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/B2-f471e27c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/B2-f471e27c/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA
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/B2-f471e27c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/B2-f471e27c/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA
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/B2-f471e27c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/B2-f471e27c/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA
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/B2-f471e27c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/B2-f471e27c/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA
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/B2-f471e27c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/B2-f471e27c/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA
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/B2-f471e27c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/B2-f471e27c/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA
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/B2-f471e27c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/B2-f471e27c/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA
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/B2-f471e27c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/B2-f471e27c/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA
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/B2-f471e27c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/B2-f471e27c/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA
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/B2-f471e27c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/B2-f471e27c/inputs/seq.fa: 1
curr_seq: _UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCACUAUUUUUGCCGUCUGAGCUCUUCAAUGGUACUACAAAUCUUCAUGAUCUCAGUGAA
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: -242.146410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.146410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.146410 (E_RNA)
where:
Base-Base interactions energy: -4.411
where: short stacking energy: -4.411
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: -242.146410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.146410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.146410 (E_RNA)
where:
Base-Base interactions energy: -4.411
where: short stacking energy: -4.411
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: -242.146410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.146410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.146410 (E_RNA)
where:
Base-Base interactions energy: -4.411
where: short stacking energy: -4.411
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: -242.146410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.146410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.146410 (E_RNA)
where:
Base-Base interactions energy: -4.411
where: short stacking energy: -4.411
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: -242.146410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.146410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.146410 (E_RNA)
where:
Base-Base interactions energy: -4.411
where: short stacking energy: -4.411
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: -242.146410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.146410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.146410 (E_RNA)
where:
Base-Base interactions energy: -4.411
where: short stacking energy: -4.411
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: -242.146410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.146410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.146410 (E_RNA)
where:
Base-Base interactions energy: -4.411
where: short stacking energy: -4.411
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: -242.146410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.146410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.146410 (E_RNA)
where:
Base-Base interactions energy: -4.411
where: short stacking energy: -4.411
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: -242.146410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.146410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.146410 (E_RNA)
where:
Base-Base interactions energy: -4.411
where: short stacking energy: -4.411
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: -242.146410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.146410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.146410 (E_RNA)
where:
Base-Base interactions energy: -4.411
where: short stacking energy: -4.411
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: -328.719963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.719963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.719963 (E_RNA)
where:
Base-Base interactions energy: -142.235
where: short stacking energy: -128.632
Base-Backbone interact. energy: -0.135
local terms energy: -186.349227
where:
bonds (distance) C4'-P energy: -47.589
bonds (distance) P-C4' energy: -41.257
flat angles C4'-P-C4' energy: -37.423
flat angles P-C4'-P energy: -23.955
tors. eta vs tors. theta energy: -36.126
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: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -323.348638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.348638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.348638 (E_RNA)
where:
Base-Base interactions energy: -149.040
where: short stacking energy: -129.352
Base-Backbone interact. energy: -0.232
local terms energy: -174.076120
where:
bonds (distance) C4'-P energy: -39.884
bonds (distance) P-C4' energy: -36.666
flat angles C4'-P-C4' energy: -41.916
flat angles P-C4'-P energy: -25.678
tors. eta vs tors. theta energy: -29.933
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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -296.830905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.830905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.830905 (E_RNA)
where:
Base-Base interactions energy: -129.016
where: short stacking energy: -117.954
Base-Backbone interact. energy: -0.283
local terms energy: -167.531320
where:
bonds (distance) C4'-P energy: -39.032
bonds (distance) P-C4' energy: -38.877
flat angles C4'-P-C4' energy: -40.267
flat angles P-C4'-P energy: -17.429
tors. eta vs tors. theta energy: -31.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -243.176378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.176378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.176378 (E_RNA)
where:
Base-Base interactions energy: -107.055
where: short stacking energy: -96.323
Base-Backbone interact. energy: -0.359
local terms energy: -135.761881
where:
bonds (distance) C4'-P energy: -35.830
bonds (distance) P-C4' energy: -44.647
flat angles C4'-P-C4' energy: -32.995
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -11.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -252.844380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.844380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.844380 (E_RNA)
where:
Base-Base interactions energy: -98.620
where: short stacking energy: -90.436
Base-Backbone interact. energy: -0.377
local terms energy: -153.847148
where:
bonds (distance) C4'-P energy: -37.566
bonds (distance) P-C4' energy: -39.153
flat angles C4'-P-C4' energy: -35.593
flat angles P-C4'-P energy: -24.231
tors. eta vs tors. theta energy: -17.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -252.563463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.563463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.563463 (E_RNA)
where:
Base-Base interactions energy: -119.841
where: short stacking energy: -73.744
Base-Backbone interact. energy: 2.177
local terms energy: -134.900086
where:
bonds (distance) C4'-P energy: -38.889
bonds (distance) P-C4' energy: -36.972
flat angles C4'-P-C4' energy: -32.295
flat angles P-C4'-P energy: -25.145
tors. eta vs tors. theta energy: -1.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -244.410962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.410962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.410962 (E_RNA)
where:
Base-Base interactions energy: -13.750
where: short stacking energy: -13.750
Base-Backbone interact. energy: -0.000
local terms energy: -230.660502
where:
bonds (distance) C4'-P energy: -55.731
bonds (distance) P-C4' energy: -54.261
flat angles C4'-P-C4' energy: -43.959
flat angles P-C4'-P energy: -50.142
tors. eta vs tors. theta energy: -26.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -241.821936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.821936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.821936 (E_RNA)
where:
Base-Base interactions energy: -11.794
where: short stacking energy: -11.794
Base-Backbone interact. energy: -0.000
local terms energy: -230.027697
where:
bonds (distance) C4'-P energy: -54.742
bonds (distance) P-C4' energy: -54.257
flat angles C4'-P-C4' energy: -44.332
flat angles P-C4'-P energy: -50.078
tors. eta vs tors. theta energy: -26.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -244.042522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.042522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.042522 (E_RNA)
where:
Base-Base interactions energy: -13.817
where: short stacking energy: -13.817
Base-Backbone interact. energy: -0.000
local terms energy: -230.225731
where:
bonds (distance) C4'-P energy: -55.375
bonds (distance) P-C4' energy: -54.261
flat angles C4'-P-C4' energy: -44.047
flat angles P-C4'-P energy: -49.909
tors. eta vs tors. theta energy: -26.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -243.227090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.227090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.227090 (E_RNA)
where:
Base-Base interactions energy: -13.612
where: short stacking energy: -13.612
Base-Backbone interact. energy: -0.000
local terms energy: -229.615178
where:
bonds (distance) C4'-P energy: -54.850
bonds (distance) P-C4' energy: -54.257
flat angles C4'-P-C4' energy: -44.170
flat angles P-C4'-P energy: -49.853
tors. eta vs tors. theta energy: -26.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -373.758212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.758212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.758212 (E_RNA)
where:
Base-Base interactions energy: -200.206
where: short stacking energy: -118.619
Base-Backbone interact. energy: -0.420
local terms energy: -173.132221
where:
bonds (distance) C4'-P energy: -39.722
bonds (distance) P-C4' energy: -45.549
flat angles C4'-P-C4' energy: -45.222
flat angles P-C4'-P energy: -17.763
tors. eta vs tors. theta energy: -24.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -346.604937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.604937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.604937 (E_RNA)
where:
Base-Base interactions energy: -168.208
where: short stacking energy: -123.741
Base-Backbone interact. energy: -0.718
local terms energy: -177.679106
where:
bonds (distance) C4'-P energy: -35.436
bonds (distance) P-C4' energy: -43.265
flat angles C4'-P-C4' energy: -42.472
flat angles P-C4'-P energy: -25.820
tors. eta vs tors. theta energy: -30.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -341.670663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.670663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.670663 (E_RNA)
where:
Base-Base interactions energy: -162.208
where: short stacking energy: -109.744
Base-Backbone interact. energy: -1.676
local terms energy: -177.786594
where:
bonds (distance) C4'-P energy: -32.197
bonds (distance) P-C4' energy: -40.807
flat angles C4'-P-C4' energy: -47.221
flat angles P-C4'-P energy: -26.966
tors. eta vs tors. theta energy: -30.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -347.487004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.487004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.487004 (E_RNA)
where:
Base-Base interactions energy: -175.859
where: short stacking energy: -97.813
Base-Backbone interact. energy: -1.011
local terms energy: -170.617019
where:
bonds (distance) C4'-P energy: -34.727
bonds (distance) P-C4' energy: -44.038
flat angles C4'-P-C4' energy: -35.317
flat angles P-C4'-P energy: -31.038
tors. eta vs tors. theta energy: -25.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -314.885905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.885905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.885905 (E_RNA)
where:
Base-Base interactions energy: -174.325
where: short stacking energy: -108.256
Base-Backbone interact. energy: 2.015
local terms energy: -142.576023
where:
bonds (distance) C4'-P energy: -27.779
bonds (distance) P-C4' energy: -41.270
flat angles C4'-P-C4' energy: -36.494
flat angles P-C4'-P energy: -20.494
tors. eta vs tors. theta energy: -16.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -298.474914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.474914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.474914 (E_RNA)
where:
Base-Base interactions energy: -168.609
where: short stacking energy: -85.817
Base-Backbone interact. energy: -1.746
local terms energy: -128.120356
where:
bonds (distance) C4'-P energy: -26.816
bonds (distance) P-C4' energy: -42.661
flat angles C4'-P-C4' energy: -36.597
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -6.782
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: 3
Temperature: 1.200000
Total energy: -257.035569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.035569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.035569 (E_RNA)
where:
Base-Base interactions energy: -113.123
where: short stacking energy: -76.067
Base-Backbone interact. energy: 1.781
local terms energy: -145.693504
where:
bonds (distance) C4'-P energy: -35.905
bonds (distance) P-C4' energy: -45.741
flat angles C4'-P-C4' energy: -41.226
flat angles P-C4'-P energy: -14.891
tors. eta vs tors. theta energy: -7.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -208.063848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.063848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.063848 (E_RNA)
where:
Base-Base interactions energy: -74.274
where: short stacking energy: -72.962
Base-Backbone interact. energy: -0.585
local terms energy: -133.204855
where:
bonds (distance) C4'-P energy: -29.580
bonds (distance) P-C4' energy: -40.552
flat angles C4'-P-C4' energy: -31.690
flat angles P-C4'-P energy: -24.524
tors. eta vs tors. theta energy: -6.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -183.745480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.745480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.745480 (E_RNA)
where:
Base-Base interactions energy: -63.718
where: short stacking energy: -57.619
Base-Backbone interact. energy: 0.627
local terms energy: -120.653844
where:
bonds (distance) C4'-P energy: -32.977
bonds (distance) P-C4' energy: -33.696
flat angles C4'-P-C4' energy: -28.520
flat angles P-C4'-P energy: -22.047
tors. eta vs tors. theta energy: -3.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -165.951737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.951737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.951737 (E_RNA)
where:
Base-Base interactions energy: -48.253
where: short stacking energy: -36.582
Base-Backbone interact. energy: -0.252
local terms energy: -117.446465
where:
bonds (distance) C4'-P energy: -36.199
bonds (distance) P-C4' energy: -33.818
flat angles C4'-P-C4' energy: -20.139
flat angles P-C4'-P energy: -20.005
tors. eta vs tors. theta energy: -7.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -451.476807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.476807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.476807 (E_RNA)
where:
Base-Base interactions energy: -247.839
where: short stacking energy: -145.140
Base-Backbone interact. energy: -0.887
local terms energy: -202.750828
where:
bonds (distance) C4'-P energy: -48.119
bonds (distance) P-C4' energy: -38.943
flat angles C4'-P-C4' energy: -45.610
flat angles P-C4'-P energy: -28.552
tors. eta vs tors. theta energy: -41.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -360.047342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.047342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.047342 (E_RNA)
where:
Base-Base interactions energy: -181.121
where: short stacking energy: -123.255
Base-Backbone interact. energy: 2.064
local terms energy: -180.990444
where:
bonds (distance) C4'-P energy: -36.780
bonds (distance) P-C4' energy: -45.571
flat angles C4'-P-C4' energy: -39.166
flat angles P-C4'-P energy: -25.145
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: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -361.048238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.048238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.048238 (E_RNA)
where:
Base-Base interactions energy: -191.770
where: short stacking energy: -113.933
Base-Backbone interact. energy: -0.488
local terms energy: -168.789745
where:
bonds (distance) C4'-P energy: -43.384
bonds (distance) P-C4' energy: -43.167
flat angles C4'-P-C4' energy: -28.700
flat angles P-C4'-P energy: -26.009
tors. eta vs tors. theta energy: -27.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -357.843697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.843697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.843697 (E_RNA)
where:
Base-Base interactions energy: -184.918
where: short stacking energy: -109.859
Base-Backbone interact. energy: -0.574
local terms energy: -172.351999
where:
bonds (distance) C4'-P energy: -44.289
bonds (distance) P-C4' energy: -42.822
flat angles C4'-P-C4' energy: -33.110
flat angles P-C4'-P energy: -30.029
tors. eta vs tors. theta energy: -22.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -320.423060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.423060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.423060 (E_RNA)
where:
Base-Base interactions energy: -196.564
where: short stacking energy: -88.183
Base-Backbone interact. energy: -2.063
local terms energy: -121.796775
where:
bonds (distance) C4'-P energy: -38.717
bonds (distance) P-C4' energy: -29.665
flat angles C4'-P-C4' energy: -29.541
flat angles P-C4'-P energy: -18.108
tors. eta vs tors. theta energy: -5.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -299.074475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.074475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.074475 (E_RNA)
where:
Base-Base interactions energy: -156.471
where: short stacking energy: -81.091
Base-Backbone interact. energy: -0.425
local terms energy: -142.178778
where:
bonds (distance) C4'-P energy: -33.828
bonds (distance) P-C4' energy: -37.451
flat angles C4'-P-C4' energy: -40.484
flat angles P-C4'-P energy: -20.234
tors. eta vs tors. theta energy: -10.182
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: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -211.230241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.230241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.230241 (E_RNA)
where:
Base-Base interactions energy: -78.577
where: short stacking energy: -77.815
Base-Backbone interact. energy: 0.913
local terms energy: -133.565991
where:
bonds (distance) C4'-P energy: -34.093
bonds (distance) P-C4' energy: -30.179
flat angles C4'-P-C4' energy: -37.550
flat angles P-C4'-P energy: -22.381
tors. eta vs tors. theta energy: -9.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -224.991762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.991762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.991762 (E_RNA)
where:
Base-Base interactions energy: -89.777
where: short stacking energy: -65.890
Base-Backbone interact. energy: -1.899
local terms energy: -133.315922
where:
bonds (distance) C4'-P energy: -30.026
bonds (distance) P-C4' energy: -40.685
flat angles C4'-P-C4' energy: -24.199
flat angles P-C4'-P energy: -26.027
tors. eta vs tors. theta energy: -12.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -172.482076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.482076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.482076 (E_RNA)
where:
Base-Base interactions energy: -56.765
where: short stacking energy: -54.819
Base-Backbone interact. energy: 2.305
local terms energy: -118.022568
where:
bonds (distance) C4'-P energy: -27.441
bonds (distance) P-C4' energy: -37.830
flat angles C4'-P-C4' energy: -32.847
flat angles P-C4'-P energy: -16.069
tors. eta vs tors. theta energy: -3.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -159.423842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.423842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.423842 (E_RNA)
where:
Base-Base interactions energy: -64.899
where: short stacking energy: -45.605
Base-Backbone interact. energy: -0.271
local terms energy: -94.253563
where:
bonds (distance) C4'-P energy: -26.432
bonds (distance) P-C4' energy: -37.358
flat angles C4'-P-C4' energy: -21.584
flat angles P-C4'-P energy: -17.472
tors. eta vs tors. theta energy: 8.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -458.177647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.177647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.177647 (E_RNA)
where:
Base-Base interactions energy: -277.650
where: short stacking energy: -131.537
Base-Backbone interact. energy: -0.790
local terms energy: -179.736729
where:
bonds (distance) C4'-P energy: -38.163
bonds (distance) P-C4' energy: -39.330
flat angles C4'-P-C4' energy: -36.523
flat angles P-C4'-P energy: -26.695
tors. eta vs tors. theta energy: -39.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -404.591662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.591662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.591662 (E_RNA)
where:
Base-Base interactions energy: -225.378
where: short stacking energy: -131.646
Base-Backbone interact. energy: -1.194
local terms energy: -178.019606
where:
bonds (distance) C4'-P energy: -38.566
bonds (distance) P-C4' energy: -40.480
flat angles C4'-P-C4' energy: -38.926
flat angles P-C4'-P energy: -28.291
tors. eta vs tors. theta energy: -31.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -350.327369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.327369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.327369 (E_RNA)
where:
Base-Base interactions energy: -200.032
where: short stacking energy: -97.136
Base-Backbone interact. energy: -0.923
local terms energy: -149.372339
where:
bonds (distance) C4'-P energy: -36.226
bonds (distance) P-C4' energy: -44.387
flat angles C4'-P-C4' energy: -29.814
flat angles P-C4'-P energy: -22.082
tors. eta vs tors. theta energy: -16.863
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: 5
Temperature: 1.050000
Total energy: -386.645615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.645615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.645615 (E_RNA)
where:
Base-Base interactions energy: -222.257
where: short stacking energy: -142.812
Base-Backbone interact. energy: -0.413
local terms energy: -163.975273
where:
bonds (distance) C4'-P energy: -32.260
bonds (distance) P-C4' energy: -40.983
flat angles C4'-P-C4' energy: -34.544
flat angles P-C4'-P energy: -16.744
tors. eta vs tors. theta energy: -39.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -344.423637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.423637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.423637 (E_RNA)
where:
Base-Base interactions energy: -199.140
where: short stacking energy: -91.530
Base-Backbone interact. energy: -0.497
local terms energy: -144.787002
where:
bonds (distance) C4'-P energy: -34.470
bonds (distance) P-C4' energy: -31.617
flat angles C4'-P-C4' energy: -37.965
flat angles P-C4'-P energy: -26.819
tors. eta vs tors. theta energy: -13.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -308.700207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.700207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.700207 (E_RNA)
where:
Base-Base interactions energy: -156.887
where: short stacking energy: -90.782
Base-Backbone interact. energy: 0.018
local terms energy: -151.831373
where:
bonds (distance) C4'-P energy: -35.568
bonds (distance) P-C4' energy: -42.643
flat angles C4'-P-C4' energy: -34.510
flat angles P-C4'-P energy: -20.509
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -218.810784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.810784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.810784 (E_RNA)
where:
Base-Base interactions energy: -75.596
where: short stacking energy: -64.823
Base-Backbone interact. energy: -1.204
local terms energy: -142.011376
where:
bonds (distance) C4'-P energy: -43.234
bonds (distance) P-C4' energy: -41.891
flat angles C4'-P-C4' energy: -36.225
flat angles P-C4'-P energy: -13.479
tors. eta vs tors. theta energy: -7.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -207.406922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.406922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.406922 (E_RNA)
where:
Base-Base interactions energy: -79.357
where: short stacking energy: -69.057
Base-Backbone interact. energy: -1.900
local terms energy: -126.149851
where:
bonds (distance) C4'-P energy: -28.199
bonds (distance) P-C4' energy: -38.338
flat angles C4'-P-C4' energy: -34.674
flat angles P-C4'-P energy: -19.706
tors. eta vs tors. theta energy: -5.233
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: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -198.368361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.368361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.368361 (E_RNA)
where:
Base-Base interactions energy: -89.421
where: short stacking energy: -49.422
Base-Backbone interact. energy: 1.181
local terms energy: -110.128850
where:
bonds (distance) C4'-P energy: -32.011
bonds (distance) P-C4' energy: -34.340
flat angles C4'-P-C4' energy: -24.750
flat angles P-C4'-P energy: -19.205
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: 5
Temperature: 1.350000
Total energy: -181.882746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.882746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.882746 (E_RNA)
where:
Base-Base interactions energy: -75.731
where: short stacking energy: -70.843
Base-Backbone interact. energy: 1.785
local terms energy: -107.936991
where:
bonds (distance) C4'-P energy: -32.064
bonds (distance) P-C4' energy: -28.380
flat angles C4'-P-C4' energy: -29.782
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -1.486
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: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -466.654141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.654141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.654141 (E_RNA)
where:
Base-Base interactions energy: -277.174
where: short stacking energy: -136.175
Base-Backbone interact. energy: -1.417
local terms energy: -188.063062
where:
bonds (distance) C4'-P energy: -40.408
bonds (distance) P-C4' energy: -42.959
flat angles C4'-P-C4' energy: -43.354
flat angles P-C4'-P energy: -30.649
tors. eta vs tors. theta energy: -30.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -444.711641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.711641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.711641 (E_RNA)
where:
Base-Base interactions energy: -265.984
where: short stacking energy: -139.422
Base-Backbone interact. energy: -1.781
local terms energy: -176.946534
where:
bonds (distance) C4'-P energy: -36.755
bonds (distance) P-C4' energy: -44.427
flat angles C4'-P-C4' energy: -41.918
flat angles P-C4'-P energy: -23.314
tors. eta vs tors. theta energy: -30.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -415.608532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.608532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.608532 (E_RNA)
where:
Base-Base interactions energy: -241.085
where: short stacking energy: -141.648
Base-Backbone interact. energy: -1.287
local terms energy: -173.236738
where:
bonds (distance) C4'-P energy: -40.604
bonds (distance) P-C4' energy: -30.077
flat angles C4'-P-C4' energy: -34.081
flat angles P-C4'-P energy: -30.748
tors. eta vs tors. theta energy: -37.727
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: 2
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -331.584633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.584633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.584633 (E_RNA)
where:
Base-Base interactions energy: -179.596
where: short stacking energy: -90.056
Base-Backbone interact. energy: -1.559
local terms energy: -150.428903
where:
bonds (distance) C4'-P energy: -38.445
bonds (distance) P-C4' energy: -37.525
flat angles C4'-P-C4' energy: -35.730
flat angles P-C4'-P energy: -23.018
tors. eta vs tors. theta energy: -15.711
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: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -367.228882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.228882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.228882 (E_RNA)
where:
Base-Base interactions energy: -203.607
where: short stacking energy: -107.030
Base-Backbone interact. energy: -0.913
local terms energy: -162.708642
where:
bonds (distance) C4'-P energy: -43.929
bonds (distance) P-C4' energy: -39.085
flat angles C4'-P-C4' energy: -34.258
flat angles P-C4'-P energy: -17.991
tors. eta vs tors. theta energy: -27.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -367.511761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.511761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.511761 (E_RNA)
where:
Base-Base interactions energy: -224.297
where: short stacking energy: -114.850
Base-Backbone interact. energy: -0.797
local terms energy: -142.418143
where:
bonds (distance) C4'-P energy: -37.868
bonds (distance) P-C4' energy: -32.984
flat angles C4'-P-C4' energy: -30.866
flat angles P-C4'-P energy: -20.226
tors. eta vs tors. theta energy: -20.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -214.481923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.481923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.481923 (E_RNA)
where:
Base-Base interactions energy: -88.574
where: short stacking energy: -54.889
Base-Backbone interact. energy: -0.816
local terms energy: -125.091993
where:
bonds (distance) C4'-P energy: -36.464
bonds (distance) P-C4' energy: -34.368
flat angles C4'-P-C4' energy: -25.988
flat angles P-C4'-P energy: -22.176
tors. eta vs tors. theta energy: -6.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -198.681169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.681169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.681169 (E_RNA)
where:
Base-Base interactions energy: -82.035
where: short stacking energy: -81.133
Base-Backbone interact. energy: 3.262
local terms energy: -119.908429
where:
bonds (distance) C4'-P energy: -33.216
bonds (distance) P-C4' energy: -37.594
flat angles C4'-P-C4' energy: -19.626
flat angles P-C4'-P energy: -20.141
tors. eta vs tors. theta energy: -9.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -192.468887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.468887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.468887 (E_RNA)
where:
Base-Base interactions energy: -67.760
where: short stacking energy: -48.861
Base-Backbone interact. energy: -0.632
local terms energy: -124.077387
where:
bonds (distance) C4'-P energy: -38.524
bonds (distance) P-C4' energy: -33.762
flat angles C4'-P-C4' energy: -31.101
flat angles P-C4'-P energy: -19.905
tors. eta vs tors. theta energy: -0.785
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: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -180.461869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.461869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.461869 (E_RNA)
where:
Base-Base interactions energy: -70.859
where: short stacking energy: -53.765
Base-Backbone interact. energy: -0.657
local terms energy: -108.945170
where:
bonds (distance) C4'-P energy: -40.580
bonds (distance) P-C4' energy: -26.274
flat angles C4'-P-C4' energy: -35.668
flat angles P-C4'-P energy: -15.065
tors. eta vs tors. theta energy: 8.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -502.814512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.814512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.814512 (E_RNA)
where:
Base-Base interactions energy: -325.693
where: short stacking energy: -153.402
Base-Backbone interact. energy: -2.232
local terms energy: -174.889760
where:
bonds (distance) C4'-P energy: -38.509
bonds (distance) P-C4' energy: -36.500
flat angles C4'-P-C4' energy: -40.420
flat angles P-C4'-P energy: -29.725
tors. eta vs tors. theta energy: -29.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -453.461205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.461205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.461205 (E_RNA)
where:
Base-Base interactions energy: -282.632
where: short stacking energy: -149.500
Base-Backbone interact. energy: 1.370
local terms energy: -172.199020
where:
bonds (distance) C4'-P energy: -46.412
bonds (distance) P-C4' energy: -34.479
flat angles C4'-P-C4' energy: -36.778
flat angles P-C4'-P energy: -25.509
tors. eta vs tors. theta energy: -29.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -439.955009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.955009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.955009 (E_RNA)
where:
Base-Base interactions energy: -254.295
where: short stacking energy: -135.083
Base-Backbone interact. energy: -1.971
local terms energy: -183.688909
where:
bonds (distance) C4'-P energy: -38.410
bonds (distance) P-C4' energy: -38.407
flat angles C4'-P-C4' energy: -43.330
flat angles P-C4'-P energy: -28.307
tors. eta vs tors. theta energy: -35.235
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: 2
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -368.192534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.192534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.192534 (E_RNA)
where:
Base-Base interactions energy: -206.027
where: short stacking energy: -104.443
Base-Backbone interact. energy: -0.676
local terms energy: -161.489012
where:
bonds (distance) C4'-P energy: -38.357
bonds (distance) P-C4' energy: -39.193
flat angles C4'-P-C4' energy: -39.006
flat angles P-C4'-P energy: -19.280
tors. eta vs tors. theta energy: -25.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -360.589341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.589341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.589341 (E_RNA)
where:
Base-Base interactions energy: -191.821
where: short stacking energy: -100.081
Base-Backbone interact. energy: 0.908
local terms energy: -169.676437
where:
bonds (distance) C4'-P energy: -41.222
bonds (distance) P-C4' energy: -37.303
flat angles C4'-P-C4' energy: -34.101
flat angles P-C4'-P energy: -25.874
tors. eta vs tors. theta energy: -31.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -324.130342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.130342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.130342 (E_RNA)
where:
Base-Base interactions energy: -166.950
where: short stacking energy: -80.441
Base-Backbone interact. energy: -0.722
local terms energy: -156.458972
where:
bonds (distance) C4'-P energy: -44.992
bonds (distance) P-C4' energy: -32.634
flat angles C4'-P-C4' energy: -32.504
flat angles P-C4'-P energy: -28.172
tors. eta vs tors. theta energy: -18.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -209.253572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.253572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.253572 (E_RNA)
where:
Base-Base interactions energy: -86.256
where: short stacking energy: -73.854
Base-Backbone interact. energy: -0.991
local terms energy: -122.006552
where:
bonds (distance) C4'-P energy: -31.017
bonds (distance) P-C4' energy: -39.492
flat angles C4'-P-C4' energy: -28.692
flat angles P-C4'-P energy: -23.053
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: 8, replica: 7
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -223.026723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.026723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.026723 (E_RNA)
where:
Base-Base interactions energy: -113.114
where: short stacking energy: -54.262
Base-Backbone interact. energy: -0.848
local terms energy: -109.064748
where:
bonds (distance) C4'-P energy: -25.775
bonds (distance) P-C4' energy: -41.273
flat angles C4'-P-C4' energy: -31.742
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: 4.461
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: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -214.664098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.664098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.664098 (E_RNA)
where:
Base-Base interactions energy: -91.468
where: short stacking energy: -58.648
Base-Backbone interact. energy: -1.203
local terms energy: -121.993533
where:
bonds (distance) C4'-P energy: -35.507
bonds (distance) P-C4' energy: -33.562
flat angles C4'-P-C4' energy: -39.278
flat angles P-C4'-P energy: -14.366
tors. eta vs tors. theta energy: 0.719
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: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -181.923528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.923528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.923528 (E_RNA)
where:
Base-Base interactions energy: -79.514
where: short stacking energy: -57.405
Base-Backbone interact. energy: 2.434
local terms energy: -104.843791
where:
bonds (distance) C4'-P energy: -31.283
bonds (distance) P-C4' energy: -30.535
flat angles C4'-P-C4' energy: -31.607
flat angles P-C4'-P energy: -14.565
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: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -474.913554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.913554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.913554 (E_RNA)
where:
Base-Base interactions energy: -297.435
where: short stacking energy: -138.513
Base-Backbone interact. energy: -0.971
local terms energy: -176.507621
where:
bonds (distance) C4'-P energy: -37.272
bonds (distance) P-C4' energy: -42.842
flat angles C4'-P-C4' energy: -38.243
flat angles P-C4'-P energy: -31.379
tors. eta vs tors. theta energy: -26.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -449.500881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.500881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.500881 (E_RNA)
where:
Base-Base interactions energy: -275.788
where: short stacking energy: -137.843
Base-Backbone interact. energy: -0.321
local terms energy: -173.391097
where:
bonds (distance) C4'-P energy: -38.445
bonds (distance) P-C4' energy: -36.431
flat angles C4'-P-C4' energy: -38.538
flat angles P-C4'-P energy: -25.370
tors. eta vs tors. theta energy: -34.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -441.081864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.081864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.081864 (E_RNA)
where:
Base-Base interactions energy: -259.577
where: short stacking energy: -149.053
Base-Backbone interact. energy: -0.864
local terms energy: -180.641580
where:
bonds (distance) C4'-P energy: -36.443
bonds (distance) P-C4' energy: -36.742
flat angles C4'-P-C4' energy: -37.936
flat angles P-C4'-P energy: -28.190
tors. eta vs tors. theta energy: -41.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -370.859490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.859490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.859490 (E_RNA)
where:
Base-Base interactions energy: -216.353
where: short stacking energy: -109.181
Base-Backbone interact. energy: 2.176
local terms energy: -156.682354
where:
bonds (distance) C4'-P energy: -31.724
bonds (distance) P-C4' energy: -40.514
flat angles C4'-P-C4' energy: -34.283
flat angles P-C4'-P energy: -25.353
tors. eta vs tors. theta energy: -24.808
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: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -339.081709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.081709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.081709 (E_RNA)
where:
Base-Base interactions energy: -178.455
where: short stacking energy: -103.745
Base-Backbone interact. energy: 0.086
local terms energy: -160.712758
where:
bonds (distance) C4'-P energy: -38.608
bonds (distance) P-C4' energy: -39.927
flat angles C4'-P-C4' energy: -41.259
flat angles P-C4'-P energy: -22.368
tors. eta vs tors. theta energy: -18.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -345.563498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.563498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.563498 (E_RNA)
where:
Base-Base interactions energy: -211.598
where: short stacking energy: -110.897
Base-Backbone interact. energy: 0.200
local terms energy: -134.164825
where:
bonds (distance) C4'-P energy: -34.974
bonds (distance) P-C4' energy: -34.735
flat angles C4'-P-C4' energy: -35.162
flat angles P-C4'-P energy: -18.516
tors. eta vs tors. theta energy: -10.779
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: 8
Temperature: 1.200000
Total energy: -249.424031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.424031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.424031 (E_RNA)
where:
Base-Base interactions energy: -115.901
where: short stacking energy: -59.566
Base-Backbone interact. energy: -1.743
local terms energy: -131.779656
where:
bonds (distance) C4'-P energy: -39.646
bonds (distance) P-C4' energy: -39.746
flat angles C4'-P-C4' energy: -30.387
flat angles P-C4'-P energy: -24.413
tors. eta vs tors. theta energy: 2.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -200.857429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.857429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.857429 (E_RNA)
where:
Base-Base interactions energy: -103.265
where: short stacking energy: -52.095
Base-Backbone interact. energy: 8.400
local terms energy: -105.992005
where:
bonds (distance) C4'-P energy: -34.050
bonds (distance) P-C4' energy: -25.469
flat angles C4'-P-C4' energy: -27.609
flat angles P-C4'-P energy: -20.344
tors. eta vs tors. theta energy: 1.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -257.359522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.359522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.359522 (E_RNA)
where:
Base-Base interactions energy: -116.089
where: short stacking energy: -73.558
Base-Backbone interact. energy: -0.991
local terms energy: -140.279980
where:
bonds (distance) C4'-P energy: -29.252
bonds (distance) P-C4' energy: -34.221
flat angles C4'-P-C4' energy: -35.579
flat angles P-C4'-P energy: -22.194
tors. eta vs tors. theta energy: -19.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -158.937293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.937293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.937293 (E_RNA)
where:
Base-Base interactions energy: -41.842
where: short stacking energy: -38.261
Base-Backbone interact. energy: 2.568
local terms energy: -119.662465
where:
bonds (distance) C4'-P energy: -31.924
bonds (distance) P-C4' energy: -39.083
flat angles C4'-P-C4' energy: -27.750
flat angles P-C4'-P energy: -26.119
tors. eta vs tors. theta energy: 5.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -512.682171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.682171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.682171 (E_RNA)
where:
Base-Base interactions energy: -327.815
where: short stacking energy: -146.814
Base-Backbone interact. energy: 0.090
local terms energy: -184.957198
where:
bonds (distance) C4'-P energy: -39.412
bonds (distance) P-C4' energy: -38.193
flat angles C4'-P-C4' energy: -42.009
flat angles P-C4'-P energy: -31.724
tors. eta vs tors. theta energy: -33.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -454.982715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.982715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.982715 (E_RNA)
where:
Base-Base interactions energy: -261.757
where: short stacking energy: -140.386
Base-Backbone interact. energy: -1.221
local terms energy: -192.003946
where:
bonds (distance) C4'-P energy: -39.034
bonds (distance) P-C4' energy: -48.550
flat angles C4'-P-C4' energy: -37.745
flat angles P-C4'-P energy: -28.836
tors. eta vs tors. theta energy: -37.839
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: 9
Temperature: 1.000000
Total energy: -448.481576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.481576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.481576 (E_RNA)
where:
Base-Base interactions energy: -273.703
where: short stacking energy: -144.912
Base-Backbone interact. energy: -1.707
local terms energy: -173.071807
where:
bonds (distance) C4'-P energy: -41.388
bonds (distance) P-C4' energy: -37.280
flat angles C4'-P-C4' energy: -37.000
flat angles P-C4'-P energy: -20.187
tors. eta vs tors. theta energy: -37.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -406.054690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.054690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.054690 (E_RNA)
where:
Base-Base interactions energy: -240.202
where: short stacking energy: -123.366
Base-Backbone interact. energy: -0.799
local terms energy: -165.053332
where:
bonds (distance) C4'-P energy: -40.664
bonds (distance) P-C4' energy: -35.494
flat angles C4'-P-C4' energy: -35.141
flat angles P-C4'-P energy: -21.981
tors. eta vs tors. theta energy: -31.773
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: 6
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -374.132131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.132131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.132131 (E_RNA)
where:
Base-Base interactions energy: -230.531
where: short stacking energy: -121.442
Base-Backbone interact. energy: -0.237
local terms energy: -143.364730
where:
bonds (distance) C4'-P energy: -36.793
bonds (distance) P-C4' energy: -32.616
flat angles C4'-P-C4' energy: -23.431
flat angles P-C4'-P energy: -21.089
tors. eta vs tors. theta energy: -29.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -326.355504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.355504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.355504 (E_RNA)
where:
Base-Base interactions energy: -170.010
where: short stacking energy: -100.018
Base-Backbone interact. energy: -0.710
local terms energy: -155.635786
where:
bonds (distance) C4'-P energy: -40.011
bonds (distance) P-C4' energy: -32.793
flat angles C4'-P-C4' energy: -33.702
flat angles P-C4'-P energy: -26.808
tors. eta vs tors. theta energy: -22.321
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: 9
Temperature: 1.200000
Total energy: -241.501759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.501759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.501759 (E_RNA)
where:
Base-Base interactions energy: -108.939
where: short stacking energy: -75.496
Base-Backbone interact. energy: -0.126
local terms energy: -132.436245
where:
bonds (distance) C4'-P energy: -33.441
bonds (distance) P-C4' energy: -29.133
flat angles C4'-P-C4' energy: -40.150
flat angles P-C4'-P energy: -24.032
tors. eta vs tors. theta energy: -5.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -279.945029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.945029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.945029 (E_RNA)
where:
Base-Base interactions energy: -145.052
where: short stacking energy: -82.806
Base-Backbone interact. energy: 0.472
local terms energy: -135.364434
where:
bonds (distance) C4'-P energy: -32.122
bonds (distance) P-C4' energy: -37.914
flat angles C4'-P-C4' energy: -34.778
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -16.497
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: 9, replica: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -190.897558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.897558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.897558 (E_RNA)
where:
Base-Base interactions energy: -79.296
where: short stacking energy: -49.062
Base-Backbone interact. energy: 0.394
local terms energy: -111.995082
where:
bonds (distance) C4'-P energy: -38.697
bonds (distance) P-C4' energy: -31.485
flat angles C4'-P-C4' energy: -28.280
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -0.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -167.825570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.825570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.825570 (E_RNA)
where:
Base-Base interactions energy: -65.450
where: short stacking energy: -49.578
Base-Backbone interact. energy: -0.562
local terms energy: -101.814011
where:
bonds (distance) C4'-P energy: -35.611
bonds (distance) P-C4' energy: -27.733
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -25.590
tors. eta vs tors. theta energy: 0.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -523.421714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.421714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.421714 (E_RNA)
where:
Base-Base interactions energy: -337.481
where: short stacking energy: -150.757
Base-Backbone interact. energy: 2.990
local terms energy: -188.930923
where:
bonds (distance) C4'-P energy: -38.559
bonds (distance) P-C4' energy: -42.152
flat angles C4'-P-C4' energy: -40.398
flat angles P-C4'-P energy: -29.828
tors. eta vs tors. theta energy: -37.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -449.009812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.009812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.009812 (E_RNA)
where:
Base-Base interactions energy: -265.789
where: short stacking energy: -150.714
Base-Backbone interact. energy: 1.488
local terms energy: -184.709179
where:
bonds (distance) C4'-P energy: -40.391
bonds (distance) P-C4' energy: -38.432
flat angles C4'-P-C4' energy: -34.648
flat angles P-C4'-P energy: -27.555
tors. eta vs tors. theta energy: -43.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -458.081665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.081665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.081665 (E_RNA)
where:
Base-Base interactions energy: -269.832
where: short stacking energy: -142.153
Base-Backbone interact. energy: -1.097
local terms energy: -187.152021
where:
bonds (distance) C4'-P energy: -39.186
bonds (distance) P-C4' energy: -45.066
flat angles C4'-P-C4' energy: -40.355
flat angles P-C4'-P energy: -20.330
tors. eta vs tors. theta energy: -42.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -400.776513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.776513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.776513 (E_RNA)
where:
Base-Base interactions energy: -237.275
where: short stacking energy: -114.942
Base-Backbone interact. energy: 1.290
local terms energy: -164.792118
where:
bonds (distance) C4'-P energy: -45.452
bonds (distance) P-C4' energy: -28.489
flat angles C4'-P-C4' energy: -39.081
flat angles P-C4'-P energy: -27.452
tors. eta vs tors. theta energy: -24.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -376.726263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.726263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.726263 (E_RNA)
where:
Base-Base interactions energy: -227.721
where: short stacking energy: -108.588
Base-Backbone interact. energy: -0.359
local terms energy: -148.645780
where:
bonds (distance) C4'-P energy: -35.338
bonds (distance) P-C4' energy: -34.477
flat angles C4'-P-C4' energy: -35.523
flat angles P-C4'-P energy: -17.282
tors. eta vs tors. theta energy: -26.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -332.240130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.240130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.240130 (E_RNA)
where:
Base-Base interactions energy: -174.693
where: short stacking energy: -101.338
Base-Backbone interact. energy: -1.062
local terms energy: -156.485974
where:
bonds (distance) C4'-P energy: -42.030
bonds (distance) P-C4' energy: -33.466
flat angles C4'-P-C4' energy: -35.553
flat angles P-C4'-P energy: -24.016
tors. eta vs tors. theta energy: -21.420
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: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -287.630168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.630168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.630168 (E_RNA)
where:
Base-Base interactions energy: -144.362
where: short stacking energy: -79.575
Base-Backbone interact. energy: 1.119
local terms energy: -144.386868
where:
bonds (distance) C4'-P energy: -39.387
bonds (distance) P-C4' energy: -41.538
flat angles C4'-P-C4' energy: -25.041
flat angles P-C4'-P energy: -22.368
tors. eta vs tors. theta energy: -16.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -207.716189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.716189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.716189 (E_RNA)
where:
Base-Base interactions energy: -83.907
where: short stacking energy: -47.122
Base-Backbone interact. energy: -0.201
local terms energy: -123.608350
where:
bonds (distance) C4'-P energy: -34.471
bonds (distance) P-C4' energy: -35.034
flat angles C4'-P-C4' energy: -33.653
flat angles P-C4'-P energy: -21.446
tors. eta vs tors. theta energy: 0.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -171.916499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.916499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.916499 (E_RNA)
where:
Base-Base interactions energy: -70.257
where: short stacking energy: -53.831
Base-Backbone interact. energy: -1.425
local terms energy: -100.234046
where:
bonds (distance) C4'-P energy: -35.011
bonds (distance) P-C4' energy: -38.714
flat angles C4'-P-C4' energy: -21.513
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: 4.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -180.267854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.267854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.267854 (E_RNA)
where:
Base-Base interactions energy: -62.571
where: short stacking energy: -50.983
Base-Backbone interact. energy: -0.163
local terms energy: -117.533779
where:
bonds (distance) C4'-P energy: -39.101
bonds (distance) P-C4' energy: -31.168
flat angles C4'-P-C4' energy: -30.447
flat angles P-C4'-P energy: -22.584
tors. eta vs tors. theta energy: 5.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -523.002716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.002716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.002716 (E_RNA)
where:
Base-Base interactions energy: -334.572
where: short stacking energy: -143.482
Base-Backbone interact. energy: -1.384
local terms energy: -187.046698
where:
bonds (distance) C4'-P energy: -35.629
bonds (distance) P-C4' energy: -47.206
flat angles C4'-P-C4' energy: -39.020
flat angles P-C4'-P energy: -24.657
tors. eta vs tors. theta energy: -40.534
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: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -461.841656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.841656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.841656 (E_RNA)
where:
Base-Base interactions energy: -280.578
where: short stacking energy: -154.024
Base-Backbone interact. energy: -1.121
local terms energy: -180.141736
where:
bonds (distance) C4'-P energy: -27.238
bonds (distance) P-C4' energy: -43.279
flat angles C4'-P-C4' energy: -36.009
flat angles P-C4'-P energy: -25.998
tors. eta vs tors. theta energy: -47.618
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: 11
Temperature: 1.000000
Total energy: -441.529677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.529677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.529677 (E_RNA)
where:
Base-Base interactions energy: -260.403
where: short stacking energy: -151.171
Base-Backbone interact. energy: -2.135
local terms energy: -178.990936
where:
bonds (distance) C4'-P energy: -40.085
bonds (distance) P-C4' energy: -39.687
flat angles C4'-P-C4' energy: -37.079
flat angles P-C4'-P energy: -18.904
tors. eta vs tors. theta energy: -43.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -435.032238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.032238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.032238 (E_RNA)
where:
Base-Base interactions energy: -266.939
where: short stacking energy: -134.819
Base-Backbone interact. energy: -0.331
local terms energy: -167.762017
where:
bonds (distance) C4'-P energy: -38.002
bonds (distance) P-C4' energy: -39.277
flat angles C4'-P-C4' energy: -37.035
flat angles P-C4'-P energy: -23.437
tors. eta vs tors. theta energy: -30.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -407.835030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.835030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.835030 (E_RNA)
where:
Base-Base interactions energy: -237.618
where: short stacking energy: -117.258
Base-Backbone interact. energy: -1.547
local terms energy: -168.670876
where:
bonds (distance) C4'-P energy: -37.678
bonds (distance) P-C4' energy: -43.988
flat angles C4'-P-C4' energy: -41.069
flat angles P-C4'-P energy: -25.212
tors. eta vs tors. theta energy: -20.724
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: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -320.453350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.453350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.453350 (E_RNA)
where:
Base-Base interactions energy: -173.586
where: short stacking energy: -91.941
Base-Backbone interact. energy: -0.016
local terms energy: -146.851592
where:
bonds (distance) C4'-P energy: -37.451
bonds (distance) P-C4' energy: -36.248
flat angles C4'-P-C4' energy: -37.741
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -22.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -265.342851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.342851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.342851 (E_RNA)
where:
Base-Base interactions energy: -128.151
where: short stacking energy: -78.233
Base-Backbone interact. energy: 0.087
local terms energy: -137.278891
where:
bonds (distance) C4'-P energy: -34.875
bonds (distance) P-C4' energy: -40.323
flat angles C4'-P-C4' energy: -21.364
flat angles P-C4'-P energy: -20.398
tors. eta vs tors. theta energy: -20.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -196.495217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.495217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.495217 (E_RNA)
where:
Base-Base interactions energy: -73.727
where: short stacking energy: -70.225
Base-Backbone interact. energy: -0.599
local terms energy: -122.168727
where:
bonds (distance) C4'-P energy: -31.554
bonds (distance) P-C4' energy: -36.530
flat angles C4'-P-C4' energy: -23.702
flat angles P-C4'-P energy: -28.639
tors. eta vs tors. theta energy: -1.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -185.723827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.723827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.723827 (E_RNA)
where:
Base-Base interactions energy: -72.122
where: short stacking energy: -56.438
Base-Backbone interact. energy: 0.318
local terms energy: -113.919473
where:
bonds (distance) C4'-P energy: -36.361
bonds (distance) P-C4' energy: -30.676
flat angles C4'-P-C4' energy: -31.786
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -5.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -166.860030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.860030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.860030 (E_RNA)
where:
Base-Base interactions energy: -50.083
where: short stacking energy: -51.298
Base-Backbone interact. energy: -0.866
local terms energy: -115.910862
where:
bonds (distance) C4'-P energy: -37.761
bonds (distance) P-C4' energy: -36.412
flat angles C4'-P-C4' energy: -28.657
flat angles P-C4'-P energy: -15.608
tors. eta vs tors. theta energy: 2.527
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: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -526.350232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.350232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.350232 (E_RNA)
where:
Base-Base interactions energy: -333.738
where: short stacking energy: -145.791
Base-Backbone interact. energy: -1.173
local terms energy: -191.439207
where:
bonds (distance) C4'-P energy: -45.407
bonds (distance) P-C4' energy: -47.644
flat angles C4'-P-C4' energy: -31.058
flat angles P-C4'-P energy: -25.844
tors. eta vs tors. theta energy: -41.486
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: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -446.149889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.149889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.149889 (E_RNA)
where:
Base-Base interactions energy: -261.708
where: short stacking energy: -155.399
Base-Backbone interact. energy: -0.255
local terms energy: -184.186786
where:
bonds (distance) C4'-P energy: -37.926
bonds (distance) P-C4' energy: -38.048
flat angles C4'-P-C4' energy: -37.625
flat angles P-C4'-P energy: -25.074
tors. eta vs tors. theta energy: -45.513
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: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -454.398588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.398588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.398588 (E_RNA)
where:
Base-Base interactions energy: -276.152
where: short stacking energy: -129.985
Base-Backbone interact. energy: 1.528
local terms energy: -179.774747
where:
bonds (distance) C4'-P energy: -33.487
bonds (distance) P-C4' energy: -45.472
flat angles C4'-P-C4' energy: -39.792
flat angles P-C4'-P energy: -27.020
tors. eta vs tors. theta energy: -34.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -420.658924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.658924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.658924 (E_RNA)
where:
Base-Base interactions energy: -249.678
where: short stacking energy: -145.067
Base-Backbone interact. energy: -0.569
local terms energy: -170.411746
where:
bonds (distance) C4'-P energy: -33.802
bonds (distance) P-C4' energy: -35.460
flat angles C4'-P-C4' energy: -40.592
flat angles P-C4'-P energy: -21.926
tors. eta vs tors. theta energy: -38.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -381.283410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.283410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.283410 (E_RNA)
where:
Base-Base interactions energy: -233.649
where: short stacking energy: -99.598
Base-Backbone interact. energy: 0.293
local terms energy: -147.927185
where:
bonds (distance) C4'-P energy: -35.741
bonds (distance) P-C4' energy: -41.223
flat angles C4'-P-C4' energy: -35.933
flat angles P-C4'-P energy: -21.131
tors. eta vs tors. theta energy: -13.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -338.176712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.176712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.176712 (E_RNA)
where:
Base-Base interactions energy: -207.880
where: short stacking energy: -90.552
Base-Backbone interact. energy: -0.680
local terms energy: -129.616744
where:
bonds (distance) C4'-P energy: -27.603
bonds (distance) P-C4' energy: -36.391
flat angles C4'-P-C4' energy: -28.666
flat angles P-C4'-P energy: -20.782
tors. eta vs tors. theta energy: -16.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -283.363252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.363252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.363252 (E_RNA)
where:
Base-Base interactions energy: -142.792
where: short stacking energy: -91.538
Base-Backbone interact. energy: -0.221
local terms energy: -140.350641
where:
bonds (distance) C4'-P energy: -29.301
bonds (distance) P-C4' energy: -28.334
flat angles C4'-P-C4' energy: -36.705
flat angles P-C4'-P energy: -23.691
tors. eta vs tors. theta energy: -22.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -206.344719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.344719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.344719 (E_RNA)
where:
Base-Base interactions energy: -98.599
where: short stacking energy: -46.704
Base-Backbone interact. energy: -2.389
local terms energy: -105.356208
where:
bonds (distance) C4'-P energy: -31.562
bonds (distance) P-C4' energy: -41.114
flat angles C4'-P-C4' energy: -35.814
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: 12.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -182.899517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.899517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.899517 (E_RNA)
where:
Base-Base interactions energy: -64.770
where: short stacking energy: -50.228
Base-Backbone interact. energy: 0.145
local terms energy: -118.274132
where:
bonds (distance) C4'-P energy: -37.286
bonds (distance) P-C4' energy: -36.074
flat angles C4'-P-C4' energy: -26.263
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -4.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -170.533849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.533849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.533849 (E_RNA)
where:
Base-Base interactions energy: -67.617
where: short stacking energy: -36.317
Base-Backbone interact. energy: -1.039
local terms energy: -101.878354
where:
bonds (distance) C4'-P energy: -31.906
bonds (distance) P-C4' energy: -40.298
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -22.012
tors. eta vs tors. theta energy: 8.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -563.954255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.954255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.954255 (E_RNA)
where:
Base-Base interactions energy: -354.702
where: short stacking energy: -165.424
Base-Backbone interact. energy: -0.964
local terms energy: -208.288639
where:
bonds (distance) C4'-P energy: -42.353
bonds (distance) P-C4' energy: -45.334
flat angles C4'-P-C4' energy: -41.048
flat angles P-C4'-P energy: -33.417
tors. eta vs tors. theta energy: -46.137
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: 2, replica: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -441.370455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.370455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.370455 (E_RNA)
where:
Base-Base interactions energy: -251.498
where: short stacking energy: -137.973
Base-Backbone interact. energy: -0.882
local terms energy: -188.990329
where:
bonds (distance) C4'-P energy: -42.104
bonds (distance) P-C4' energy: -42.160
flat angles C4'-P-C4' energy: -34.024
flat angles P-C4'-P energy: -31.962
tors. eta vs tors. theta energy: -38.740
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: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -474.977165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.977165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.977165 (E_RNA)
where:
Base-Base interactions energy: -296.598
where: short stacking energy: -143.786
Base-Backbone interact. energy: -0.285
local terms energy: -178.093801
where:
bonds (distance) C4'-P energy: -31.339
bonds (distance) P-C4' energy: -39.899
flat angles C4'-P-C4' energy: -46.205
flat angles P-C4'-P energy: -23.027
tors. eta vs tors. theta energy: -37.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -422.182316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.182316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.182316 (E_RNA)
where:
Base-Base interactions energy: -261.225
where: short stacking energy: -124.842
Base-Backbone interact. energy: -0.982
local terms energy: -159.974914
where:
bonds (distance) C4'-P energy: -37.575
bonds (distance) P-C4' energy: -39.527
flat angles C4'-P-C4' energy: -29.756
flat angles P-C4'-P energy: -26.094
tors. eta vs tors. theta energy: -27.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -407.056509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.056509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.056509 (E_RNA)
where:
Base-Base interactions energy: -216.450
where: short stacking energy: -119.352
Base-Backbone interact. energy: 0.222
local terms energy: -190.828976
where:
bonds (distance) C4'-P energy: -39.860
bonds (distance) P-C4' energy: -42.697
flat angles C4'-P-C4' energy: -37.191
flat angles P-C4'-P energy: -33.832
tors. eta vs tors. theta energy: -37.249
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: 6, replica: 6
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -341.874519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.874519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.874519 (E_RNA)
where:
Base-Base interactions energy: -187.175
where: short stacking energy: -100.199
Base-Backbone interact. energy: -0.637
local terms energy: -154.062184
where:
bonds (distance) C4'-P energy: -34.795
bonds (distance) P-C4' energy: -42.704
flat angles C4'-P-C4' energy: -36.165
flat angles P-C4'-P energy: -20.952
tors. eta vs tors. theta energy: -19.446
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: 8
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -248.129102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.129102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.129102 (E_RNA)
where:
Base-Base interactions energy: -101.434
where: short stacking energy: -70.249
Base-Backbone interact. energy: -1.167
local terms energy: -145.528553
where:
bonds (distance) C4'-P energy: -34.651
bonds (distance) P-C4' energy: -47.966
flat angles C4'-P-C4' energy: -36.123
flat angles P-C4'-P energy: -16.390
tors. eta vs tors. theta energy: -10.397
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: 9
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -206.464136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.464136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.464136 (E_RNA)
where:
Base-Base interactions energy: -83.766
where: short stacking energy: -66.768
Base-Backbone interact. energy: -0.634
local terms energy: -122.064608
where:
bonds (distance) C4'-P energy: -29.358
bonds (distance) P-C4' energy: -34.955
flat angles C4'-P-C4' energy: -34.953
flat angles P-C4'-P energy: -16.468
tors. eta vs tors. theta energy: -6.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -213.074345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.074345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.074345 (E_RNA)
where:
Base-Base interactions energy: -102.980
where: short stacking energy: -60.554
Base-Backbone interact. energy: 0.517
local terms energy: -110.611536
where:
bonds (distance) C4'-P energy: -25.280
bonds (distance) P-C4' energy: -40.621
flat angles C4'-P-C4' energy: -31.773
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: 0.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -181.371903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.371903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.371903 (E_RNA)
where:
Base-Base interactions energy: -62.252
where: short stacking energy: -58.375
Base-Backbone interact. energy: -0.100
local terms energy: -119.020131
where:
bonds (distance) C4'-P energy: -36.812
bonds (distance) P-C4' energy: -33.595
flat angles C4'-P-C4' energy: -34.378
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -3.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -557.826066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.826066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.826066 (E_RNA)
where:
Base-Base interactions energy: -359.729
where: short stacking energy: -131.614
Base-Backbone interact. energy: 0.464
local terms energy: -198.561848
where:
bonds (distance) C4'-P energy: -48.540
bonds (distance) P-C4' energy: -43.495
flat angles C4'-P-C4' energy: -38.843
flat angles P-C4'-P energy: -24.439
tors. eta vs tors. theta energy: -43.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -452.921498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.921498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.921498 (E_RNA)
where:
Base-Base interactions energy: -263.764
where: short stacking energy: -135.721
Base-Backbone interact. energy: -0.656
local terms energy: -188.501404
where:
bonds (distance) C4'-P energy: -37.063
bonds (distance) P-C4' energy: -41.699
flat angles C4'-P-C4' energy: -39.703
flat angles P-C4'-P energy: -25.427
tors. eta vs tors. theta energy: -44.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -472.431445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.431445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.431445 (E_RNA)
where:
Base-Base interactions energy: -308.637
where: short stacking energy: -140.458
Base-Backbone interact. energy: 0.501
local terms energy: -164.295726
where:
bonds (distance) C4'-P energy: -36.021
bonds (distance) P-C4' energy: -34.628
flat angles C4'-P-C4' energy: -37.124
flat angles P-C4'-P energy: -24.009
tors. eta vs tors. theta energy: -32.514
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: 2
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -415.336869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.336869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.336869 (E_RNA)
where:
Base-Base interactions energy: -256.152
where: short stacking energy: -107.619
Base-Backbone interact. energy: -0.835
local terms energy: -158.350591
where:
bonds (distance) C4'-P energy: -37.988
bonds (distance) P-C4' energy: -29.900
flat angles C4'-P-C4' energy: -36.757
flat angles P-C4'-P energy: -26.740
tors. eta vs tors. theta energy: -26.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -436.257679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.257679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.257679 (E_RNA)
where:
Base-Base interactions energy: -258.191
where: short stacking energy: -148.027
Base-Backbone interact. energy: -0.158
local terms energy: -177.908468
where:
bonds (distance) C4'-P energy: -36.641
bonds (distance) P-C4' energy: -35.756
flat angles C4'-P-C4' energy: -43.759
flat angles P-C4'-P energy: -22.586
tors. eta vs tors. theta energy: -39.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -362.204265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.204265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.204265 (E_RNA)
where:
Base-Base interactions energy: -221.653
where: short stacking energy: -112.870
Base-Backbone interact. energy: -0.572
local terms energy: -139.979605
where:
bonds (distance) C4'-P energy: -27.304
bonds (distance) P-C4' energy: -27.185
flat angles C4'-P-C4' energy: -41.645
flat angles P-C4'-P energy: -21.590
tors. eta vs tors. theta energy: -22.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -247.525075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.525075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.525075 (E_RNA)
where:
Base-Base interactions energy: -115.554
where: short stacking energy: -71.765
Base-Backbone interact. energy: -0.359
local terms energy: -131.611772
where:
bonds (distance) C4'-P energy: -29.130
bonds (distance) P-C4' energy: -39.354
flat angles C4'-P-C4' energy: -34.171
flat angles P-C4'-P energy: -21.927
tors. eta vs tors. theta energy: -7.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -214.530320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.530320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.530320 (E_RNA)
where:
Base-Base interactions energy: -83.379
where: short stacking energy: -72.911
Base-Backbone interact. energy: -1.256
local terms energy: -129.894651
where:
bonds (distance) C4'-P energy: -30.152
bonds (distance) P-C4' energy: -37.270
flat angles C4'-P-C4' energy: -34.235
flat angles P-C4'-P energy: -21.459
tors. eta vs tors. theta energy: -6.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -183.565048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.565048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.565048 (E_RNA)
where:
Base-Base interactions energy: -88.716
where: short stacking energy: -68.096
Base-Backbone interact. energy: -0.943
local terms energy: -93.905757
where:
bonds (distance) C4'-P energy: -32.918
bonds (distance) P-C4' energy: -33.225
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -13.379
tors. eta vs tors. theta energy: 0.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -158.084394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.084394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.084394 (E_RNA)
where:
Base-Base interactions energy: -47.374
where: short stacking energy: -34.070
Base-Backbone interact. energy: -0.665
local terms energy: -110.045248
where:
bonds (distance) C4'-P energy: -25.152
bonds (distance) P-C4' energy: -37.787
flat angles C4'-P-C4' energy: -32.302
flat angles P-C4'-P energy: -17.516
tors. eta vs tors. theta energy: 2.712
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: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -552.290110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.290110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.290110 (E_RNA)
where:
Base-Base interactions energy: -350.497
where: short stacking energy: -144.419
Base-Backbone interact. energy: -2.255
local terms energy: -199.538069
where:
bonds (distance) C4'-P energy: -38.325
bonds (distance) P-C4' energy: -46.088
flat angles C4'-P-C4' energy: -45.090
flat angles P-C4'-P energy: -26.632
tors. eta vs tors. theta energy: -43.403
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: 5
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -524.347916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.347916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.347916 (E_RNA)
where:
Base-Base interactions energy: -334.180
where: short stacking energy: -160.556
Base-Backbone interact. energy: -1.142
local terms energy: -189.025889
where:
bonds (distance) C4'-P energy: -37.106
bonds (distance) P-C4' energy: -38.961
flat angles C4'-P-C4' energy: -48.424
flat angles P-C4'-P energy: -28.462
tors. eta vs tors. theta energy: -36.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -439.449241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.449241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.449241 (E_RNA)
where:
Base-Base interactions energy: -254.690
where: short stacking energy: -120.793
Base-Backbone interact. energy: -1.034
local terms energy: -183.724641
where:
bonds (distance) C4'-P energy: -39.206
bonds (distance) P-C4' energy: -46.533
flat angles C4'-P-C4' energy: -36.724
flat angles P-C4'-P energy: -26.947
tors. eta vs tors. theta energy: -34.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -420.450750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.450750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.450750 (E_RNA)
where:
Base-Base interactions energy: -255.830
where: short stacking energy: -99.092
Base-Backbone interact. energy: -0.634
local terms energy: -163.986848
where:
bonds (distance) C4'-P energy: -29.235
bonds (distance) P-C4' energy: -42.358
flat angles C4'-P-C4' energy: -43.463
flat angles P-C4'-P energy: -28.534
tors. eta vs tors. theta energy: -20.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -412.050717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.050717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.050717 (E_RNA)
where:
Base-Base interactions energy: -232.795
where: short stacking energy: -127.031
Base-Backbone interact. energy: -0.516
local terms energy: -178.739715
where:
bonds (distance) C4'-P energy: -37.730
bonds (distance) P-C4' energy: -37.554
flat angles C4'-P-C4' energy: -41.447
flat angles P-C4'-P energy: -29.934
tors. eta vs tors. theta energy: -32.075
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: 6, replica: 6
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -422.738683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.738683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.738683 (E_RNA)
where:
Base-Base interactions energy: -255.695
where: short stacking energy: -127.985
Base-Backbone interact. energy: -0.302
local terms energy: -166.742330
where:
bonds (distance) C4'-P energy: -30.414
bonds (distance) P-C4' energy: -40.578
flat angles C4'-P-C4' energy: -35.650
flat angles P-C4'-P energy: -23.115
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: 7, replica: 8
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -255.623703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.623703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.623703 (E_RNA)
where:
Base-Base interactions energy: -114.367
where: short stacking energy: -70.691
Base-Backbone interact. energy: -0.307
local terms energy: -140.949582
where:
bonds (distance) C4'-P energy: -34.319
bonds (distance) P-C4' energy: -36.211
flat angles C4'-P-C4' energy: -33.309
flat angles P-C4'-P energy: -29.448
tors. eta vs tors. theta energy: -7.662
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: 9
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -219.212850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.212850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.212850 (E_RNA)
where:
Base-Base interactions energy: -80.544
where: short stacking energy: -78.491
Base-Backbone interact. energy: -0.386
local terms energy: -138.283250
where:
bonds (distance) C4'-P energy: -31.894
bonds (distance) P-C4' energy: -36.853
flat angles C4'-P-C4' energy: -36.465
flat angles P-C4'-P energy: -19.751
tors. eta vs tors. theta energy: -13.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -193.760023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.760023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.760023 (E_RNA)
where:
Base-Base interactions energy: -83.375
where: short stacking energy: -31.851
Base-Backbone interact. energy: -0.631
local terms energy: -109.754203
where:
bonds (distance) C4'-P energy: -27.875
bonds (distance) P-C4' energy: -35.037
flat angles C4'-P-C4' energy: -35.199
flat angles P-C4'-P energy: -19.700
tors. eta vs tors. theta energy: 8.057
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: 7
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -179.933418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.933418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.933418 (E_RNA)
where:
Base-Base interactions energy: -68.728
where: short stacking energy: -54.678
Base-Backbone interact. energy: 0.287
local terms energy: -111.493277
where:
bonds (distance) C4'-P energy: -30.925
bonds (distance) P-C4' energy: -26.534
flat angles C4'-P-C4' energy: -31.833
flat angles P-C4'-P energy: -21.190
tors. eta vs tors. theta energy: -1.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -564.594548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.594548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.594548 (E_RNA)
where:
Base-Base interactions energy: -359.239
where: short stacking energy: -151.117
Base-Backbone interact. energy: -1.995
local terms energy: -203.360798
where:
bonds (distance) C4'-P energy: -42.664
bonds (distance) P-C4' energy: -39.399
flat angles C4'-P-C4' energy: -47.733
flat angles P-C4'-P energy: -32.912
tors. eta vs tors. theta energy: -40.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -532.294127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.294127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.294127 (E_RNA)
where:
Base-Base interactions energy: -348.746
where: short stacking energy: -139.088
Base-Backbone interact. energy: -1.468
local terms energy: -182.079878
where:
bonds (distance) C4'-P energy: -34.520
bonds (distance) P-C4' energy: -41.962
flat angles C4'-P-C4' energy: -42.755
flat angles P-C4'-P energy: -27.148
tors. eta vs tors. theta energy: -35.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -460.300791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.300791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.300791 (E_RNA)
where:
Base-Base interactions energy: -302.562
where: short stacking energy: -127.879
Base-Backbone interact. energy: 0.141
local terms energy: -157.879962
where:
bonds (distance) C4'-P energy: -35.458
bonds (distance) P-C4' energy: -41.743
flat angles C4'-P-C4' energy: -33.795
flat angles P-C4'-P energy: -22.898
tors. eta vs tors. theta energy: -23.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -428.332247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.332247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.332247 (E_RNA)
where:
Base-Base interactions energy: -264.491
where: short stacking energy: -151.686
Base-Backbone interact. energy: -0.353
local terms energy: -163.489001
where:
bonds (distance) C4'-P energy: -35.805
bonds (distance) P-C4' energy: -34.581
flat angles C4'-P-C4' energy: -36.472
flat angles P-C4'-P energy: -17.317
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: 5, replica: 6
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -410.412351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.412351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.412351 (E_RNA)
where:
Base-Base interactions energy: -243.547
where: short stacking energy: -120.385
Base-Backbone interact. energy: -0.751
local terms energy: -166.113945
where:
bonds (distance) C4'-P energy: -42.006
bonds (distance) P-C4' energy: -32.268
flat angles C4'-P-C4' energy: -28.966
flat angles P-C4'-P energy: -30.469
tors. eta vs tors. theta energy: -32.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -401.716249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.716249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.716249 (E_RNA)
where:
Base-Base interactions energy: -232.407
where: short stacking energy: -123.347
Base-Backbone interact. energy: -0.392
local terms energy: -168.916799
where:
bonds (distance) C4'-P energy: -31.108
bonds (distance) P-C4' energy: -43.781
flat angles C4'-P-C4' energy: -39.692
flat angles P-C4'-P energy: -27.800
tors. eta vs tors. theta energy: -26.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -198.607376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.607376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.607376 (E_RNA)
where:
Base-Base interactions energy: -69.015
where: short stacking energy: -51.016
Base-Backbone interact. energy: 0.310
local terms energy: -129.902402
where:
bonds (distance) C4'-P energy: -36.867
bonds (distance) P-C4' energy: -40.839
flat angles C4'-P-C4' energy: -24.938
flat angles P-C4'-P energy: -28.169
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: 8, replica: 9
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -183.014658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.014658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.014658 (E_RNA)
where:
Base-Base interactions energy: -58.851
where: short stacking energy: -52.219
Base-Backbone interact. energy: -0.518
local terms energy: -123.645908
where:
bonds (distance) C4'-P energy: -34.987
bonds (distance) P-C4' energy: -33.280
flat angles C4'-P-C4' energy: -28.860
flat angles P-C4'-P energy: -24.546
tors. eta vs tors. theta energy: -1.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -176.221260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.221260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.221260 (E_RNA)
where:
Base-Base interactions energy: -48.300
where: short stacking energy: -44.874
Base-Backbone interact. energy: -1.387
local terms energy: -126.533539
where:
bonds (distance) C4'-P energy: -35.687
bonds (distance) P-C4' energy: -45.018
flat angles C4'-P-C4' energy: -32.171
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -0.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -195.534780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.534780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.534780 (E_RNA)
where:
Base-Base interactions energy: -74.077
where: short stacking energy: -49.475
Base-Backbone interact. energy: 5.235
local terms energy: -126.692061
where:
bonds (distance) C4'-P energy: -32.825
bonds (distance) P-C4' energy: -36.792
flat angles C4'-P-C4' energy: -34.050
flat angles P-C4'-P energy: -27.573
tors. eta vs tors. theta energy: 4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -572.436574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.436574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.436574 (E_RNA)
where:
Base-Base interactions energy: -391.809
where: short stacking energy: -163.025
Base-Backbone interact. energy: 1.533
local terms energy: -182.161008
where:
bonds (distance) C4'-P energy: -37.909
bonds (distance) P-C4' energy: -37.669
flat angles C4'-P-C4' energy: -39.776
flat angles P-C4'-P energy: -28.104
tors. eta vs tors. theta energy: -38.702
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: 17
Temperature: 0.950000
Total energy: -520.030705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.030705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.030705 (E_RNA)
where:
Base-Base interactions energy: -337.330
where: short stacking energy: -146.099
Base-Backbone interact. energy: -1.560
local terms energy: -181.140802
where:
bonds (distance) C4'-P energy: -38.800
bonds (distance) P-C4' energy: -40.897
flat angles C4'-P-C4' energy: -36.973
flat angles P-C4'-P energy: -26.332
tors. eta vs tors. theta energy: -38.138
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: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -453.179664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.179664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.179664 (E_RNA)
where:
Base-Base interactions energy: -281.199
where: short stacking energy: -124.463
Base-Backbone interact. energy: -0.309
local terms energy: -171.671591
where:
bonds (distance) C4'-P energy: -37.183
bonds (distance) P-C4' energy: -42.898
flat angles C4'-P-C4' energy: -45.334
flat angles P-C4'-P energy: -26.060
tors. eta vs tors. theta energy: -20.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -428.197751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.197751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.197751 (E_RNA)
where:
Base-Base interactions energy: -248.055
where: short stacking energy: -131.607
Base-Backbone interact. energy: 1.114
local terms energy: -181.257056
where:
bonds (distance) C4'-P energy: -34.541
bonds (distance) P-C4' energy: -38.933
flat angles C4'-P-C4' energy: -44.170
flat angles P-C4'-P energy: -28.085
tors. eta vs tors. theta energy: -35.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -336.692662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.692662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.692662 (E_RNA)
where:
Base-Base interactions energy: -192.861
where: short stacking energy: -108.236
Base-Backbone interact. energy: -0.245
local terms energy: -143.585825
where:
bonds (distance) C4'-P energy: -34.173
bonds (distance) P-C4' energy: -39.189
flat angles C4'-P-C4' energy: -35.950
flat angles P-C4'-P energy: -13.642
tors. eta vs tors. theta energy: -20.632
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: 6, replica: 4
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -401.804495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.804495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.804495 (E_RNA)
where:
Base-Base interactions energy: -228.656
where: short stacking energy: -130.664
Base-Backbone interact. energy: -0.615
local terms energy: -172.533662
where:
bonds (distance) C4'-P energy: -35.322
bonds (distance) P-C4' energy: -41.059
flat angles C4'-P-C4' energy: -41.711
flat angles P-C4'-P energy: -16.807
tors. eta vs tors. theta energy: -37.635
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: 8
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -228.459537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.459537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.459537 (E_RNA)
where:
Base-Base interactions energy: -83.971
where: short stacking energy: -72.323
Base-Backbone interact. energy: -0.309
local terms energy: -144.179069
where:
bonds (distance) C4'-P energy: -32.582
bonds (distance) P-C4' energy: -36.563
flat angles C4'-P-C4' energy: -37.004
flat angles P-C4'-P energy: -25.583
tors. eta vs tors. theta energy: -12.447
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: 8, replica: 7
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -198.858210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.858210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.858210 (E_RNA)
where:
Base-Base interactions energy: -86.318
where: short stacking energy: -74.758
Base-Backbone interact. energy: -0.233
local terms energy: -112.307270
where:
bonds (distance) C4'-P energy: -31.887
bonds (distance) P-C4' energy: -35.083
flat angles C4'-P-C4' energy: -21.722
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -11.758
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: 17
Temperature: 1.300000
Total energy: -184.765056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.765056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.765056 (E_RNA)
where:
Base-Base interactions energy: -81.885
where: short stacking energy: -59.091
Base-Backbone interact. energy: -0.655
local terms energy: -102.225429
where:
bonds (distance) C4'-P energy: -26.932
bonds (distance) P-C4' energy: -36.880
flat angles C4'-P-C4' energy: -30.544
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: 3.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -172.199391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.199391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.199391 (E_RNA)
where:
Base-Base interactions energy: -62.968
where: short stacking energy: -61.969
Base-Backbone interact. energy: 8.010
local terms energy: -117.240405
where:
bonds (distance) C4'-P energy: -31.755
bonds (distance) P-C4' energy: -37.851
flat angles C4'-P-C4' energy: -31.131
flat angles P-C4'-P energy: -14.861
tors. eta vs tors. theta energy: -1.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -561.029239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.029239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.029239 (E_RNA)
where:
Base-Base interactions energy: -368.778
where: short stacking energy: -160.442
Base-Backbone interact. energy: 0.123
local terms energy: -192.374244
where:
bonds (distance) C4'-P energy: -43.143
bonds (distance) P-C4' energy: -35.810
flat angles C4'-P-C4' energy: -37.331
flat angles P-C4'-P energy: -28.492
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: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -527.667933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.667933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.667933 (E_RNA)
where:
Base-Base interactions energy: -349.002
where: short stacking energy: -147.821
Base-Backbone interact. energy: -2.225
local terms energy: -176.441548
where:
bonds (distance) C4'-P energy: -33.243
bonds (distance) P-C4' energy: -39.497
flat angles C4'-P-C4' energy: -44.082
flat angles P-C4'-P energy: -23.570
tors. eta vs tors. theta energy: -36.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -433.913901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.913901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.913901 (E_RNA)
where:
Base-Base interactions energy: -275.468
where: short stacking energy: -115.513
Base-Backbone interact. energy: -0.302
local terms energy: -158.143336
where:
bonds (distance) C4'-P energy: -44.813
bonds (distance) P-C4' energy: -34.305
flat angles C4'-P-C4' energy: -37.239
flat angles P-C4'-P energy: -23.022
tors. eta vs tors. theta energy: -18.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -429.937574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.937574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.937574 (E_RNA)
where:
Base-Base interactions energy: -260.623
where: short stacking energy: -116.121
Base-Backbone interact. energy: -1.307
local terms energy: -168.007952
where:
bonds (distance) C4'-P energy: -35.027
bonds (distance) P-C4' energy: -41.164
flat angles C4'-P-C4' energy: -37.829
flat angles P-C4'-P energy: -23.637
tors. eta vs tors. theta energy: -30.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -422.937854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.937854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.937854 (E_RNA)
where:
Base-Base interactions energy: -248.452
where: short stacking energy: -142.319
Base-Backbone interact. energy: -0.211
local terms energy: -174.274308
where:
bonds (distance) C4'-P energy: -30.917
bonds (distance) P-C4' energy: -36.852
flat angles C4'-P-C4' energy: -39.663
flat angles P-C4'-P energy: -25.200
tors. eta vs tors. theta energy: -41.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -318.234061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.234061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.234061 (E_RNA)
where:
Base-Base interactions energy: -167.467
where: short stacking energy: -108.314
Base-Backbone interact. energy: -0.358
local terms energy: -150.409343
where:
bonds (distance) C4'-P energy: -23.714
bonds (distance) P-C4' energy: -39.652
flat angles C4'-P-C4' energy: -34.830
flat angles P-C4'-P energy: -24.009
tors. eta vs tors. theta energy: -28.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -206.196952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.196952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.196952 (E_RNA)
where:
Base-Base interactions energy: -75.065
where: short stacking energy: -66.207
Base-Backbone interact. energy: -1.655
local terms energy: -129.476804
where:
bonds (distance) C4'-P energy: -39.271
bonds (distance) P-C4' energy: -34.058
flat angles C4'-P-C4' energy: -28.081
flat angles P-C4'-P energy: -18.415
tors. eta vs tors. theta energy: -9.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -202.259778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.259778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.259778 (E_RNA)
where:
Base-Base interactions energy: -79.249
where: short stacking energy: -66.016
Base-Backbone interact. energy: 0.054
local terms energy: -123.064733
where:
bonds (distance) C4'-P energy: -38.640
bonds (distance) P-C4' energy: -36.205
flat angles C4'-P-C4' energy: -28.313
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -9.887
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: 9, replica: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -189.901795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.901795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.901795 (E_RNA)
where:
Base-Base interactions energy: -85.526
where: short stacking energy: -72.622
Base-Backbone interact. energy: 4.055
local terms energy: -108.430240
where:
bonds (distance) C4'-P energy: -33.070
bonds (distance) P-C4' energy: -32.757
flat angles C4'-P-C4' energy: -30.270
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: 1.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -181.531502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.531502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.531502 (E_RNA)
where:
Base-Base interactions energy: -58.950
where: short stacking energy: -54.737
Base-Backbone interact. energy: 0.121
local terms energy: -122.702631
where:
bonds (distance) C4'-P energy: -37.718
bonds (distance) P-C4' energy: -38.767
flat angles C4'-P-C4' energy: -32.753
flat angles P-C4'-P energy: -17.316
tors. eta vs tors. theta energy: 3.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -607.624479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.624479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.624479 (E_RNA)
where:
Base-Base interactions energy: -412.414
where: short stacking energy: -170.835
Base-Backbone interact. energy: -0.791
local terms energy: -194.420045
where:
bonds (distance) C4'-P energy: -34.580
bonds (distance) P-C4' energy: -35.763
flat angles C4'-P-C4' energy: -41.710
flat angles P-C4'-P energy: -32.089
tors. eta vs tors. theta energy: -50.277
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: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -545.985373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.985373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.985373 (E_RNA)
where:
Base-Base interactions energy: -355.125
where: short stacking energy: -164.545
Base-Backbone interact. energy: -1.117
local terms energy: -189.743340
where:
bonds (distance) C4'-P energy: -32.224
bonds (distance) P-C4' energy: -46.026
flat angles C4'-P-C4' energy: -43.304
flat angles P-C4'-P energy: -25.424
tors. eta vs tors. theta energy: -42.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -456.795550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.795550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.795550 (E_RNA)
where:
Base-Base interactions energy: -287.385
where: short stacking energy: -137.174
Base-Backbone interact. energy: 0.179
local terms energy: -169.590016
where:
bonds (distance) C4'-P energy: -34.353
bonds (distance) P-C4' energy: -40.744
flat angles C4'-P-C4' energy: -35.761
flat angles P-C4'-P energy: -29.547
tors. eta vs tors. theta energy: -29.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -446.274194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.274194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.274194 (E_RNA)
where:
Base-Base interactions energy: -268.814
where: short stacking energy: -132.134
Base-Backbone interact. energy: -0.624
local terms energy: -176.836946
where:
bonds (distance) C4'-P energy: -32.288
bonds (distance) P-C4' energy: -36.392
flat angles C4'-P-C4' energy: -36.791
flat angles P-C4'-P energy: -34.174
tors. eta vs tors. theta energy: -37.192
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: 4
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -419.566349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.566349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.566349 (E_RNA)
where:
Base-Base interactions energy: -246.787
where: short stacking energy: -125.909
Base-Backbone interact. energy: -0.816
local terms energy: -171.963276
where:
bonds (distance) C4'-P energy: -33.257
bonds (distance) P-C4' energy: -39.019
flat angles C4'-P-C4' energy: -35.690
flat angles P-C4'-P energy: -23.412
tors. eta vs tors. theta energy: -40.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -261.294081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.294081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.294081 (E_RNA)
where:
Base-Base interactions energy: -132.014
where: short stacking energy: -72.516
Base-Backbone interact. energy: -1.572
local terms energy: -127.708627
where:
bonds (distance) C4'-P energy: -24.728
bonds (distance) P-C4' energy: -34.085
flat angles C4'-P-C4' energy: -37.880
flat angles P-C4'-P energy: -24.546
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: 7, replica: 3
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -284.729954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.729954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.729954 (E_RNA)
where:
Base-Base interactions energy: -153.915
where: short stacking energy: -96.630
Base-Backbone interact. energy: 5.024
local terms energy: -135.839090
where:
bonds (distance) C4'-P energy: -34.404
bonds (distance) P-C4' energy: -37.229
flat angles C4'-P-C4' energy: -34.781
flat angles P-C4'-P energy: -19.656
tors. eta vs tors. theta energy: -9.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -278.871100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.871100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.871100 (E_RNA)
where:
Base-Base interactions energy: -133.036
where: short stacking energy: -86.898
Base-Backbone interact. energy: -0.024
local terms energy: -145.811500
where:
bonds (distance) C4'-P energy: -28.937
bonds (distance) P-C4' energy: -37.564
flat angles C4'-P-C4' energy: -34.341
flat angles P-C4'-P energy: -27.937
tors. eta vs tors. theta energy: -17.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -177.311181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.311181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.311181 (E_RNA)
where:
Base-Base interactions energy: -60.229
where: short stacking energy: -57.034
Base-Backbone interact. energy: 1.457
local terms energy: -118.539164
where:
bonds (distance) C4'-P energy: -29.873
bonds (distance) P-C4' energy: -34.266
flat angles C4'-P-C4' energy: -30.581
flat angles P-C4'-P energy: -23.476
tors. eta vs tors. theta energy: -0.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -183.165870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.165870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.165870 (E_RNA)
where:
Base-Base interactions energy: -59.656
where: short stacking energy: -52.135
Base-Backbone interact. energy: 0.195
local terms energy: -123.705243
where:
bonds (distance) C4'-P energy: -39.393
bonds (distance) P-C4' energy: -30.866
flat angles C4'-P-C4' energy: -36.104
flat angles P-C4'-P energy: -23.106
tors. eta vs tors. theta energy: 5.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -602.199377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.199377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.199377 (E_RNA)
where:
Base-Base interactions energy: -410.580
where: short stacking energy: -159.968
Base-Backbone interact. energy: -1.487
local terms energy: -190.131768
where:
bonds (distance) C4'-P energy: -39.692
bonds (distance) P-C4' energy: -39.545
flat angles C4'-P-C4' energy: -38.290
flat angles P-C4'-P energy: -33.246
tors. eta vs tors. theta energy: -39.358
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: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -518.234403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.234403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.234403 (E_RNA)
where:
Base-Base interactions energy: -330.835
where: short stacking energy: -147.717
Base-Backbone interact. energy: -1.820
local terms energy: -185.579619
where:
bonds (distance) C4'-P energy: -39.779
bonds (distance) P-C4' energy: -39.661
flat angles C4'-P-C4' energy: -40.279
flat angles P-C4'-P energy: -29.203
tors. eta vs tors. theta energy: -36.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -476.304572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.304572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.304572 (E_RNA)
where:
Base-Base interactions energy: -306.709
where: short stacking energy: -145.990
Base-Backbone interact. energy: -0.433
local terms energy: -169.163117
where:
bonds (distance) C4'-P energy: -31.570
bonds (distance) P-C4' energy: -32.458
flat angles C4'-P-C4' energy: -42.618
flat angles P-C4'-P energy: -26.429
tors. eta vs tors. theta energy: -36.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -460.302976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.302976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.302976 (E_RNA)
where:
Base-Base interactions energy: -282.036
where: short stacking energy: -120.150
Base-Backbone interact. energy: -3.576
local terms energy: -174.690857
where:
bonds (distance) C4'-P energy: -35.169
bonds (distance) P-C4' energy: -40.079
flat angles C4'-P-C4' energy: -38.854
flat angles P-C4'-P energy: -29.600
tors. eta vs tors. theta energy: -30.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -429.973508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.973508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.973508 (E_RNA)
where:
Base-Base interactions energy: -260.386
where: short stacking energy: -140.577
Base-Backbone interact. energy: -0.641
local terms energy: -168.945948
where:
bonds (distance) C4'-P energy: -34.646
bonds (distance) P-C4' energy: -36.383
flat angles C4'-P-C4' energy: -37.543
flat angles P-C4'-P energy: -22.969
tors. eta vs tors. theta energy: -37.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -310.208215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.208215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.208215 (E_RNA)
where:
Base-Base interactions energy: -179.697
where: short stacking energy: -97.814
Base-Backbone interact. energy: -0.769
local terms energy: -129.742281
where:
bonds (distance) C4'-P energy: -30.127
bonds (distance) P-C4' energy: -34.542
flat angles C4'-P-C4' energy: -32.538
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -16.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -283.865943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.865943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.865943 (E_RNA)
where:
Base-Base interactions energy: -150.722
where: short stacking energy: -83.969
Base-Backbone interact. energy: -0.604
local terms energy: -132.539811
where:
bonds (distance) C4'-P energy: -26.618
bonds (distance) P-C4' energy: -34.416
flat angles C4'-P-C4' energy: -32.945
flat angles P-C4'-P energy: -23.759
tors. eta vs tors. theta energy: -14.802
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: 3
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -257.237362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.237362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.237362 (E_RNA)
where:
Base-Base interactions energy: -126.548
where: short stacking energy: -78.759
Base-Backbone interact. energy: 3.880
local terms energy: -134.569022
where:
bonds (distance) C4'-P energy: -33.911
bonds (distance) P-C4' energy: -41.957
flat angles C4'-P-C4' energy: -35.818
flat angles P-C4'-P energy: -16.774
tors. eta vs tors. theta energy: -6.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -207.159357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.159357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.159357 (E_RNA)
where:
Base-Base interactions energy: -78.909
where: short stacking energy: -52.809
Base-Backbone interact. energy: 1.575
local terms energy: -129.825594
where:
bonds (distance) C4'-P energy: -32.872
bonds (distance) P-C4' energy: -38.392
flat angles C4'-P-C4' energy: -33.380
flat angles P-C4'-P energy: -19.354
tors. eta vs tors. theta energy: -5.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -172.300612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.300612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.300612 (E_RNA)
where:
Base-Base interactions energy: -69.247
where: short stacking energy: -56.130
Base-Backbone interact. energy: -0.731
local terms energy: -102.322307
where:
bonds (distance) C4'-P energy: -32.580
bonds (distance) P-C4' energy: -32.465
flat angles C4'-P-C4' energy: -26.672
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -0.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -609.077203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.077203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.077203 (E_RNA)
where:
Base-Base interactions energy: -411.707
where: short stacking energy: -178.860
Base-Backbone interact. energy: -3.400
local terms energy: -193.970393
where:
bonds (distance) C4'-P energy: -31.860
bonds (distance) P-C4' energy: -40.101
flat angles C4'-P-C4' energy: -41.094
flat angles P-C4'-P energy: -32.739
tors. eta vs tors. theta energy: -48.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -518.540143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.540143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.540143 (E_RNA)
where:
Base-Base interactions energy: -329.782
where: short stacking energy: -152.069
Base-Backbone interact. energy: -3.791
local terms energy: -184.967166
where:
bonds (distance) C4'-P energy: -33.064
bonds (distance) P-C4' energy: -38.816
flat angles C4'-P-C4' energy: -39.295
flat angles P-C4'-P energy: -30.232
tors. eta vs tors. theta energy: -43.560
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: 2
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -486.215011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.215011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.215011 (E_RNA)
where:
Base-Base interactions energy: -304.298
where: short stacking energy: -138.089
Base-Backbone interact. energy: -0.538
local terms energy: -181.379820
where:
bonds (distance) C4'-P energy: -43.462
bonds (distance) P-C4' energy: -37.686
flat angles C4'-P-C4' energy: -43.308
flat angles P-C4'-P energy: -26.736
tors. eta vs tors. theta energy: -30.189
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: 6
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -450.532141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.532141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.532141 (E_RNA)
where:
Base-Base interactions energy: -269.390
where: short stacking energy: -130.696
Base-Backbone interact. energy: -0.108
local terms energy: -181.034687
where:
bonds (distance) C4'-P energy: -41.714
bonds (distance) P-C4' energy: -35.697
flat angles C4'-P-C4' energy: -39.691
flat angles P-C4'-P energy: -31.917
tors. eta vs tors. theta energy: -32.015
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: 5, replica: 4
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -416.516130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.516130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.516130 (E_RNA)
where:
Base-Base interactions energy: -255.484
where: short stacking energy: -125.214
Base-Backbone interact. energy: 2.259
local terms energy: -163.290768
where:
bonds (distance) C4'-P energy: -36.157
bonds (distance) P-C4' energy: -31.503
flat angles C4'-P-C4' energy: -36.004
flat angles P-C4'-P energy: -27.795
tors. eta vs tors. theta energy: -31.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -315.945302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.945302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.945302 (E_RNA)
where:
Base-Base interactions energy: -182.878
where: short stacking energy: -103.935
Base-Backbone interact. energy: -1.439
local terms energy: -131.628108
where:
bonds (distance) C4'-P energy: -31.770
bonds (distance) P-C4' energy: -28.311
flat angles C4'-P-C4' energy: -34.948
flat angles P-C4'-P energy: -20.558
tors. eta vs tors. theta energy: -16.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -276.869427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.869427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.869427 (E_RNA)
where:
Base-Base interactions energy: -148.368
where: short stacking energy: -68.162
Base-Backbone interact. energy: -1.315
local terms energy: -127.186298
where:
bonds (distance) C4'-P energy: -35.040
bonds (distance) P-C4' energy: -33.740
flat angles C4'-P-C4' energy: -28.213
flat angles P-C4'-P energy: -27.171
tors. eta vs tors. theta energy: -3.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -211.094585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.094585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.094585 (E_RNA)
where:
Base-Base interactions energy: -86.835
where: short stacking energy: -57.749
Base-Backbone interact. energy: 1.050
local terms energy: -125.309041
where:
bonds (distance) C4'-P energy: -30.420
bonds (distance) P-C4' energy: -32.697
flat angles C4'-P-C4' energy: -26.794
flat angles P-C4'-P energy: -25.312
tors. eta vs tors. theta energy: -10.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -193.464333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.464333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.464333 (E_RNA)
where:
Base-Base interactions energy: -70.794
where: short stacking energy: -56.846
Base-Backbone interact. energy: -1.022
local terms energy: -121.648879
where:
bonds (distance) C4'-P energy: -29.818
bonds (distance) P-C4' energy: -38.604
flat angles C4'-P-C4' energy: -27.638
flat angles P-C4'-P energy: -23.711
tors. eta vs tors. theta energy: -1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -158.596286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.596286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.596286 (E_RNA)
where:
Base-Base interactions energy: -59.334
where: short stacking energy: -49.347
Base-Backbone interact. energy: 0.169
local terms energy: -99.432015
where:
bonds (distance) C4'-P energy: -35.278
bonds (distance) P-C4' energy: -39.079
flat angles C4'-P-C4' energy: -25.026
flat angles P-C4'-P energy: -4.216
tors. eta vs tors. theta energy: 4.167
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: 5
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -612.436799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.436799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.436799 (E_RNA)
where:
Base-Base interactions energy: -412.243
where: short stacking energy: -199.625
Base-Backbone interact. energy: -2.210
local terms energy: -197.983302
where:
bonds (distance) C4'-P energy: -35.745
bonds (distance) P-C4' energy: -41.618
flat angles C4'-P-C4' energy: -43.191
flat angles P-C4'-P energy: -29.396
tors. eta vs tors. theta energy: -48.034
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: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -515.846609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.846609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.846609 (E_RNA)
where:
Base-Base interactions energy: -329.296
where: short stacking energy: -144.702
Base-Backbone interact. energy: 0.032
local terms energy: -186.582114
where:
bonds (distance) C4'-P energy: -40.656
bonds (distance) P-C4' energy: -40.330
flat angles C4'-P-C4' energy: -42.430
flat angles P-C4'-P energy: -30.223
tors. eta vs tors. theta energy: -32.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -510.554541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.554541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.554541 (E_RNA)
where:
Base-Base interactions energy: -318.703
where: short stacking energy: -138.446
Base-Backbone interact. energy: -1.301
local terms energy: -190.551074
where:
bonds (distance) C4'-P energy: -39.510
bonds (distance) P-C4' energy: -45.790
flat angles C4'-P-C4' energy: -40.205
flat angles P-C4'-P energy: -32.664
tors. eta vs tors. theta energy: -32.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -448.275104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.275104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.275104 (E_RNA)
where:
Base-Base interactions energy: -292.327
where: short stacking energy: -131.681
Base-Backbone interact. energy: 2.024
local terms energy: -157.972054
where:
bonds (distance) C4'-P energy: -41.118
bonds (distance) P-C4' energy: -24.861
flat angles C4'-P-C4' energy: -33.650
flat angles P-C4'-P energy: -31.269
tors. eta vs tors. theta energy: -27.074
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: 4
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -418.533983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.533983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.533983 (E_RNA)
where:
Base-Base interactions energy: -256.849
where: short stacking energy: -116.242
Base-Backbone interact. energy: -0.687
local terms energy: -160.997297
where:
bonds (distance) C4'-P energy: -33.704
bonds (distance) P-C4' energy: -35.208
flat angles C4'-P-C4' energy: -40.513
flat angles P-C4'-P energy: -17.613
tors. eta vs tors. theta energy: -33.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -308.480108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.480108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.480108 (E_RNA)
where:
Base-Base interactions energy: -157.732
where: short stacking energy: -88.437
Base-Backbone interact. energy: -1.406
local terms energy: -149.341903
where:
bonds (distance) C4'-P energy: -33.777
bonds (distance) P-C4' energy: -38.179
flat angles C4'-P-C4' energy: -32.053
flat angles P-C4'-P energy: -25.786
tors. eta vs tors. theta energy: -19.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -227.096597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.096597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.096597 (E_RNA)
where:
Base-Base interactions energy: -96.111
where: short stacking energy: -60.195
Base-Backbone interact. energy: -0.756
local terms energy: -130.229040
where:
bonds (distance) C4'-P energy: -36.936
bonds (distance) P-C4' energy: -35.499
flat angles C4'-P-C4' energy: -34.043
flat angles P-C4'-P energy: -18.371
tors. eta vs tors. theta energy: -5.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -191.991248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.991248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.991248 (E_RNA)
where:
Base-Base interactions energy: -63.671
where: short stacking energy: -60.573
Base-Backbone interact. energy: 0.777
local terms energy: -129.097617
where:
bonds (distance) C4'-P energy: -35.300
bonds (distance) P-C4' energy: -37.393
flat angles C4'-P-C4' energy: -30.280
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -12.595
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: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -176.846572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.846572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.846572 (E_RNA)
where:
Base-Base interactions energy: -61.630
where: short stacking energy: -54.036
Base-Backbone interact. energy: 0.396
local terms energy: -115.612965
where:
bonds (distance) C4'-P energy: -33.832
bonds (distance) P-C4' energy: -33.663
flat angles C4'-P-C4' energy: -36.468
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -0.961
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: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -180.544903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.544903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.544903 (E_RNA)
where:
Base-Base interactions energy: -56.755
where: short stacking energy: -55.845
Base-Backbone interact. energy: 0.663
local terms energy: -124.453030
where:
bonds (distance) C4'-P energy: -32.053
bonds (distance) P-C4' energy: -39.420
flat angles C4'-P-C4' energy: -32.276
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -5.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -614.236406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.236406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.236406 (E_RNA)
where:
Base-Base interactions energy: -396.894
where: short stacking energy: -192.800
Base-Backbone interact. energy: -0.651
local terms energy: -216.692017
where:
bonds (distance) C4'-P energy: -46.666
bonds (distance) P-C4' energy: -41.294
flat angles C4'-P-C4' energy: -41.780
flat angles P-C4'-P energy: -30.926
tors. eta vs tors. theta energy: -56.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -503.681700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.681700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.681700 (E_RNA)
where:
Base-Base interactions energy: -329.524
where: short stacking energy: -143.524
Base-Backbone interact. energy: -0.110
local terms energy: -174.047890
where:
bonds (distance) C4'-P energy: -30.267
bonds (distance) P-C4' energy: -42.294
flat angles C4'-P-C4' energy: -38.099
flat angles P-C4'-P energy: -29.048
tors. eta vs tors. theta energy: -34.340
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: 23
Temperature: 1.000000
Total energy: -522.548041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.548041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.548041 (E_RNA)
where:
Base-Base interactions energy: -332.848
where: short stacking energy: -152.532
Base-Backbone interact. energy: -1.777
local terms energy: -187.922802
where:
bonds (distance) C4'-P energy: -38.788
bonds (distance) P-C4' energy: -38.702
flat angles C4'-P-C4' energy: -43.509
flat angles P-C4'-P energy: -25.051
tors. eta vs tors. theta energy: -41.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -464.179877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.179877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.179877 (E_RNA)
where:
Base-Base interactions energy: -280.062
where: short stacking energy: -155.937
Base-Backbone interact. energy: 0.639
local terms energy: -184.757506
where:
bonds (distance) C4'-P energy: -41.150
bonds (distance) P-C4' energy: -37.130
flat angles C4'-P-C4' energy: -37.983
flat angles P-C4'-P energy: -30.493
tors. eta vs tors. theta energy: -38.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -448.364737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.364737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.364737 (E_RNA)
where:
Base-Base interactions energy: -294.921
where: short stacking energy: -128.615
Base-Backbone interact. energy: -1.019
local terms energy: -152.424187
where:
bonds (distance) C4'-P energy: -26.646
bonds (distance) P-C4' energy: -41.629
flat angles C4'-P-C4' energy: -31.995
flat angles P-C4'-P energy: -26.803
tors. eta vs tors. theta energy: -25.351
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: 7
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -312.984108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.984108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.984108 (E_RNA)
where:
Base-Base interactions energy: -156.356
where: short stacking energy: -84.652
Base-Backbone interact. energy: -0.855
local terms energy: -155.773438
where:
bonds (distance) C4'-P energy: -31.929
bonds (distance) P-C4' energy: -38.031
flat angles C4'-P-C4' energy: -37.570
flat angles P-C4'-P energy: -28.610
tors. eta vs tors. theta energy: -19.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -224.343606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.343606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.343606 (E_RNA)
where:
Base-Base interactions energy: -94.710
where: short stacking energy: -57.568
Base-Backbone interact. energy: -0.656
local terms energy: -128.977246
where:
bonds (distance) C4'-P energy: -34.396
bonds (distance) P-C4' energy: -35.972
flat angles C4'-P-C4' energy: -33.085
flat angles P-C4'-P energy: -19.922
tors. eta vs tors. theta energy: -5.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -211.252411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.252411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.252411 (E_RNA)
where:
Base-Base interactions energy: -81.118
where: short stacking energy: -53.911
Base-Backbone interact. energy: -0.245
local terms energy: -129.889642
where:
bonds (distance) C4'-P energy: -34.545
bonds (distance) P-C4' energy: -36.508
flat angles C4'-P-C4' energy: -36.902
flat angles P-C4'-P energy: -21.402
tors. eta vs tors. theta energy: -0.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -175.839261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.839261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.839261 (E_RNA)
where:
Base-Base interactions energy: -52.927
where: short stacking energy: -44.503
Base-Backbone interact. energy: -1.255
local terms energy: -121.657389
where:
bonds (distance) C4'-P energy: -40.503
bonds (distance) P-C4' energy: -37.318
flat angles C4'-P-C4' energy: -27.621
flat angles P-C4'-P energy: -20.626
tors. eta vs tors. theta energy: 4.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -183.743177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.743177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.743177 (E_RNA)
where:
Base-Base interactions energy: -78.872
where: short stacking energy: -49.334
Base-Backbone interact. energy: -1.400
local terms energy: -103.471599
where:
bonds (distance) C4'-P energy: -28.062
bonds (distance) P-C4' energy: -36.046
flat angles C4'-P-C4' energy: -27.328
flat angles P-C4'-P energy: -19.135
tors. eta vs tors. theta energy: 7.099
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: 5
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -595.175664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.175664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.175664 (E_RNA)
where:
Base-Base interactions energy: -391.199
where: short stacking energy: -184.931
Base-Backbone interact. energy: -3.009
local terms energy: -200.967964
where:
bonds (distance) C4'-P energy: -40.199
bonds (distance) P-C4' energy: -36.939
flat angles C4'-P-C4' energy: -43.168
flat angles P-C4'-P energy: -28.325
tors. eta vs tors. theta energy: -52.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -501.963962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.963962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.963962 (E_RNA)
where:
Base-Base interactions energy: -322.668
where: short stacking energy: -138.625
Base-Backbone interact. energy: -0.059
local terms energy: -179.236670
where:
bonds (distance) C4'-P energy: -36.234
bonds (distance) P-C4' energy: -38.579
flat angles C4'-P-C4' energy: -44.101
flat angles P-C4'-P energy: -25.356
tors. eta vs tors. theta energy: -34.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -548.610832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.610832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.610832 (E_RNA)
where:
Base-Base interactions energy: -346.485
where: short stacking energy: -154.546
Base-Backbone interact. energy: -1.204
local terms energy: -200.921827
where:
bonds (distance) C4'-P energy: -36.631
bonds (distance) P-C4' energy: -36.642
flat angles C4'-P-C4' energy: -44.705
flat angles P-C4'-P energy: -33.921
tors. eta vs tors. theta energy: -49.023
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: 4, replica: 4
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -479.799872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.799872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.799872 (E_RNA)
where:
Base-Base interactions energy: -285.545
where: short stacking energy: -150.771
Base-Backbone interact. energy: 0.423
local terms energy: -194.678025
where:
bonds (distance) C4'-P energy: -38.504
bonds (distance) P-C4' energy: -40.704
flat angles C4'-P-C4' energy: -42.276
flat angles P-C4'-P energy: -27.725
tors. eta vs tors. theta energy: -45.470
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: 6
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -419.868172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.868172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.868172 (E_RNA)
where:
Base-Base interactions energy: -257.318
where: short stacking energy: -128.824
Base-Backbone interact. energy: -0.248
local terms energy: -162.301467
where:
bonds (distance) C4'-P energy: -27.535
bonds (distance) P-C4' energy: -38.388
flat angles C4'-P-C4' energy: -37.210
flat angles P-C4'-P energy: -29.863
tors. eta vs tors. theta energy: -29.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -322.379269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.379269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.379269 (E_RNA)
where:
Base-Base interactions energy: -183.760
where: short stacking energy: -105.630
Base-Backbone interact. energy: -0.640
local terms energy: -137.979869
where:
bonds (distance) C4'-P energy: -34.872
bonds (distance) P-C4' energy: -36.451
flat angles C4'-P-C4' energy: -31.603
flat angles P-C4'-P energy: -20.981
tors. eta vs tors. theta energy: -14.074
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: 10
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -228.103590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.103590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.103590 (E_RNA)
where:
Base-Base interactions energy: -100.886
where: short stacking energy: -73.277
Base-Backbone interact. energy: 1.803
local terms energy: -129.020409
where:
bonds (distance) C4'-P energy: -38.341
bonds (distance) P-C4' energy: -36.613
flat angles C4'-P-C4' energy: -38.650
flat angles P-C4'-P energy: -14.335
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: 8, replica: 3
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -208.070916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.070916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.070916 (E_RNA)
where:
Base-Base interactions energy: -95.838
where: short stacking energy: -58.347
Base-Backbone interact. energy: 1.158
local terms energy: -113.391329
where:
bonds (distance) C4'-P energy: -22.061
bonds (distance) P-C4' energy: -38.723
flat angles C4'-P-C4' energy: -19.086
flat angles P-C4'-P energy: -25.338
tors. eta vs tors. theta energy: -8.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -191.321459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.321459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.321459 (E_RNA)
where:
Base-Base interactions energy: -64.066
where: short stacking energy: -47.797
Base-Backbone interact. energy: 1.347
local terms energy: -128.602610
where:
bonds (distance) C4'-P energy: -35.716
bonds (distance) P-C4' energy: -40.622
flat angles C4'-P-C4' energy: -37.630
flat angles P-C4'-P energy: -22.452
tors. eta vs tors. theta energy: 7.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -176.347327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.347327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.347327 (E_RNA)
where:
Base-Base interactions energy: -55.480
where: short stacking energy: -49.775
Base-Backbone interact. energy: -0.412
local terms energy: -120.455764
where:
bonds (distance) C4'-P energy: -35.787
bonds (distance) P-C4' energy: -35.177
flat angles C4'-P-C4' energy: -34.008
flat angles P-C4'-P energy: -16.994
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: 1, replica: 5
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -610.251522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.251522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.251522 (E_RNA)
where:
Base-Base interactions energy: -398.434
where: short stacking energy: -191.030
Base-Backbone interact. energy: -1.672
local terms energy: -210.146019
where:
bonds (distance) C4'-P energy: -41.013
bonds (distance) P-C4' energy: -38.778
flat angles C4'-P-C4' energy: -47.772
flat angles P-C4'-P energy: -26.966
tors. eta vs tors. theta energy: -55.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -560.582601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.582601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.582601 (E_RNA)
where:
Base-Base interactions energy: -358.656
where: short stacking energy: -176.033
Base-Backbone interact. energy: -3.203
local terms energy: -198.723364
where:
bonds (distance) C4'-P energy: -41.479
bonds (distance) P-C4' energy: -44.208
flat angles C4'-P-C4' energy: -42.422
flat angles P-C4'-P energy: -24.420
tors. eta vs tors. theta energy: -46.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -480.661983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.661983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.661983 (E_RNA)
where:
Base-Base interactions energy: -311.946
where: short stacking energy: -131.630
Base-Backbone interact. energy: 2.709
local terms energy: -171.424749
where:
bonds (distance) C4'-P energy: -37.865
bonds (distance) P-C4' energy: -44.263
flat angles C4'-P-C4' energy: -37.541
flat angles P-C4'-P energy: -25.140
tors. eta vs tors. theta energy: -26.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -485.524243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.524243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.524243 (E_RNA)
where:
Base-Base interactions energy: -291.557
where: short stacking energy: -145.148
Base-Backbone interact. energy: -1.305
local terms energy: -192.662867
where:
bonds (distance) C4'-P energy: -36.675
bonds (distance) P-C4' energy: -41.867
flat angles C4'-P-C4' energy: -45.259
flat angles P-C4'-P energy: -23.904
tors. eta vs tors. theta energy: -44.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -421.093506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.093506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.093506 (E_RNA)
where:
Base-Base interactions energy: -264.799
where: short stacking energy: -120.981
Base-Backbone interact. energy: -1.106
local terms energy: -155.189050
where:
bonds (distance) C4'-P energy: -38.940
bonds (distance) P-C4' energy: -32.413
flat angles C4'-P-C4' energy: -34.749
flat angles P-C4'-P energy: -20.515
tors. eta vs tors. theta energy: -28.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -314.264587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.264587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.264587 (E_RNA)
where:
Base-Base interactions energy: -185.717
where: short stacking energy: -94.075
Base-Backbone interact. energy: -0.800
local terms energy: -127.747636
where:
bonds (distance) C4'-P energy: -26.194
bonds (distance) P-C4' energy: -37.496
flat angles C4'-P-C4' energy: -34.392
flat angles P-C4'-P energy: -23.539
tors. eta vs tors. theta energy: -6.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -219.735581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.735581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.735581 (E_RNA)
where:
Base-Base interactions energy: -85.965
where: short stacking energy: -64.350
Base-Backbone interact. energy: 0.946
local terms energy: -134.716457
where:
bonds (distance) C4'-P energy: -32.611
bonds (distance) P-C4' energy: -33.624
flat angles C4'-P-C4' energy: -41.300
flat angles P-C4'-P energy: -24.454
tors. eta vs tors. theta energy: -2.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -192.801428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.801428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.801428 (E_RNA)
where:
Base-Base interactions energy: -57.156
where: short stacking energy: -56.777
Base-Backbone interact. energy: -1.172
local terms energy: -134.472958
where:
bonds (distance) C4'-P energy: -32.197
bonds (distance) P-C4' energy: -34.864
flat angles C4'-P-C4' energy: -35.388
flat angles P-C4'-P energy: -26.502
tors. eta vs tors. theta energy: -5.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -180.160463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.160463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.160463 (E_RNA)
where:
Base-Base interactions energy: -64.009
where: short stacking energy: -60.034
Base-Backbone interact. energy: 2.115
local terms energy: -118.266587
where:
bonds (distance) C4'-P energy: -34.221
bonds (distance) P-C4' energy: -29.421
flat angles C4'-P-C4' energy: -40.172
flat angles P-C4'-P energy: -16.106
tors. eta vs tors. theta energy: 1.655
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: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -164.786607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.786607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.786607 (E_RNA)
where:
Base-Base interactions energy: -57.092
where: short stacking energy: -44.905
Base-Backbone interact. energy: -0.451
local terms energy: -107.243873
where:
bonds (distance) C4'-P energy: -27.770
bonds (distance) P-C4' energy: -30.572
flat angles C4'-P-C4' energy: -33.242
flat angles P-C4'-P energy: -16.778
tors. eta vs tors. theta energy: 1.118
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: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -568.145658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.145658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.145658 (E_RNA)
where:
Base-Base interactions energy: -366.448
where: short stacking energy: -169.902
Base-Backbone interact. energy: -0.341
local terms energy: -201.356166
where:
bonds (distance) C4'-P energy: -44.029
bonds (distance) P-C4' energy: -37.725
flat angles C4'-P-C4' energy: -43.342
flat angles P-C4'-P energy: -27.843
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: 5
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -576.538029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.538029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.538029 (E_RNA)
where:
Base-Base interactions energy: -370.718
where: short stacking energy: -166.402
Base-Backbone interact. energy: 0.104
local terms energy: -205.924029
where:
bonds (distance) C4'-P energy: -38.762
bonds (distance) P-C4' energy: -38.735
flat angles C4'-P-C4' energy: -43.668
flat angles P-C4'-P energy: -34.355
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: 3, replica: 4
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -484.803596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.803596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.803596 (E_RNA)
where:
Base-Base interactions energy: -289.562
where: short stacking energy: -160.303
Base-Backbone interact. energy: -0.501
local terms energy: -194.741350
where:
bonds (distance) C4'-P energy: -36.273
bonds (distance) P-C4' energy: -43.240
flat angles C4'-P-C4' energy: -40.351
flat angles P-C4'-P energy: -30.222
tors. eta vs tors. theta energy: -44.655
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: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -443.596823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.596823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.596823 (E_RNA)
where:
Base-Base interactions energy: -275.966
where: short stacking energy: -111.274
Base-Backbone interact. energy: -0.793
local terms energy: -166.837599
where:
bonds (distance) C4'-P energy: -36.966
bonds (distance) P-C4' energy: -41.168
flat angles C4'-P-C4' energy: -34.490
flat angles P-C4'-P energy: -32.673
tors. eta vs tors. theta energy: -21.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -404.107291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.107291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.107291 (E_RNA)
where:
Base-Base interactions energy: -255.480
where: short stacking energy: -116.185
Base-Backbone interact. energy: -0.676
local terms energy: -147.951858
where:
bonds (distance) C4'-P energy: -41.289
bonds (distance) P-C4' energy: -34.629
flat angles C4'-P-C4' energy: -27.775
flat angles P-C4'-P energy: -22.277
tors. eta vs tors. theta energy: -21.981
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: 7
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -331.010298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.010298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.010298 (E_RNA)
where:
Base-Base interactions energy: -196.915
where: short stacking energy: -96.955
Base-Backbone interact. energy: -3.000
local terms energy: -131.094634
where:
bonds (distance) C4'-P energy: -35.736
bonds (distance) P-C4' energy: -36.642
flat angles C4'-P-C4' energy: -28.574
flat angles P-C4'-P energy: -16.409
tors. eta vs tors. theta energy: -13.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -229.586955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.586955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.586955 (E_RNA)
where:
Base-Base interactions energy: -111.659
where: short stacking energy: -88.552
Base-Backbone interact. energy: -0.294
local terms energy: -117.634630
where:
bonds (distance) C4'-P energy: -22.774
bonds (distance) P-C4' energy: -33.689
flat angles C4'-P-C4' energy: -35.679
flat angles P-C4'-P energy: -14.814
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: 10
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -210.956372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.956372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.956372 (E_RNA)
where:
Base-Base interactions energy: -87.046
where: short stacking energy: -57.114
Base-Backbone interact. energy: 0.045
local terms energy: -123.954692
where:
bonds (distance) C4'-P energy: -34.670
bonds (distance) P-C4' energy: -30.029
flat angles C4'-P-C4' energy: -34.947
flat angles P-C4'-P energy: -22.575
tors. eta vs tors. theta energy: -1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -176.770192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.770192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.770192 (E_RNA)
where:
Base-Base interactions energy: -59.765
where: short stacking energy: -57.362
Base-Backbone interact. energy: -1.916
local terms energy: -115.089462
where:
bonds (distance) C4'-P energy: -37.073
bonds (distance) P-C4' energy: -23.138
flat angles C4'-P-C4' energy: -31.292
flat angles P-C4'-P energy: -23.980
tors. eta vs tors. theta energy: 0.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -169.085473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.085473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.085473 (E_RNA)
where:
Base-Base interactions energy: -46.836
where: short stacking energy: -41.733
Base-Backbone interact. energy: -0.705
local terms energy: -121.544259
where:
bonds (distance) C4'-P energy: -28.687
bonds (distance) P-C4' energy: -34.895
flat angles C4'-P-C4' energy: -31.797
flat angles P-C4'-P energy: -23.539
tors. eta vs tors. theta energy: -2.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -576.788917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.788917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.788917 (E_RNA)
where:
Base-Base interactions energy: -381.995
where: short stacking energy: -180.298
Base-Backbone interact. energy: -2.396
local terms energy: -192.397690
where:
bonds (distance) C4'-P energy: -38.857
bonds (distance) P-C4' energy: -39.164
flat angles C4'-P-C4' energy: -38.691
flat angles P-C4'-P energy: -27.193
tors. eta vs tors. theta energy: -48.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -596.447029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.447029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.447029 (E_RNA)
where:
Base-Base interactions energy: -385.382
where: short stacking energy: -185.160
Base-Backbone interact. energy: -1.758
local terms energy: -209.307671
where:
bonds (distance) C4'-P energy: -37.153
bonds (distance) P-C4' energy: -45.250
flat angles C4'-P-C4' energy: -49.020
flat angles P-C4'-P energy: -28.965
tors. eta vs tors. theta energy: -48.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -538.667533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.667533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.667533 (E_RNA)
where:
Base-Base interactions energy: -327.505
where: short stacking energy: -164.208
Base-Backbone interact. energy: -0.505
local terms energy: -210.656873
where:
bonds (distance) C4'-P energy: -39.173
bonds (distance) P-C4' energy: -37.518
flat angles C4'-P-C4' energy: -49.495
flat angles P-C4'-P energy: -33.382
tors. eta vs tors. theta energy: -51.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -434.082694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.082694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.082694 (E_RNA)
where:
Base-Base interactions energy: -263.951
where: short stacking energy: -126.952
Base-Backbone interact. energy: 3.023
local terms energy: -173.154606
where:
bonds (distance) C4'-P energy: -38.725
bonds (distance) P-C4' energy: -44.909
flat angles C4'-P-C4' energy: -31.245
flat angles P-C4'-P energy: -23.562
tors. eta vs tors. theta energy: -34.714
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: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -434.197040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.197040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.197040 (E_RNA)
where:
Base-Base interactions energy: -276.765
where: short stacking energy: -130.239
Base-Backbone interact. energy: 1.042
local terms energy: -158.473157
where:
bonds (distance) C4'-P energy: -31.810
bonds (distance) P-C4' energy: -38.422
flat angles C4'-P-C4' energy: -38.104
flat angles P-C4'-P energy: -27.532
tors. eta vs tors. theta energy: -22.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -345.350015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.350015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.350015 (E_RNA)
where:
Base-Base interactions energy: -194.869
where: short stacking energy: -113.167
Base-Backbone interact. energy: -0.145
local terms energy: -150.336037
where:
bonds (distance) C4'-P energy: -38.504
bonds (distance) P-C4' energy: -41.326
flat angles C4'-P-C4' energy: -38.107
flat angles P-C4'-P energy: -21.828
tors. eta vs tors. theta energy: -10.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -202.325318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.325318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.325318 (E_RNA)
where:
Base-Base interactions energy: -67.314
where: short stacking energy: -52.517
Base-Backbone interact. energy: -0.441
local terms energy: -134.570369
where:
bonds (distance) C4'-P energy: -41.719
bonds (distance) P-C4' energy: -44.983
flat angles C4'-P-C4' energy: -34.321
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -0.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -203.422434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.422434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.422434 (E_RNA)
where:
Base-Base interactions energy: -68.359
where: short stacking energy: -46.412
Base-Backbone interact. energy: -0.265
local terms energy: -134.797878
where:
bonds (distance) C4'-P energy: -38.236
bonds (distance) P-C4' energy: -30.274
flat angles C4'-P-C4' energy: -39.343
flat angles P-C4'-P energy: -21.229
tors. eta vs tors. theta energy: -5.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -196.077419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.077419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.077419 (E_RNA)
where:
Base-Base interactions energy: -83.849
where: short stacking energy: -55.917
Base-Backbone interact. energy: 1.783
local terms energy: -114.011459
where:
bonds (distance) C4'-P energy: -29.518
bonds (distance) P-C4' energy: -32.930
flat angles C4'-P-C4' energy: -22.120
flat angles P-C4'-P energy: -24.130
tors. eta vs tors. theta energy: -5.314
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: 8
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -200.175377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.175377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.175377 (E_RNA)
where:
Base-Base interactions energy: -95.753
where: short stacking energy: -53.847
Base-Backbone interact. energy: -0.476
local terms energy: -103.946350
where:
bonds (distance) C4'-P energy: -36.300
bonds (distance) P-C4' energy: -38.089
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -5.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -608.908251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.908251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.908251 (E_RNA)
where:
Base-Base interactions energy: -408.655
where: short stacking energy: -176.124
Base-Backbone interact. energy: -0.604
local terms energy: -199.649285
where:
bonds (distance) C4'-P energy: -38.418
bonds (distance) P-C4' energy: -38.347
flat angles C4'-P-C4' energy: -46.664
flat angles P-C4'-P energy: -27.181
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: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -557.635817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.635817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.635817 (E_RNA)
where:
Base-Base interactions energy: -359.877
where: short stacking energy: -162.432
Base-Backbone interact. energy: -1.304
local terms energy: -196.455166
where:
bonds (distance) C4'-P energy: -42.237
bonds (distance) P-C4' energy: -41.168
flat angles C4'-P-C4' energy: -43.673
flat angles P-C4'-P energy: -30.326
tors. eta vs tors. theta energy: -39.051
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: 4
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -551.520067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.520067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.520067 (E_RNA)
where:
Base-Base interactions energy: -351.519
where: short stacking energy: -181.619
Base-Backbone interact. energy: -0.659
local terms energy: -199.341833
where:
bonds (distance) C4'-P energy: -34.206
bonds (distance) P-C4' energy: -38.361
flat angles C4'-P-C4' energy: -40.179
flat angles P-C4'-P energy: -30.135
tors. eta vs tors. theta energy: -56.462
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: 6
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -448.026016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.026016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.026016 (E_RNA)
where:
Base-Base interactions energy: -275.508
where: short stacking energy: -127.622
Base-Backbone interact. energy: -0.658
local terms energy: -171.860184
where:
bonds (distance) C4'-P energy: -35.290
bonds (distance) P-C4' energy: -40.918
flat angles C4'-P-C4' energy: -41.211
flat angles P-C4'-P energy: -22.694
tors. eta vs tors. theta energy: -31.746
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: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -443.187385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.187385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.187385 (E_RNA)
where:
Base-Base interactions energy: -278.550
where: short stacking energy: -133.451
Base-Backbone interact. energy: -0.822
local terms energy: -163.815529
where:
bonds (distance) C4'-P energy: -34.722
bonds (distance) P-C4' energy: -46.858
flat angles C4'-P-C4' energy: -40.062
flat angles P-C4'-P energy: -15.870
tors. eta vs tors. theta energy: -26.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -378.860673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.860673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.860673 (E_RNA)
where:
Base-Base interactions energy: -219.486
where: short stacking energy: -130.364
Base-Backbone interact. energy: -0.607
local terms energy: -158.767533
where:
bonds (distance) C4'-P energy: -31.212
bonds (distance) P-C4' energy: -34.039
flat angles C4'-P-C4' energy: -33.134
flat angles P-C4'-P energy: -30.790
tors. eta vs tors. theta energy: -29.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -224.544569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.544569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.544569 (E_RNA)
where:
Base-Base interactions energy: -87.539
where: short stacking energy: -72.926
Base-Backbone interact. energy: -1.037
local terms energy: -135.968561
where:
bonds (distance) C4'-P energy: -31.074
bonds (distance) P-C4' energy: -40.853
flat angles C4'-P-C4' energy: -35.803
flat angles P-C4'-P energy: -24.888
tors. eta vs tors. theta energy: -3.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -210.243146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.243146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.243146 (E_RNA)
where:
Base-Base interactions energy: -102.778
where: short stacking energy: -73.682
Base-Backbone interact. energy: -0.429
local terms energy: -107.036688
where:
bonds (distance) C4'-P energy: -29.490
bonds (distance) P-C4' energy: -40.489
flat angles C4'-P-C4' energy: -26.100
flat angles P-C4'-P energy: -8.348
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: 9, replica: 8
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -176.471748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.471748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.471748 (E_RNA)
where:
Base-Base interactions energy: -57.315
where: short stacking energy: -57.100
Base-Backbone interact. energy: -0.254
local terms energy: -118.903265
where:
bonds (distance) C4'-P energy: -35.213
bonds (distance) P-C4' energy: -36.447
flat angles C4'-P-C4' energy: -27.754
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -7.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -166.181944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.181944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.181944 (E_RNA)
where:
Base-Base interactions energy: -62.596
where: short stacking energy: -39.288
Base-Backbone interact. energy: -1.219
local terms energy: -102.366659
where:
bonds (distance) C4'-P energy: -28.141
bonds (distance) P-C4' energy: -41.947
flat angles C4'-P-C4' energy: -26.665
flat angles P-C4'-P energy: -14.919
tors. eta vs tors. theta energy: 9.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -622.553145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.553145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.553145 (E_RNA)
where:
Base-Base interactions energy: -415.681
where: short stacking energy: -171.210
Base-Backbone interact. energy: -0.862
local terms energy: -206.010170
where:
bonds (distance) C4'-P energy: -42.215
bonds (distance) P-C4' energy: -37.722
flat angles C4'-P-C4' energy: -45.369
flat angles P-C4'-P energy: -31.226
tors. eta vs tors. theta energy: -49.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -572.341162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.341162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.341162 (E_RNA)
where:
Base-Base interactions energy: -396.046
where: short stacking energy: -154.155
Base-Backbone interact. energy: -3.162
local terms energy: -173.133655
where:
bonds (distance) C4'-P energy: -36.152
bonds (distance) P-C4' energy: -38.781
flat angles C4'-P-C4' energy: -36.413
flat angles P-C4'-P energy: -22.778
tors. eta vs tors. theta energy: -39.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -549.233446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.233446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.233446 (E_RNA)
where:
Base-Base interactions energy: -349.832
where: short stacking energy: -177.518
Base-Backbone interact. energy: -0.109
local terms energy: -199.292019
where:
bonds (distance) C4'-P energy: -37.215
bonds (distance) P-C4' energy: -36.762
flat angles C4'-P-C4' energy: -39.644
flat angles P-C4'-P energy: -30.046
tors. eta vs tors. theta energy: -55.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -428.934324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.934324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.934324 (E_RNA)
where:
Base-Base interactions energy: -276.328
where: short stacking energy: -114.410
Base-Backbone interact. energy: -0.769
local terms energy: -151.836725
where:
bonds (distance) C4'-P energy: -36.357
bonds (distance) P-C4' energy: -35.507
flat angles C4'-P-C4' energy: -35.494
flat angles P-C4'-P energy: -24.962
tors. eta vs tors. theta energy: -19.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -414.274821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.274821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.274821 (E_RNA)
where:
Base-Base interactions energy: -237.137
where: short stacking energy: -112.988
Base-Backbone interact. energy: -1.183
local terms energy: -175.954557
where:
bonds (distance) C4'-P energy: -39.481
bonds (distance) P-C4' energy: -34.267
flat angles C4'-P-C4' energy: -40.822
flat angles P-C4'-P energy: -31.342
tors. eta vs tors. theta energy: -30.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -379.372295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.372295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.372295 (E_RNA)
where:
Base-Base interactions energy: -225.668
where: short stacking energy: -123.881
Base-Backbone interact. energy: -0.337
local terms energy: -153.366881
where:
bonds (distance) C4'-P energy: -28.442
bonds (distance) P-C4' energy: -34.037
flat angles C4'-P-C4' energy: -40.905
flat angles P-C4'-P energy: -20.236
tors. eta vs tors. theta energy: -29.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -207.109597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.109597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.109597 (E_RNA)
where:
Base-Base interactions energy: -80.757
where: short stacking energy: -65.215
Base-Backbone interact. energy: -0.733
local terms energy: -125.619880
where:
bonds (distance) C4'-P energy: -36.333
bonds (distance) P-C4' energy: -36.070
flat angles C4'-P-C4' energy: -26.162
flat angles P-C4'-P energy: -21.992
tors. eta vs tors. theta energy: -5.062
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: 9
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -211.847343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.847343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.847343 (E_RNA)
where:
Base-Base interactions energy: -89.114
where: short stacking energy: -64.854
Base-Backbone interact. energy: -0.325
local terms energy: -122.408922
where:
bonds (distance) C4'-P energy: -32.581
bonds (distance) P-C4' energy: -35.768
flat angles C4'-P-C4' energy: -33.243
flat angles P-C4'-P energy: -15.858
tors. eta vs tors. theta energy: -4.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -186.154070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.154070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.154070 (E_RNA)
where:
Base-Base interactions energy: -79.208
where: short stacking energy: -58.876
Base-Backbone interact. energy: 0.117
local terms energy: -107.062496
where:
bonds (distance) C4'-P energy: -30.096
bonds (distance) P-C4' energy: -41.104
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -18.329
tors. eta vs tors. theta energy: -1.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -173.207083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.207083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.207083 (E_RNA)
where:
Base-Base interactions energy: -74.030
where: short stacking energy: -62.587
Base-Backbone interact. energy: 0.504
local terms energy: -99.681263
where:
bonds (distance) C4'-P energy: -35.089
bonds (distance) P-C4' energy: -23.600
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -29.627
tors. eta vs tors. theta energy: 1.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -585.647284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.647284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.647284 (E_RNA)
where:
Base-Base interactions energy: -385.738
where: short stacking energy: -157.252
Base-Backbone interact. energy: -0.810
local terms energy: -199.099379
where:
bonds (distance) C4'-P energy: -36.271
bonds (distance) P-C4' energy: -42.275
flat angles C4'-P-C4' energy: -44.105
flat angles P-C4'-P energy: -35.433
tors. eta vs tors. theta energy: -41.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -610.354838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.354838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.354838 (E_RNA)
where:
Base-Base interactions energy: -399.519
where: short stacking energy: -171.814
Base-Backbone interact. energy: -1.726
local terms energy: -209.110184
where:
bonds (distance) C4'-P energy: -45.944
bonds (distance) P-C4' energy: -36.035
flat angles C4'-P-C4' energy: -46.232
flat angles P-C4'-P energy: -27.794
tors. eta vs tors. theta energy: -53.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -573.212652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.212652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.212652 (E_RNA)
where:
Base-Base interactions energy: -384.464
where: short stacking energy: -185.937
Base-Backbone interact. energy: -1.458
local terms energy: -187.291118
where:
bonds (distance) C4'-P energy: -36.307
bonds (distance) P-C4' energy: -36.191
flat angles C4'-P-C4' energy: -40.249
flat angles P-C4'-P energy: -20.683
tors. eta vs tors. theta energy: -53.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -456.791366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.791366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.791366 (E_RNA)
where:
Base-Base interactions energy: -277.038
where: short stacking energy: -129.243
Base-Backbone interact. energy: -0.463
local terms energy: -179.290565
where:
bonds (distance) C4'-P energy: -30.293
bonds (distance) P-C4' energy: -44.211
flat angles C4'-P-C4' energy: -44.415
flat angles P-C4'-P energy: -25.871
tors. eta vs tors. theta energy: -34.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -440.151922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.151922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.151922 (E_RNA)
where:
Base-Base interactions energy: -275.869
where: short stacking energy: -126.367
Base-Backbone interact. energy: -0.241
local terms energy: -164.042338
where:
bonds (distance) C4'-P energy: -37.951
bonds (distance) P-C4' energy: -33.897
flat angles C4'-P-C4' energy: -38.059
flat angles P-C4'-P energy: -23.431
tors. eta vs tors. theta energy: -30.705
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: 6, replica: 7
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -380.021937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.021937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.021937 (E_RNA)
where:
Base-Base interactions energy: -205.986
where: short stacking energy: -120.475
Base-Backbone interact. energy: -0.977
local terms energy: -173.058838
where:
bonds (distance) C4'-P energy: -37.191
bonds (distance) P-C4' energy: -41.494
flat angles C4'-P-C4' energy: -38.255
flat angles P-C4'-P energy: -20.426
tors. eta vs tors. theta energy: -35.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -199.179084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.179084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.179084 (E_RNA)
where:
Base-Base interactions energy: -77.632
where: short stacking energy: -55.905
Base-Backbone interact. energy: 0.891
local terms energy: -122.437887
where:
bonds (distance) C4'-P energy: -23.788
bonds (distance) P-C4' energy: -51.357
flat angles C4'-P-C4' energy: -26.993
flat angles P-C4'-P energy: -19.065
tors. eta vs tors. theta energy: -1.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -235.290336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.290336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.290336 (E_RNA)
where:
Base-Base interactions energy: -106.443
where: short stacking energy: -73.015
Base-Backbone interact. energy: -0.515
local terms energy: -128.331430
where:
bonds (distance) C4'-P energy: -28.447
bonds (distance) P-C4' energy: -40.338
flat angles C4'-P-C4' energy: -29.152
flat angles P-C4'-P energy: -20.823
tors. eta vs tors. theta energy: -9.571
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: 9, replica: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -182.669269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.669269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.669269 (E_RNA)
where:
Base-Base interactions energy: -80.401
where: short stacking energy: -46.773
Base-Backbone interact. energy: -1.156
local terms energy: -101.112980
where:
bonds (distance) C4'-P energy: -40.593
bonds (distance) P-C4' energy: -30.999
flat angles C4'-P-C4' energy: -21.167
flat angles P-C4'-P energy: -19.659
tors. eta vs tors. theta energy: 11.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -169.446329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.446329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.446329 (E_RNA)
where:
Base-Base interactions energy: -51.838
where: short stacking energy: -47.309
Base-Backbone interact. energy: -0.567
local terms energy: -117.040885
where:
bonds (distance) C4'-P energy: -34.226
bonds (distance) P-C4' energy: -42.651
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -21.877
tors. eta vs tors. theta energy: -0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -581.376324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.376324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.376324 (E_RNA)
where:
Base-Base interactions energy: -391.314
where: short stacking energy: -169.388
Base-Backbone interact. energy: -1.786
local terms energy: -188.275445
where:
bonds (distance) C4'-P energy: -31.174
bonds (distance) P-C4' energy: -39.149
flat angles C4'-P-C4' energy: -44.421
flat angles P-C4'-P energy: -30.728
tors. eta vs tors. theta energy: -42.803
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: 31
Temperature: 0.950000
Total energy: -589.827946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.827946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.827946 (E_RNA)
where:
Base-Base interactions energy: -387.672
where: short stacking energy: -186.612
Base-Backbone interact. energy: -0.429
local terms energy: -201.726649
where:
bonds (distance) C4'-P energy: -40.006
bonds (distance) P-C4' energy: -36.331
flat angles C4'-P-C4' energy: -40.561
flat angles P-C4'-P energy: -29.240
tors. eta vs tors. theta energy: -55.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -590.139699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.139699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.139699 (E_RNA)
where:
Base-Base interactions energy: -390.728
where: short stacking energy: -176.422
Base-Backbone interact. energy: -0.323
local terms energy: -199.088805
where:
bonds (distance) C4'-P energy: -44.204
bonds (distance) P-C4' energy: -36.637
flat angles C4'-P-C4' energy: -39.730
flat angles P-C4'-P energy: -27.126
tors. eta vs tors. theta energy: -51.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -457.543531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.543531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.543531 (E_RNA)
where:
Base-Base interactions energy: -285.429
where: short stacking energy: -126.653
Base-Backbone interact. energy: -0.149
local terms energy: -171.965335
where:
bonds (distance) C4'-P energy: -32.214
bonds (distance) P-C4' energy: -41.217
flat angles C4'-P-C4' energy: -44.666
flat angles P-C4'-P energy: -26.897
tors. eta vs tors. theta energy: -26.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -438.679755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.679755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.679755 (E_RNA)
where:
Base-Base interactions energy: -276.894
where: short stacking energy: -108.791
Base-Backbone interact. energy: -1.450
local terms energy: -160.335581
where:
bonds (distance) C4'-P energy: -37.625
bonds (distance) P-C4' energy: -40.832
flat angles C4'-P-C4' energy: -30.896
flat angles P-C4'-P energy: -27.124
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: 6, replica: 7
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -389.888013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.888013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.888013 (E_RNA)
where:
Base-Base interactions energy: -257.280
where: short stacking energy: -108.171
Base-Backbone interact. energy: -1.302
local terms energy: -131.306044
where:
bonds (distance) C4'-P energy: -25.957
bonds (distance) P-C4' energy: -37.057
flat angles C4'-P-C4' energy: -24.448
flat angles P-C4'-P energy: -22.361
tors. eta vs tors. theta energy: -21.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -238.729404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.729404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.729404 (E_RNA)
where:
Base-Base interactions energy: -99.375
where: short stacking energy: -85.184
Base-Backbone interact. energy: -0.856
local terms energy: -138.497934
where:
bonds (distance) C4'-P energy: -38.975
bonds (distance) P-C4' energy: -30.411
flat angles C4'-P-C4' energy: -32.117
flat angles P-C4'-P energy: -23.487
tors. eta vs tors. theta energy: -13.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -251.411710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.411710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.411710 (E_RNA)
where:
Base-Base interactions energy: -114.162
where: short stacking energy: -60.015
Base-Backbone interact. energy: -0.273
local terms energy: -136.976831
where:
bonds (distance) C4'-P energy: -33.810
bonds (distance) P-C4' energy: -34.192
flat angles C4'-P-C4' energy: -35.322
flat angles P-C4'-P energy: -27.984
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: 8
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -187.363305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.363305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.363305 (E_RNA)
where:
Base-Base interactions energy: -70.570
where: short stacking energy: -70.960
Base-Backbone interact. energy: -0.517
local terms energy: -116.276891
where:
bonds (distance) C4'-P energy: -34.283
bonds (distance) P-C4' energy: -32.029
flat angles C4'-P-C4' energy: -26.681
flat angles P-C4'-P energy: -21.681
tors. eta vs tors. theta energy: -1.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -172.073147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.073147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.073147 (E_RNA)
where:
Base-Base interactions energy: -67.570
where: short stacking energy: -61.779
Base-Backbone interact. energy: -0.728
local terms energy: -103.775046
where:
bonds (distance) C4'-P energy: -37.252
bonds (distance) P-C4' energy: -34.957
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -14.664
tors. eta vs tors. theta energy: 1.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -582.131725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.131725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.131725 (E_RNA)
where:
Base-Base interactions energy: -403.151
where: short stacking energy: -166.469
Base-Backbone interact. energy: -0.469
local terms energy: -178.512073
where:
bonds (distance) C4'-P energy: -34.921
bonds (distance) P-C4' energy: -40.227
flat angles C4'-P-C4' energy: -41.562
flat angles P-C4'-P energy: -26.911
tors. eta vs tors. theta energy: -34.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -582.594106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.594106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.594106 (E_RNA)
where:
Base-Base interactions energy: -374.166
where: short stacking energy: -182.333
Base-Backbone interact. energy: -0.563
local terms energy: -207.865649
where:
bonds (distance) C4'-P energy: -41.305
bonds (distance) P-C4' energy: -40.515
flat angles C4'-P-C4' energy: -41.545
flat angles P-C4'-P energy: -30.074
tors. eta vs tors. theta energy: -54.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -578.802348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.802348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.802348 (E_RNA)
where:
Base-Base interactions energy: -392.094
where: short stacking energy: -179.253
Base-Backbone interact. energy: -0.575
local terms energy: -186.133637
where:
bonds (distance) C4'-P energy: -33.682
bonds (distance) P-C4' energy: -33.455
flat angles C4'-P-C4' energy: -39.154
flat angles P-C4'-P energy: -29.090
tors. eta vs tors. theta energy: -50.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -436.329546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.329546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.329546 (E_RNA)
where:
Base-Base interactions energy: -259.280
where: short stacking energy: -116.013
Base-Backbone interact. energy: -0.887
local terms energy: -176.163198
where:
bonds (distance) C4'-P energy: -41.420
bonds (distance) P-C4' energy: -41.055
flat angles C4'-P-C4' energy: -38.514
flat angles P-C4'-P energy: -27.074
tors. eta vs tors. theta energy: -28.100
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: 7
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -396.154718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.154718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.154718 (E_RNA)
where:
Base-Base interactions energy: -243.829
where: short stacking energy: -116.825
Base-Backbone interact. energy: -0.287
local terms energy: -152.038463
where:
bonds (distance) C4'-P energy: -38.348
bonds (distance) P-C4' energy: -28.944
flat angles C4'-P-C4' energy: -34.863
flat angles P-C4'-P energy: -20.123
tors. eta vs tors. theta energy: -29.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -407.734644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.734644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.734644 (E_RNA)
where:
Base-Base interactions energy: -241.146
where: short stacking energy: -112.352
Base-Backbone interact. energy: -1.113
local terms energy: -165.475234
where:
bonds (distance) C4'-P energy: -35.570
bonds (distance) P-C4' energy: -37.024
flat angles C4'-P-C4' energy: -36.647
flat angles P-C4'-P energy: -24.682
tors. eta vs tors. theta energy: -31.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -271.125022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.125022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.125022 (E_RNA)
where:
Base-Base interactions energy: -143.081
where: short stacking energy: -76.068
Base-Backbone interact. energy: -1.269
local terms energy: -126.775021
where:
bonds (distance) C4'-P energy: -42.257
bonds (distance) P-C4' energy: -32.026
flat angles C4'-P-C4' energy: -24.057
flat angles P-C4'-P energy: -16.504
tors. eta vs tors. theta energy: -11.932
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: 3
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -200.789949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.789949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.789949 (E_RNA)
where:
Base-Base interactions energy: -79.082
where: short stacking energy: -68.350
Base-Backbone interact. energy: -0.212
local terms energy: -121.496147
where:
bonds (distance) C4'-P energy: -24.590
bonds (distance) P-C4' energy: -34.129
flat angles C4'-P-C4' energy: -30.096
flat angles P-C4'-P energy: -26.704
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: 9, replica: 10
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -192.566346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.566346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.566346 (E_RNA)
where:
Base-Base interactions energy: -64.840
where: short stacking energy: -59.584
Base-Backbone interact. energy: -0.738
local terms energy: -126.987848
where:
bonds (distance) C4'-P energy: -41.227
bonds (distance) P-C4' energy: -39.306
flat angles C4'-P-C4' energy: -34.873
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -0.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -164.879514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.879514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.879514 (E_RNA)
where:
Base-Base interactions energy: -53.947
where: short stacking energy: -38.709
Base-Backbone interact. energy: -0.539
local terms energy: -110.394228
where:
bonds (distance) C4'-P energy: -30.001
bonds (distance) P-C4' energy: -32.915
flat angles C4'-P-C4' energy: -35.365
flat angles P-C4'-P energy: -19.362
tors. eta vs tors. theta energy: 7.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -581.413316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.413316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.413316 (E_RNA)
where:
Base-Base interactions energy: -402.505
where: short stacking energy: -172.721
Base-Backbone interact. energy: -0.473
local terms energy: -178.435438
where:
bonds (distance) C4'-P energy: -36.659
bonds (distance) P-C4' energy: -38.718
flat angles C4'-P-C4' energy: -41.687
flat angles P-C4'-P energy: -20.697
tors. eta vs tors. theta energy: -40.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -612.126025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.126025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.126025 (E_RNA)
where:
Base-Base interactions energy: -412.710
where: short stacking energy: -189.172
Base-Backbone interact. energy: -0.712
local terms energy: -198.704150
where:
bonds (distance) C4'-P energy: -33.882
bonds (distance) P-C4' energy: -37.193
flat angles C4'-P-C4' energy: -46.145
flat angles P-C4'-P energy: -25.939
tors. eta vs tors. theta energy: -55.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -553.955114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.955114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.955114 (E_RNA)
where:
Base-Base interactions energy: -359.302
where: short stacking energy: -179.479
Base-Backbone interact. energy: -0.186
local terms energy: -194.467718
where:
bonds (distance) C4'-P energy: -33.487
bonds (distance) P-C4' energy: -41.696
flat angles C4'-P-C4' energy: -42.828
flat angles P-C4'-P energy: -23.979
tors. eta vs tors. theta energy: -52.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -452.283577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.283577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.283577 (E_RNA)
where:
Base-Base interactions energy: -271.679
where: short stacking energy: -139.145
Base-Backbone interact. energy: -0.370
local terms energy: -180.234482
where:
bonds (distance) C4'-P energy: -30.751
bonds (distance) P-C4' energy: -32.688
flat angles C4'-P-C4' energy: -45.007
flat angles P-C4'-P energy: -27.527
tors. eta vs tors. theta energy: -44.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -440.605279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.605279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.605279 (E_RNA)
where:
Base-Base interactions energy: -260.420
where: short stacking energy: -130.540
Base-Backbone interact. energy: -0.308
local terms energy: -179.876584
where:
bonds (distance) C4'-P energy: -35.383
bonds (distance) P-C4' energy: -42.147
flat angles C4'-P-C4' energy: -44.818
flat angles P-C4'-P energy: -26.479
tors. eta vs tors. theta energy: -31.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -423.863178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.863178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.863178 (E_RNA)
where:
Base-Base interactions energy: -262.441
where: short stacking energy: -105.324
Base-Backbone interact. energy: -0.485
local terms energy: -160.937855
where:
bonds (distance) C4'-P energy: -31.224
bonds (distance) P-C4' energy: -45.189
flat angles C4'-P-C4' energy: -39.472
flat angles P-C4'-P energy: -25.169
tors. eta vs tors. theta energy: -19.884
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: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -272.005883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.005883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.005883 (E_RNA)
where:
Base-Base interactions energy: -149.539
where: short stacking energy: -76.142
Base-Backbone interact. energy: -0.972
local terms energy: -121.494220
where:
bonds (distance) C4'-P energy: -28.128
bonds (distance) P-C4' energy: -32.741
flat angles C4'-P-C4' energy: -32.861
flat angles P-C4'-P energy: -25.874
tors. eta vs tors. theta energy: -1.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -200.228974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.228974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.228974 (E_RNA)
where:
Base-Base interactions energy: -73.678
where: short stacking energy: -59.649
Base-Backbone interact. energy: 0.884
local terms energy: -127.435219
where:
bonds (distance) C4'-P energy: -40.134
bonds (distance) P-C4' energy: -31.595
flat angles C4'-P-C4' energy: -33.334
flat angles P-C4'-P energy: -18.680
tors. eta vs tors. theta energy: -3.692
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: 9, replica: 3
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -197.526056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.526056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.526056 (E_RNA)
where:
Base-Base interactions energy: -66.739
where: short stacking energy: -49.663
Base-Backbone interact. energy: -2.535
local terms energy: -128.252605
where:
bonds (distance) C4'-P energy: -32.900
bonds (distance) P-C4' energy: -37.267
flat angles C4'-P-C4' energy: -25.037
flat angles P-C4'-P energy: -24.703
tors. eta vs tors. theta energy: -8.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -171.780977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.780977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.780977 (E_RNA)
where:
Base-Base interactions energy: -53.477
where: short stacking energy: -46.494
Base-Backbone interact. energy: -0.604
local terms energy: -117.699737
where:
bonds (distance) C4'-P energy: -38.734
bonds (distance) P-C4' energy: -38.330
flat angles C4'-P-C4' energy: -29.490
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: 3.509
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: 1, replica: 5
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -615.453559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.453559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.453559 (E_RNA)
where:
Base-Base interactions energy: -408.048
where: short stacking energy: -177.922
Base-Backbone interact. energy: -1.588
local terms energy: -205.817695
where:
bonds (distance) C4'-P energy: -37.101
bonds (distance) P-C4' energy: -42.068
flat angles C4'-P-C4' energy: -47.135
flat angles P-C4'-P energy: -25.854
tors. eta vs tors. theta energy: -53.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -559.881732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.881732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.881732 (E_RNA)
where:
Base-Base interactions energy: -372.730
where: short stacking energy: -146.291
Base-Backbone interact. energy: -0.756
local terms energy: -186.395688
where:
bonds (distance) C4'-P energy: -41.851
bonds (distance) P-C4' energy: -43.756
flat angles C4'-P-C4' energy: -40.853
flat angles P-C4'-P energy: -23.772
tors. eta vs tors. theta energy: -36.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -559.094557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.094557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.094557 (E_RNA)
where:
Base-Base interactions energy: -349.556
where: short stacking energy: -169.933
Base-Backbone interact. energy: -1.044
local terms energy: -208.494326
where:
bonds (distance) C4'-P energy: -39.578
bonds (distance) P-C4' energy: -39.302
flat angles C4'-P-C4' energy: -44.141
flat angles P-C4'-P energy: -32.096
tors. eta vs tors. theta energy: -53.378
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: 7
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -464.109657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.109657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.109657 (E_RNA)
where:
Base-Base interactions energy: -280.011
where: short stacking energy: -139.655
Base-Backbone interact. energy: -0.591
local terms energy: -183.508395
where:
bonds (distance) C4'-P energy: -36.569
bonds (distance) P-C4' energy: -40.135
flat angles C4'-P-C4' energy: -38.574
flat angles P-C4'-P energy: -31.748
tors. eta vs tors. theta energy: -36.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -401.592894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.592894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.592894 (E_RNA)
where:
Base-Base interactions energy: -249.956
where: short stacking energy: -116.826
Base-Backbone interact. energy: -0.630
local terms energy: -151.006811
where:
bonds (distance) C4'-P energy: -34.735
bonds (distance) P-C4' energy: -34.902
flat angles C4'-P-C4' energy: -35.443
flat angles P-C4'-P energy: -21.473
tors. eta vs tors. theta energy: -24.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -398.859797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.859797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.859797 (E_RNA)
where:
Base-Base interactions energy: -248.050
where: short stacking energy: -100.476
Base-Backbone interact. energy: -0.963
local terms energy: -149.846399
where:
bonds (distance) C4'-P energy: -35.429
bonds (distance) P-C4' energy: -37.953
flat angles C4'-P-C4' energy: -32.124
flat angles P-C4'-P energy: -24.133
tors. eta vs tors. theta energy: -20.207
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: 7, replica: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -301.741289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.741289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.741289 (E_RNA)
where:
Base-Base interactions energy: -156.877
where: short stacking energy: -72.405
Base-Backbone interact. energy: 2.111
local terms energy: -146.975597
where:
bonds (distance) C4'-P energy: -38.606
bonds (distance) P-C4' energy: -39.679
flat angles C4'-P-C4' energy: -36.448
flat angles P-C4'-P energy: -26.683
tors. eta vs tors. theta energy: -5.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -216.395399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.395399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.395399 (E_RNA)
where:
Base-Base interactions energy: -94.056
where: short stacking energy: -66.859
Base-Backbone interact. energy: 0.351
local terms energy: -122.690375
where:
bonds (distance) C4'-P energy: -30.451
bonds (distance) P-C4' energy: -36.568
flat angles C4'-P-C4' energy: -36.485
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -7.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -184.738703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.738703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.738703 (E_RNA)
where:
Base-Base interactions energy: -67.244
where: short stacking energy: -41.177
Base-Backbone interact. energy: 0.581
local terms energy: -118.075938
where:
bonds (distance) C4'-P energy: -34.208
bonds (distance) P-C4' energy: -41.951
flat angles C4'-P-C4' energy: -39.259
flat angles P-C4'-P energy: -4.207
tors. eta vs tors. theta energy: 1.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -216.552279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.552279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.552279 (E_RNA)
where:
Base-Base interactions energy: -109.664
where: short stacking energy: -66.398
Base-Backbone interact. energy: -0.131
local terms energy: -106.757454
where:
bonds (distance) C4'-P energy: -27.011
bonds (distance) P-C4' energy: -36.046
flat angles C4'-P-C4' energy: -25.949
flat angles P-C4'-P energy: -18.360
tors. eta vs tors. theta energy: 0.608
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: 5
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -620.410858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.410858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.410858 (E_RNA)
where:
Base-Base interactions energy: -402.675
where: short stacking energy: -190.252
Base-Backbone interact. energy: -0.575
local terms energy: -217.160904
where:
bonds (distance) C4'-P energy: -37.466
bonds (distance) P-C4' energy: -44.148
flat angles C4'-P-C4' energy: -43.913
flat angles P-C4'-P energy: -31.447
tors. eta vs tors. theta energy: -60.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -576.297728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.297728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.297728 (E_RNA)
where:
Base-Base interactions energy: -363.002
where: short stacking energy: -168.587
Base-Backbone interact. energy: -1.051
local terms energy: -212.244998
where:
bonds (distance) C4'-P energy: -42.705
bonds (distance) P-C4' energy: -38.852
flat angles C4'-P-C4' energy: -45.005
flat angles P-C4'-P energy: -31.826
tors. eta vs tors. theta energy: -53.858
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: 1
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -536.793946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.793946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.793946 (E_RNA)
where:
Base-Base interactions energy: -359.967
where: short stacking energy: -135.187
Base-Backbone interact. energy: -0.787
local terms energy: -176.039718
where:
bonds (distance) C4'-P energy: -38.494
bonds (distance) P-C4' energy: -39.026
flat angles C4'-P-C4' energy: -37.350
flat angles P-C4'-P energy: -27.014
tors. eta vs tors. theta energy: -34.157
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: 6
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -424.756194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.756194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.756194 (E_RNA)
where:
Base-Base interactions energy: -264.940
where: short stacking energy: -125.291
Base-Backbone interact. energy: -0.512
local terms energy: -159.304260
where:
bonds (distance) C4'-P energy: -34.299
bonds (distance) P-C4' energy: -44.000
flat angles C4'-P-C4' energy: -27.062
flat angles P-C4'-P energy: -26.913
tors. eta vs tors. theta energy: -27.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -461.178412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.178412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.178412 (E_RNA)
where:
Base-Base interactions energy: -280.058
where: short stacking energy: -151.288
Base-Backbone interact. energy: -0.210
local terms energy: -180.909709
where:
bonds (distance) C4'-P energy: -42.851
bonds (distance) P-C4' energy: -37.717
flat angles C4'-P-C4' energy: -32.751
flat angles P-C4'-P energy: -23.653
tors. eta vs tors. theta energy: -43.938
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: 2
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -400.752346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.752346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.752346 (E_RNA)
where:
Base-Base interactions energy: -250.999
where: short stacking energy: -111.091
Base-Backbone interact. energy: -1.236
local terms energy: -148.518068
where:
bonds (distance) C4'-P energy: -34.618
bonds (distance) P-C4' energy: -36.886
flat angles C4'-P-C4' energy: -34.484
flat angles P-C4'-P energy: -23.302
tors. eta vs tors. theta energy: -19.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -328.023480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.023480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.023480 (E_RNA)
where:
Base-Base interactions energy: -190.803
where: short stacking energy: -101.497
Base-Backbone interact. energy: 0.400
local terms energy: -137.620581
where:
bonds (distance) C4'-P energy: -29.134
bonds (distance) P-C4' energy: -40.630
flat angles C4'-P-C4' energy: -39.412
flat angles P-C4'-P energy: -16.153
tors. eta vs tors. theta energy: -12.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -238.687159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.687159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.687159 (E_RNA)
where:
Base-Base interactions energy: -114.732
where: short stacking energy: -84.165
Base-Backbone interact. energy: -0.523
local terms energy: -123.432621
where:
bonds (distance) C4'-P energy: -23.247
bonds (distance) P-C4' energy: -42.573
flat angles C4'-P-C4' energy: -26.948
flat angles P-C4'-P energy: -20.590
tors. eta vs tors. theta energy: -10.075
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: 9, replica: 10
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -195.636116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.636116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.636116 (E_RNA)
where:
Base-Base interactions energy: -70.055
where: short stacking energy: -65.007
Base-Backbone interact. energy: -0.996
local terms energy: -124.585042
where:
bonds (distance) C4'-P energy: -30.259
bonds (distance) P-C4' energy: -34.225
flat angles C4'-P-C4' energy: -24.766
flat angles P-C4'-P energy: -20.634
tors. eta vs tors. theta energy: -14.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -169.209013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.209013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.209013 (E_RNA)
where:
Base-Base interactions energy: -53.405
where: short stacking energy: -45.957
Base-Backbone interact. energy: 1.130
local terms energy: -116.934793
where:
bonds (distance) C4'-P energy: -28.695
bonds (distance) P-C4' energy: -39.986
flat angles C4'-P-C4' energy: -29.058
flat angles P-C4'-P energy: -19.947
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: 5
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -617.625426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.625426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.625426 (E_RNA)
where:
Base-Base interactions energy: -401.035
where: short stacking energy: -184.775
Base-Backbone interact. energy: -0.605
local terms energy: -215.984961
where:
bonds (distance) C4'-P energy: -37.712
bonds (distance) P-C4' energy: -44.632
flat angles C4'-P-C4' energy: -44.524
flat angles P-C4'-P energy: -31.768
tors. eta vs tors. theta energy: -57.349
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: 2, replica: 4
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -584.763203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.763203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.763203 (E_RNA)
where:
Base-Base interactions energy: -363.349
where: short stacking energy: -165.135
Base-Backbone interact. energy: -1.270
local terms energy: -220.144396
where:
bonds (distance) C4'-P energy: -43.290
bonds (distance) P-C4' energy: -42.852
flat angles C4'-P-C4' energy: -47.659
flat angles P-C4'-P energy: -31.197
tors. eta vs tors. theta energy: -55.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -533.093958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.093958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.093958 (E_RNA)
where:
Base-Base interactions energy: -354.508
where: short stacking energy: -142.768
Base-Backbone interact. energy: -1.210
local terms energy: -177.376231
where:
bonds (distance) C4'-P energy: -43.412
bonds (distance) P-C4' energy: -33.813
flat angles C4'-P-C4' energy: -34.314
flat angles P-C4'-P energy: -27.556
tors. eta vs tors. theta energy: -38.282
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: 6
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -436.855449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.855449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.855449 (E_RNA)
where:
Base-Base interactions energy: -258.712
where: short stacking energy: -121.697
Base-Backbone interact. energy: -0.243
local terms energy: -177.899975
where:
bonds (distance) C4'-P energy: -35.583
bonds (distance) P-C4' energy: -46.852
flat angles C4'-P-C4' energy: -36.330
flat angles P-C4'-P energy: -21.650
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: 5, replica: 7
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -458.250820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.250820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.250820 (E_RNA)
where:
Base-Base interactions energy: -275.967
where: short stacking energy: -134.631
Base-Backbone interact. energy: -0.446
local terms energy: -181.837818
where:
bonds (distance) C4'-P energy: -43.014
bonds (distance) P-C4' energy: -42.559
flat angles C4'-P-C4' energy: -33.598
flat angles P-C4'-P energy: -23.969
tors. eta vs tors. theta energy: -38.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -395.969497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.969497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.969497 (E_RNA)
where:
Base-Base interactions energy: -254.395
where: short stacking energy: -97.043
Base-Backbone interact. energy: 0.859
local terms energy: -142.433402
where:
bonds (distance) C4'-P energy: -36.009
bonds (distance) P-C4' energy: -33.560
flat angles C4'-P-C4' energy: -35.578
flat angles P-C4'-P energy: -22.139
tors. eta vs tors. theta energy: -15.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -316.073145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.073145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.073145 (E_RNA)
where:
Base-Base interactions energy: -173.302
where: short stacking energy: -95.871
Base-Backbone interact. energy: -0.749
local terms energy: -142.022573
where:
bonds (distance) C4'-P energy: -36.707
bonds (distance) P-C4' energy: -37.825
flat angles C4'-P-C4' energy: -35.512
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -18.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -208.862203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.862203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.862203 (E_RNA)
where:
Base-Base interactions energy: -100.284
where: short stacking energy: -66.076
Base-Backbone interact. energy: -0.355
local terms energy: -108.223369
where:
bonds (distance) C4'-P energy: -32.084
bonds (distance) P-C4' energy: -36.449
flat angles C4'-P-C4' energy: -30.241
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: 5.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -194.791347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.791347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.791347 (E_RNA)
where:
Base-Base interactions energy: -104.958
where: short stacking energy: -48.301
Base-Backbone interact. energy: 2.346
local terms energy: -92.179331
where:
bonds (distance) C4'-P energy: -25.471
bonds (distance) P-C4' energy: -30.943
flat angles C4'-P-C4' energy: -22.561
flat angles P-C4'-P energy: -16.030
tors. eta vs tors. theta energy: 2.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -167.784493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.784493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.784493 (E_RNA)
where:
Base-Base interactions energy: -57.329
where: short stacking energy: -56.893
Base-Backbone interact. energy: 0.985
local terms energy: -111.440132
where:
bonds (distance) C4'-P energy: -27.034
bonds (distance) P-C4' energy: -33.224
flat angles C4'-P-C4' energy: -27.821
flat angles P-C4'-P energy: -17.810
tors. eta vs tors. theta energy: -5.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -615.365285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.365285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.365285 (E_RNA)
where:
Base-Base interactions energy: -402.594
where: short stacking energy: -197.280
Base-Backbone interact. energy: -0.297
local terms energy: -212.474046
where:
bonds (distance) C4'-P energy: -44.169
bonds (distance) P-C4' energy: -36.551
flat angles C4'-P-C4' energy: -45.893
flat angles P-C4'-P energy: -31.063
tors. eta vs tors. theta energy: -54.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -552.944492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.944492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.944492 (E_RNA)
where:
Base-Base interactions energy: -340.534
where: short stacking energy: -184.943
Base-Backbone interact. energy: -0.296
local terms energy: -212.114191
where:
bonds (distance) C4'-P energy: -39.080
bonds (distance) P-C4' energy: -42.427
flat angles C4'-P-C4' energy: -41.810
flat angles P-C4'-P energy: -34.754
tors. eta vs tors. theta energy: -54.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -533.103464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.103464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.103464 (E_RNA)
where:
Base-Base interactions energy: -353.489
where: short stacking energy: -147.300
Base-Backbone interact. energy: -0.803
local terms energy: -178.811690
where:
bonds (distance) C4'-P energy: -36.010
bonds (distance) P-C4' energy: -37.525
flat angles C4'-P-C4' energy: -38.588
flat angles P-C4'-P energy: -30.074
tors. eta vs tors. theta energy: -36.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -505.349103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.349103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.349103 (E_RNA)
where:
Base-Base interactions energy: -322.251
where: short stacking energy: -165.594
Base-Backbone interact. energy: -1.358
local terms energy: -181.740082
where:
bonds (distance) C4'-P energy: -41.962
bonds (distance) P-C4' energy: -35.412
flat angles C4'-P-C4' energy: -33.885
flat angles P-C4'-P energy: -30.760
tors. eta vs tors. theta energy: -39.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -427.827407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.827407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.827407 (E_RNA)
where:
Base-Base interactions energy: -247.206
where: short stacking energy: -119.570
Base-Backbone interact. energy: -0.399
local terms energy: -180.222919
where:
bonds (distance) C4'-P energy: -42.683
bonds (distance) P-C4' energy: -35.041
flat angles C4'-P-C4' energy: -40.123
flat angles P-C4'-P energy: -24.900
tors. eta vs tors. theta energy: -37.476
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: 6, replica: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -373.760088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.760088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.760088 (E_RNA)
where:
Base-Base interactions energy: -217.001
where: short stacking energy: -111.023
Base-Backbone interact. energy: -0.719
local terms energy: -156.040145
where:
bonds (distance) C4'-P energy: -33.418
bonds (distance) P-C4' energy: -37.227
flat angles C4'-P-C4' energy: -36.076
flat angles P-C4'-P energy: -30.020
tors. eta vs tors. theta energy: -19.300
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: 9
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -318.074501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.074501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.074501 (E_RNA)
where:
Base-Base interactions energy: -168.745
where: short stacking energy: -101.799
Base-Backbone interact. energy: 1.316
local terms energy: -150.645004
where:
bonds (distance) C4'-P energy: -37.522
bonds (distance) P-C4' energy: -39.099
flat angles C4'-P-C4' energy: -32.099
flat angles P-C4'-P energy: -21.608
tors. eta vs tors. theta energy: -20.317
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: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -186.901396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.901396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.901396 (E_RNA)
where:
Base-Base interactions energy: -65.192
where: short stacking energy: -41.639
Base-Backbone interact. energy: -0.559
local terms energy: -121.150515
where:
bonds (distance) C4'-P energy: -36.009
bonds (distance) P-C4' energy: -41.787
flat angles C4'-P-C4' energy: -30.203
flat angles P-C4'-P energy: -22.280
tors. eta vs tors. theta energy: 9.129
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: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -231.402517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.402517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.402517 (E_RNA)
where:
Base-Base interactions energy: -102.020
where: short stacking energy: -68.141
Base-Backbone interact. energy: -0.783
local terms energy: -128.599298
where:
bonds (distance) C4'-P energy: -27.470
bonds (distance) P-C4' energy: -41.294
flat angles C4'-P-C4' energy: -30.092
flat angles P-C4'-P energy: -25.273
tors. eta vs tors. theta energy: -4.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -158.681729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.681729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.681729 (E_RNA)
where:
Base-Base interactions energy: -59.107
where: short stacking energy: -38.531
Base-Backbone interact. energy: -0.506
local terms energy: -99.069211
where:
bonds (distance) C4'-P energy: -34.393
bonds (distance) P-C4' energy: -37.524
flat angles C4'-P-C4' energy: -29.314
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: 10.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -615.503894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.503894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.503894 (E_RNA)
where:
Base-Base interactions energy: -404.276
where: short stacking energy: -185.927
Base-Backbone interact. energy: -1.674
local terms energy: -209.554199
where:
bonds (distance) C4'-P energy: -35.817
bonds (distance) P-C4' energy: -41.709
flat angles C4'-P-C4' energy: -43.865
flat angles P-C4'-P energy: -31.135
tors. eta vs tors. theta energy: -57.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -589.285060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.285060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.285060 (E_RNA)
where:
Base-Base interactions energy: -375.494
where: short stacking energy: -183.608
Base-Backbone interact. energy: 2.660
local terms energy: -216.450928
where:
bonds (distance) C4'-P energy: -45.298
bonds (distance) P-C4' energy: -38.746
flat angles C4'-P-C4' energy: -43.371
flat angles P-C4'-P energy: -33.639
tors. eta vs tors. theta energy: -55.396
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: 3, replica: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -536.813509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.813509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.813509 (E_RNA)
where:
Base-Base interactions energy: -348.839
where: short stacking energy: -155.379
Base-Backbone interact. energy: -0.019
local terms energy: -187.955528
where:
bonds (distance) C4'-P energy: -32.744
bonds (distance) P-C4' energy: -38.973
flat angles C4'-P-C4' energy: -42.170
flat angles P-C4'-P energy: -30.643
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: 4, replica: 7
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -495.846525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.846525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.846525 (E_RNA)
where:
Base-Base interactions energy: -311.476
where: short stacking energy: -166.282
Base-Backbone interact. energy: -1.138
local terms energy: -183.232798
where:
bonds (distance) C4'-P energy: -36.623
bonds (distance) P-C4' energy: -36.680
flat angles C4'-P-C4' energy: -38.269
flat angles P-C4'-P energy: -25.179
tors. eta vs tors. theta energy: -46.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -428.432481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.432481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.432481 (E_RNA)
where:
Base-Base interactions energy: -259.561
where: short stacking energy: -127.938
Base-Backbone interact. energy: -0.300
local terms energy: -168.570511
where:
bonds (distance) C4'-P energy: -35.477
bonds (distance) P-C4' energy: -37.548
flat angles C4'-P-C4' energy: -33.052
flat angles P-C4'-P energy: -28.245
tors. eta vs tors. theta energy: -34.248
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: 6, replica: 2
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -395.278247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.278247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.278247 (E_RNA)
where:
Base-Base interactions energy: -237.852
where: short stacking energy: -92.057
Base-Backbone interact. energy: -0.671
local terms energy: -156.755517
where:
bonds (distance) C4'-P energy: -34.861
bonds (distance) P-C4' energy: -36.791
flat angles C4'-P-C4' energy: -38.557
flat angles P-C4'-P energy: -24.972
tors. eta vs tors. theta energy: -21.574
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: 9
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -302.491174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.491174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.491174 (E_RNA)
where:
Base-Base interactions energy: -152.012
where: short stacking energy: -84.884
Base-Backbone interact. energy: -0.801
local terms energy: -149.677554
where:
bonds (distance) C4'-P energy: -26.590
bonds (distance) P-C4' energy: -41.694
flat angles C4'-P-C4' energy: -40.239
flat angles P-C4'-P energy: -23.575
tors. eta vs tors. theta energy: -17.579
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: 8
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -190.389766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.389766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.389766 (E_RNA)
where:
Base-Base interactions energy: -59.488
where: short stacking energy: -47.079
Base-Backbone interact. energy: -0.072
local terms energy: -130.830045
where:
bonds (distance) C4'-P energy: -36.267
bonds (distance) P-C4' energy: -41.781
flat angles C4'-P-C4' energy: -26.377
flat angles P-C4'-P energy: -23.940
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: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -182.374789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.374789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.374789 (E_RNA)
where:
Base-Base interactions energy: -57.342
where: short stacking energy: -43.311
Base-Backbone interact. energy: -0.322
local terms energy: -124.710502
where:
bonds (distance) C4'-P energy: -34.267
bonds (distance) P-C4' energy: -29.712
flat angles C4'-P-C4' energy: -41.990
flat angles P-C4'-P energy: -20.883
tors. eta vs tors. theta energy: 2.143
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: 3
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -169.331071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.331071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.331071 (E_RNA)
where:
Base-Base interactions energy: -54.872
where: short stacking energy: -47.454
Base-Backbone interact. energy: -0.882
local terms energy: -113.577224
where:
bonds (distance) C4'-P energy: -40.611
bonds (distance) P-C4' energy: -38.080
flat angles C4'-P-C4' energy: -26.620
flat angles P-C4'-P energy: -21.554
tors. eta vs tors. theta energy: 13.287
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: 5
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -601.827644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.827644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.827644 (E_RNA)
where:
Base-Base interactions energy: -400.021
where: short stacking energy: -188.208
Base-Backbone interact. energy: -0.069
local terms energy: -201.737633
where:
bonds (distance) C4'-P energy: -29.299
bonds (distance) P-C4' energy: -39.120
flat angles C4'-P-C4' energy: -42.317
flat angles P-C4'-P energy: -33.763
tors. eta vs tors. theta energy: -57.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -571.001467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.001467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.001467 (E_RNA)
where:
Base-Base interactions energy: -363.222
where: short stacking energy: -178.629
Base-Backbone interact. energy: -0.038
local terms energy: -207.741457
where:
bonds (distance) C4'-P energy: -39.139
bonds (distance) P-C4' energy: -42.588
flat angles C4'-P-C4' energy: -37.808
flat angles P-C4'-P energy: -29.360
tors. eta vs tors. theta energy: -58.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -512.430468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.430468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.430468 (E_RNA)
where:
Base-Base interactions energy: -345.123
where: short stacking energy: -156.654
Base-Backbone interact. energy: -1.983
local terms energy: -165.324767
where:
bonds (distance) C4'-P energy: -36.514
bonds (distance) P-C4' energy: -26.382
flat angles C4'-P-C4' energy: -35.520
flat angles P-C4'-P energy: -31.847
tors. eta vs tors. theta energy: -35.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -523.480492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.480492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.480492 (E_RNA)
where:
Base-Base interactions energy: -327.905
where: short stacking energy: -167.790
Base-Backbone interact. energy: -0.830
local terms energy: -194.745573
where:
bonds (distance) C4'-P energy: -35.262
bonds (distance) P-C4' energy: -40.469
flat angles C4'-P-C4' energy: -35.801
flat angles P-C4'-P energy: -33.660
tors. eta vs tors. theta energy: -49.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -431.910233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.910233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.910233 (E_RNA)
where:
Base-Base interactions energy: -273.313
where: short stacking energy: -128.531
Base-Backbone interact. energy: -0.814
local terms energy: -157.782481
where:
bonds (distance) C4'-P energy: -35.069
bonds (distance) P-C4' energy: -39.782
flat angles C4'-P-C4' energy: -33.254
flat angles P-C4'-P energy: -19.364
tors. eta vs tors. theta energy: -30.314
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: 6, replica: 2
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -388.537113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.537113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.537113 (E_RNA)
where:
Base-Base interactions energy: -224.762
where: short stacking energy: -104.392
Base-Backbone interact. energy: -2.410
local terms energy: -161.364478
where:
bonds (distance) C4'-P energy: -35.024
bonds (distance) P-C4' energy: -39.840
flat angles C4'-P-C4' energy: -43.121
flat angles P-C4'-P energy: -21.068
tors. eta vs tors. theta energy: -22.311
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: 9
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -328.445670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.445670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.445670 (E_RNA)
where:
Base-Base interactions energy: -199.109
where: short stacking energy: -84.377
Base-Backbone interact. energy: -0.994
local terms energy: -128.342233
where:
bonds (distance) C4'-P energy: -24.537
bonds (distance) P-C4' energy: -38.142
flat angles C4'-P-C4' energy: -31.908
flat angles P-C4'-P energy: -18.935
tors. eta vs tors. theta energy: -14.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -199.147945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.147945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.147945 (E_RNA)
where:
Base-Base interactions energy: -61.097
where: short stacking energy: -56.195
Base-Backbone interact. energy: -1.207
local terms energy: -136.844007
where:
bonds (distance) C4'-P energy: -31.566
bonds (distance) P-C4' energy: -35.494
flat angles C4'-P-C4' energy: -37.318
flat angles P-C4'-P energy: -28.326
tors. eta vs tors. theta energy: -4.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -207.768587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.768587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.768587 (E_RNA)
where:
Base-Base interactions energy: -93.729
where: short stacking energy: -62.312
Base-Backbone interact. energy: -1.058
local terms energy: -112.981147
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -37.581
flat angles C4'-P-C4' energy: -26.972
flat angles P-C4'-P energy: -26.618
tors. eta vs tors. theta energy: -3.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -172.418573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.418573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.418573 (E_RNA)
where:
Base-Base interactions energy: -56.148
where: short stacking energy: -37.890
Base-Backbone interact. energy: 1.542
local terms energy: -117.813333
where:
bonds (distance) C4'-P energy: -41.797
bonds (distance) P-C4' energy: -35.362
flat angles C4'-P-C4' energy: -30.589
flat angles P-C4'-P energy: -18.281
tors. eta vs tors. theta energy: 8.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -628.110972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.110972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.110972 (E_RNA)
where:
Base-Base interactions energy: -423.688
where: short stacking energy: -189.338
Base-Backbone interact. energy: 0.028
local terms energy: -204.451074
where:
bonds (distance) C4'-P energy: -42.641
bonds (distance) P-C4' energy: -31.947
flat angles C4'-P-C4' energy: -42.627
flat angles P-C4'-P energy: -25.281
tors. eta vs tors. theta energy: -61.955
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: 4
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -579.949228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.949228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.949228 (E_RNA)
where:
Base-Base interactions energy: -376.659
where: short stacking energy: -177.309
Base-Backbone interact. energy: -0.308
local terms energy: -202.981596
where:
bonds (distance) C4'-P energy: -36.437
bonds (distance) P-C4' energy: -40.229
flat angles C4'-P-C4' energy: -40.828
flat angles P-C4'-P energy: -29.177
tors. eta vs tors. theta energy: -56.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -505.104922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.104922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.104922 (E_RNA)
where:
Base-Base interactions energy: -309.452
where: short stacking energy: -160.499
Base-Backbone interact. energy: -0.407
local terms energy: -195.245701
where:
bonds (distance) C4'-P energy: -37.606
bonds (distance) P-C4' energy: -43.222
flat angles C4'-P-C4' energy: -46.825
flat angles P-C4'-P energy: -26.072
tors. eta vs tors. theta energy: -41.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -506.441923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.441923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.441923 (E_RNA)
where:
Base-Base interactions energy: -315.912
where: short stacking energy: -136.727
Base-Backbone interact. energy: -0.985
local terms energy: -189.544878
where:
bonds (distance) C4'-P energy: -38.043
bonds (distance) P-C4' energy: -44.343
flat angles C4'-P-C4' energy: -40.856
flat angles P-C4'-P energy: -28.294
tors. eta vs tors. theta energy: -38.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -433.484265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.484265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.484265 (E_RNA)
where:
Base-Base interactions energy: -260.077
where: short stacking energy: -128.938
Base-Backbone interact. energy: -0.168
local terms energy: -173.239349
where:
bonds (distance) C4'-P energy: -28.628
bonds (distance) P-C4' energy: -41.716
flat angles C4'-P-C4' energy: -39.552
flat angles P-C4'-P energy: -24.702
tors. eta vs tors. theta energy: -38.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -402.509780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.509780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.509780 (E_RNA)
where:
Base-Base interactions energy: -241.528
where: short stacking energy: -109.584
Base-Backbone interact. energy: 3.604
local terms energy: -164.586710
where:
bonds (distance) C4'-P energy: -38.382
bonds (distance) P-C4' energy: -32.440
flat angles C4'-P-C4' energy: -42.452
flat angles P-C4'-P energy: -27.542
tors. eta vs tors. theta energy: -23.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -319.097721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.097721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.097721 (E_RNA)
where:
Base-Base interactions energy: -180.952
where: short stacking energy: -74.656
Base-Backbone interact. energy: -0.859
local terms energy: -137.286850
where:
bonds (distance) C4'-P energy: -34.851
bonds (distance) P-C4' energy: -33.778
flat angles C4'-P-C4' energy: -31.877
flat angles P-C4'-P energy: -24.104
tors. eta vs tors. theta energy: -12.677
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: 40
Temperature: 1.250000
Total energy: -222.477037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.477037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.477037 (E_RNA)
where:
Base-Base interactions energy: -111.464
where: short stacking energy: -56.138
Base-Backbone interact. energy: -1.168
local terms energy: -109.845467
where:
bonds (distance) C4'-P energy: -30.251
bonds (distance) P-C4' energy: -33.065
flat angles C4'-P-C4' energy: -20.328
flat angles P-C4'-P energy: -24.966
tors. eta vs tors. theta energy: -1.236
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: 9, replica: 3
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -173.798156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.798156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.798156 (E_RNA)
where:
Base-Base interactions energy: -60.585
where: short stacking energy: -41.909
Base-Backbone interact. energy: -0.414
local terms energy: -112.798987
where:
bonds (distance) C4'-P energy: -32.283
bonds (distance) P-C4' energy: -33.959
flat angles C4'-P-C4' energy: -26.935
flat angles P-C4'-P energy: -20.515
tors. eta vs tors. theta energy: 0.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -162.647153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.647153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.647153 (E_RNA)
where:
Base-Base interactions energy: -52.639
where: short stacking energy: -48.578
Base-Backbone interact. energy: -0.676
local terms energy: -109.332686
where:
bonds (distance) C4'-P energy: -35.940
bonds (distance) P-C4' energy: -39.963
flat angles C4'-P-C4' energy: -21.883
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: 1.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -635.158703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.158703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.158703 (E_RNA)
where:
Base-Base interactions energy: -427.673
where: short stacking energy: -192.596
Base-Backbone interact. energy: -0.839
local terms energy: -206.646386
where:
bonds (distance) C4'-P energy: -34.138
bonds (distance) P-C4' energy: -36.664
flat angles C4'-P-C4' energy: -42.652
flat angles P-C4'-P energy: -30.171
tors. eta vs tors. theta energy: -63.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -564.003888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.003888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.003888 (E_RNA)
where:
Base-Base interactions energy: -364.450
where: short stacking energy: -174.413
Base-Backbone interact. energy: 0.711
local terms energy: -200.264263
where:
bonds (distance) C4'-P energy: -39.774
bonds (distance) P-C4' energy: -37.421
flat angles C4'-P-C4' energy: -44.413
flat angles P-C4'-P energy: -29.988
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: 3, replica: 7
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -560.890721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.890721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.890721 (E_RNA)
where:
Base-Base interactions energy: -342.920
where: short stacking energy: -184.177
Base-Backbone interact. energy: 0.059
local terms energy: -218.030077
where:
bonds (distance) C4'-P energy: -41.980
bonds (distance) P-C4' energy: -42.086
flat angles C4'-P-C4' energy: -44.369
flat angles P-C4'-P energy: -37.001
tors. eta vs tors. theta energy: -52.594
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: 4, replica: 1
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -516.223119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.223119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.223119 (E_RNA)
where:
Base-Base interactions energy: -337.972
where: short stacking energy: -145.266
Base-Backbone interact. energy: -2.182
local terms energy: -176.069006
where:
bonds (distance) C4'-P energy: -36.502
bonds (distance) P-C4' energy: -41.259
flat angles C4'-P-C4' energy: -36.634
flat angles P-C4'-P energy: -26.257
tors. eta vs tors. theta energy: -35.417
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: 6
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -430.127977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.127977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.127977 (E_RNA)
where:
Base-Base interactions energy: -269.506
where: short stacking energy: -114.231
Base-Backbone interact. energy: -0.028
local terms energy: -160.594391
where:
bonds (distance) C4'-P energy: -33.403
bonds (distance) P-C4' energy: -30.901
flat angles C4'-P-C4' energy: -38.203
flat angles P-C4'-P energy: -26.579
tors. eta vs tors. theta energy: -31.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -424.135735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.135735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.135735 (E_RNA)
where:
Base-Base interactions energy: -268.746
where: short stacking energy: -111.532
Base-Backbone interact. energy: -1.340
local terms energy: -154.049582
where:
bonds (distance) C4'-P energy: -34.865
bonds (distance) P-C4' energy: -38.839
flat angles C4'-P-C4' energy: -32.351
flat angles P-C4'-P energy: -21.144
tors. eta vs tors. theta energy: -26.850
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: 9
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -319.954137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.954137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.954137 (E_RNA)
where:
Base-Base interactions energy: -176.789
where: short stacking energy: -87.406
Base-Backbone interact. energy: -1.123
local terms energy: -142.042371
where:
bonds (distance) C4'-P energy: -30.976
bonds (distance) P-C4' energy: -35.664
flat angles C4'-P-C4' energy: -33.700
flat angles P-C4'-P energy: -27.679
tors. eta vs tors. theta energy: -14.023
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: 8, replica: 3
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -221.499456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.499456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.499456 (E_RNA)
where:
Base-Base interactions energy: -87.726
where: short stacking energy: -75.359
Base-Backbone interact. energy: 1.047
local terms energy: -134.820813
where:
bonds (distance) C4'-P energy: -29.195
bonds (distance) P-C4' energy: -40.251
flat angles C4'-P-C4' energy: -30.918
flat angles P-C4'-P energy: -19.395
tors. eta vs tors. theta energy: -15.062
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: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -196.731960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.731960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.731960 (E_RNA)
where:
Base-Base interactions energy: -78.014
where: short stacking energy: -52.372
Base-Backbone interact. energy: -0.544
local terms energy: -118.173355
where:
bonds (distance) C4'-P energy: -31.037
bonds (distance) P-C4' energy: -31.485
flat angles C4'-P-C4' energy: -33.314
flat angles P-C4'-P energy: -21.096
tors. eta vs tors. theta energy: -1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -169.775551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.775551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.775551 (E_RNA)
where:
Base-Base interactions energy: -52.867
where: short stacking energy: -40.994
Base-Backbone interact. energy: -0.765
local terms energy: -116.143183
where:
bonds (distance) C4'-P energy: -36.367
bonds (distance) P-C4' energy: -42.834
flat angles C4'-P-C4' energy: -32.601
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: 7.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -624.475584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.475584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.475584 (E_RNA)
where:
Base-Base interactions energy: -413.975
where: short stacking energy: -183.968
Base-Backbone interact. energy: 0.834
local terms energy: -211.333818
where:
bonds (distance) C4'-P energy: -38.113
bonds (distance) P-C4' energy: -41.097
flat angles C4'-P-C4' energy: -39.900
flat angles P-C4'-P energy: -33.664
tors. eta vs tors. theta energy: -58.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -563.025236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.025236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.025236 (E_RNA)
where:
Base-Base interactions energy: -351.733
where: short stacking energy: -173.933
Base-Backbone interact. energy: -0.137
local terms energy: -211.155141
where:
bonds (distance) C4'-P energy: -39.216
bonds (distance) P-C4' energy: -43.411
flat angles C4'-P-C4' energy: -44.057
flat angles P-C4'-P energy: -29.672
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: 3, replica: 7
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -531.638240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.638240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.638240 (E_RNA)
where:
Base-Base interactions energy: -334.649
where: short stacking energy: -163.475
Base-Backbone interact. energy: 0.181
local terms energy: -197.170042
where:
bonds (distance) C4'-P energy: -39.959
bonds (distance) P-C4' energy: -40.899
flat angles C4'-P-C4' energy: -42.208
flat angles P-C4'-P energy: -25.764
tors. eta vs tors. theta energy: -48.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -511.424311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.424311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.424311 (E_RNA)
where:
Base-Base interactions energy: -335.325
where: short stacking energy: -149.124
Base-Backbone interact. energy: 0.652
local terms energy: -176.751469
where:
bonds (distance) C4'-P energy: -35.803
bonds (distance) P-C4' energy: -40.316
flat angles C4'-P-C4' energy: -43.176
flat angles P-C4'-P energy: -18.943
tors. eta vs tors. theta energy: -38.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -425.416118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.416118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.416118 (E_RNA)
where:
Base-Base interactions energy: -271.465
where: short stacking energy: -135.602
Base-Backbone interact. energy: 0.796
local terms energy: -154.747759
where:
bonds (distance) C4'-P energy: -39.907
bonds (distance) P-C4' energy: -36.120
flat angles C4'-P-C4' energy: -39.948
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -25.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -429.400111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.400111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.400111 (E_RNA)
where:
Base-Base interactions energy: -266.618
where: short stacking energy: -122.985
Base-Backbone interact. energy: -1.068
local terms energy: -161.714521
where:
bonds (distance) C4'-P energy: -30.761
bonds (distance) P-C4' energy: -45.218
flat angles C4'-P-C4' energy: -35.781
flat angles P-C4'-P energy: -21.028
tors. eta vs tors. theta energy: -28.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -292.770679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.770679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.770679 (E_RNA)
where:
Base-Base interactions energy: -171.554
where: short stacking energy: -69.253
Base-Backbone interact. energy: -1.282
local terms energy: -119.934057
where:
bonds (distance) C4'-P energy: -24.170
bonds (distance) P-C4' energy: -32.254
flat angles C4'-P-C4' energy: -30.970
flat angles P-C4'-P energy: -21.907
tors. eta vs tors. theta energy: -10.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -221.654054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.654054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.654054 (E_RNA)
where:
Base-Base interactions energy: -111.441
where: short stacking energy: -59.942
Base-Backbone interact. energy: -0.386
local terms energy: -109.827483
where:
bonds (distance) C4'-P energy: -37.499
bonds (distance) P-C4' energy: -32.052
flat angles C4'-P-C4' energy: -22.854
flat angles P-C4'-P energy: -18.970
tors. eta vs tors. theta energy: 1.548
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: 8
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -202.247741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.247741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.247741 (E_RNA)
where:
Base-Base interactions energy: -81.673
where: short stacking energy: -46.666
Base-Backbone interact. energy: 1.840
local terms energy: -122.414696
where:
bonds (distance) C4'-P energy: -34.607
bonds (distance) P-C4' energy: -32.512
flat angles C4'-P-C4' energy: -33.347
flat angles P-C4'-P energy: -19.603
tors. eta vs tors. theta energy: -2.346
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: 42
Temperature: 1.350000
Total energy: -174.686811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.686811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.686811 (E_RNA)
where:
Base-Base interactions energy: -70.906
where: short stacking energy: -53.447
Base-Backbone interact. energy: -0.580
local terms energy: -103.201394
where:
bonds (distance) C4'-P energy: -27.804
bonds (distance) P-C4' energy: -32.882
flat angles C4'-P-C4' energy: -25.890
flat angles P-C4'-P energy: -20.381
tors. eta vs tors. theta energy: 3.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -638.095942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.095942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.095942 (E_RNA)
where:
Base-Base interactions energy: -433.893
where: short stacking energy: -174.337
Base-Backbone interact. energy: -0.038
local terms energy: -204.164925
where:
bonds (distance) C4'-P energy: -33.770
bonds (distance) P-C4' energy: -41.926
flat angles C4'-P-C4' energy: -41.189
flat angles P-C4'-P energy: -36.849
tors. eta vs tors. theta energy: -50.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -565.593474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.593474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.593474 (E_RNA)
where:
Base-Base interactions energy: -364.108
where: short stacking energy: -178.588
Base-Backbone interact. energy: -0.251
local terms energy: -201.234382
where:
bonds (distance) C4'-P energy: -33.689
bonds (distance) P-C4' energy: -43.831
flat angles C4'-P-C4' energy: -43.881
flat angles P-C4'-P energy: -28.081
tors. eta vs tors. theta energy: -51.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -533.810079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.810079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.810079 (E_RNA)
where:
Base-Base interactions energy: -350.266
where: short stacking energy: -174.750
Base-Backbone interact. energy: -0.593
local terms energy: -182.951726
where:
bonds (distance) C4'-P energy: -34.011
bonds (distance) P-C4' energy: -31.630
flat angles C4'-P-C4' energy: -39.267
flat angles P-C4'-P energy: -28.104
tors. eta vs tors. theta energy: -49.939
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: 1
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -515.116940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.116940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.116940 (E_RNA)
where:
Base-Base interactions energy: -329.503
where: short stacking energy: -148.533
Base-Backbone interact. energy: -1.578
local terms energy: -184.036834
where:
bonds (distance) C4'-P energy: -38.738
bonds (distance) P-C4' energy: -40.683
flat angles C4'-P-C4' energy: -40.130
flat angles P-C4'-P energy: -30.410
tors. eta vs tors. theta energy: -34.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -404.507684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.507684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.507684 (E_RNA)
where:
Base-Base interactions energy: -260.462
where: short stacking energy: -104.355
Base-Backbone interact. energy: -0.787
local terms energy: -143.258030
where:
bonds (distance) C4'-P energy: -28.445
bonds (distance) P-C4' energy: -35.374
flat angles C4'-P-C4' energy: -39.437
flat angles P-C4'-P energy: -24.041
tors. eta vs tors. theta energy: -15.960
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: 6
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -413.591317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.591317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.591317 (E_RNA)
where:
Base-Base interactions energy: -277.125
where: short stacking energy: -122.251
Base-Backbone interact. energy: -0.146
local terms energy: -136.321164
where:
bonds (distance) C4'-P energy: -32.578
bonds (distance) P-C4' energy: -37.935
flat angles C4'-P-C4' energy: -25.820
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -24.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -294.888078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.888078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.888078 (E_RNA)
where:
Base-Base interactions energy: -151.935
where: short stacking energy: -89.463
Base-Backbone interact. energy: -1.162
local terms energy: -141.790978
where:
bonds (distance) C4'-P energy: -31.878
bonds (distance) P-C4' energy: -38.775
flat angles C4'-P-C4' energy: -29.901
flat angles P-C4'-P energy: -25.167
tors. eta vs tors. theta energy: -16.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -194.069607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.069607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.069607 (E_RNA)
where:
Base-Base interactions energy: -72.268
where: short stacking energy: -65.455
Base-Backbone interact. energy: 1.213
local terms energy: -123.015062
where:
bonds (distance) C4'-P energy: -33.620
bonds (distance) P-C4' energy: -41.158
flat angles C4'-P-C4' energy: -26.441
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -9.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -251.680615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.680615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.680615 (E_RNA)
where:
Base-Base interactions energy: -126.399
where: short stacking energy: -70.769
Base-Backbone interact. energy: -1.287
local terms energy: -123.995081
where:
bonds (distance) C4'-P energy: -29.360
bonds (distance) P-C4' energy: -33.390
flat angles C4'-P-C4' energy: -28.321
flat angles P-C4'-P energy: -22.485
tors. eta vs tors. theta energy: -10.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -167.744575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.744575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.744575 (E_RNA)
where:
Base-Base interactions energy: -44.596
where: short stacking energy: -41.649
Base-Backbone interact. energy: -0.257
local terms energy: -122.891218
where:
bonds (distance) C4'-P energy: -37.999
bonds (distance) P-C4' energy: -42.155
flat angles C4'-P-C4' energy: -26.848
flat angles P-C4'-P energy: -21.404
tors. eta vs tors. theta energy: 5.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -659.431546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.431546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.431546 (E_RNA)
where:
Base-Base interactions energy: -444.390
where: short stacking energy: -188.035
Base-Backbone interact. energy: -0.558
local terms energy: -214.483288
where:
bonds (distance) C4'-P energy: -43.645
bonds (distance) P-C4' energy: -44.241
flat angles C4'-P-C4' energy: -42.233
flat angles P-C4'-P energy: -29.466
tors. eta vs tors. theta energy: -54.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -567.755431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.755431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.755431 (E_RNA)
where:
Base-Base interactions energy: -373.024
where: short stacking energy: -180.929
Base-Backbone interact. energy: -0.832
local terms energy: -193.900181
where:
bonds (distance) C4'-P energy: -34.647
bonds (distance) P-C4' energy: -40.885
flat angles C4'-P-C4' energy: -43.639
flat angles P-C4'-P energy: -19.362
tors. eta vs tors. theta energy: -55.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -582.936695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.936695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.936695 (E_RNA)
where:
Base-Base interactions energy: -374.402
where: short stacking energy: -174.825
Base-Backbone interact. energy: -0.177
local terms energy: -208.357441
where:
bonds (distance) C4'-P energy: -41.660
bonds (distance) P-C4' energy: -36.008
flat angles C4'-P-C4' energy: -39.545
flat angles P-C4'-P energy: -33.883
tors. eta vs tors. theta energy: -57.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -530.221012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.221012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.221012 (E_RNA)
where:
Base-Base interactions energy: -359.926
where: short stacking energy: -160.164
Base-Backbone interact. energy: 1.697
local terms energy: -171.991363
where:
bonds (distance) C4'-P energy: -35.590
bonds (distance) P-C4' energy: -35.876
flat angles C4'-P-C4' energy: -36.364
flat angles P-C4'-P energy: -26.555
tors. eta vs tors. theta energy: -37.606
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: 6
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -433.485985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.485985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.485985 (E_RNA)
where:
Base-Base interactions energy: -283.891
where: short stacking energy: -126.740
Base-Backbone interact. energy: 0.558
local terms energy: -150.153148
where:
bonds (distance) C4'-P energy: -38.134
bonds (distance) P-C4' energy: -37.144
flat angles C4'-P-C4' energy: -31.852
flat angles P-C4'-P energy: -17.379
tors. eta vs tors. theta energy: -25.644
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: 44
Temperature: 1.150000
Total energy: -424.943969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.943969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.943969 (E_RNA)
where:
Base-Base interactions energy: -264.944
where: short stacking energy: -112.240
Base-Backbone interact. energy: -0.616
local terms energy: -159.383766
where:
bonds (distance) C4'-P energy: -37.030
bonds (distance) P-C4' energy: -36.343
flat angles C4'-P-C4' energy: -35.021
flat angles P-C4'-P energy: -25.129
tors. eta vs tors. theta energy: -25.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -269.638563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.638563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.638563 (E_RNA)
where:
Base-Base interactions energy: -136.200
where: short stacking energy: -81.547
Base-Backbone interact. energy: -0.830
local terms energy: -132.608437
where:
bonds (distance) C4'-P energy: -36.894
bonds (distance) P-C4' energy: -30.527
flat angles C4'-P-C4' energy: -37.044
flat angles P-C4'-P energy: -22.212
tors. eta vs tors. theta energy: -5.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -184.549117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.549117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.549117 (E_RNA)
where:
Base-Base interactions energy: -74.874
where: short stacking energy: -56.296
Base-Backbone interact. energy: -0.478
local terms energy: -109.196821
where:
bonds (distance) C4'-P energy: -33.098
bonds (distance) P-C4' energy: -34.644
flat angles C4'-P-C4' energy: -35.886
flat angles P-C4'-P energy: -14.540
tors. eta vs tors. theta energy: 8.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -242.928719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.928719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.928719 (E_RNA)
where:
Base-Base interactions energy: -105.410
where: short stacking energy: -58.571
Base-Backbone interact. energy: 0.152
local terms energy: -137.671167
where:
bonds (distance) C4'-P energy: -32.608
bonds (distance) P-C4' energy: -42.226
flat angles C4'-P-C4' energy: -31.293
flat angles P-C4'-P energy: -19.007
tors. eta vs tors. theta energy: -12.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -183.808645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.808645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.808645 (E_RNA)
where:
Base-Base interactions energy: -58.177
where: short stacking energy: -46.692
Base-Backbone interact. energy: -0.374
local terms energy: -125.258017
where:
bonds (distance) C4'-P energy: -28.329
bonds (distance) P-C4' energy: -35.165
flat angles C4'-P-C4' energy: -40.117
flat angles P-C4'-P energy: -19.433
tors. eta vs tors. theta energy: -2.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -668.827159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.827159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.827159 (E_RNA)
where:
Base-Base interactions energy: -450.707
where: short stacking energy: -187.722
Base-Backbone interact. energy: -1.731
local terms energy: -216.388278
where:
bonds (distance) C4'-P energy: -42.215
bonds (distance) P-C4' energy: -38.510
flat angles C4'-P-C4' energy: -45.474
flat angles P-C4'-P energy: -30.005
tors. eta vs tors. theta energy: -60.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -631.967058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.967058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.967058 (E_RNA)
where:
Base-Base interactions energy: -423.418
where: short stacking energy: -193.743
Base-Backbone interact. energy: -1.081
local terms energy: -207.468309
where:
bonds (distance) C4'-P energy: -35.065
bonds (distance) P-C4' energy: -36.904
flat angles C4'-P-C4' energy: -43.192
flat angles P-C4'-P energy: -30.187
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: 3, replica: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -547.956879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.956879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.956879 (E_RNA)
where:
Base-Base interactions energy: -357.548
where: short stacking energy: -163.117
Base-Backbone interact. energy: 0.979
local terms energy: -191.387116
where:
bonds (distance) C4'-P energy: -34.824
bonds (distance) P-C4' energy: -34.805
flat angles C4'-P-C4' energy: -45.825
flat angles P-C4'-P energy: -23.592
tors. eta vs tors. theta energy: -52.341
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: 4, replica: 1
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -507.623972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.623972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.623972 (E_RNA)
where:
Base-Base interactions energy: -323.468
where: short stacking energy: -147.466
Base-Backbone interact. energy: -0.616
local terms energy: -183.540257
where:
bonds (distance) C4'-P energy: -42.470
bonds (distance) P-C4' energy: -35.391
flat angles C4'-P-C4' energy: -40.697
flat angles P-C4'-P energy: -29.812
tors. eta vs tors. theta energy: -35.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -449.816568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.816568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.816568 (E_RNA)
where:
Base-Base interactions energy: -300.322
where: short stacking energy: -120.931
Base-Backbone interact. energy: -0.934
local terms energy: -148.560871
where:
bonds (distance) C4'-P energy: -26.504
bonds (distance) P-C4' energy: -32.880
flat angles C4'-P-C4' energy: -38.202
flat angles P-C4'-P energy: -23.641
tors. eta vs tors. theta energy: -27.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -458.355945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.355945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.355945 (E_RNA)
where:
Base-Base interactions energy: -303.252
where: short stacking energy: -125.863
Base-Backbone interact. energy: -0.435
local terms energy: -154.669412
where:
bonds (distance) C4'-P energy: -32.328
bonds (distance) P-C4' energy: -29.513
flat angles C4'-P-C4' energy: -34.476
flat angles P-C4'-P energy: -26.593
tors. eta vs tors. theta energy: -31.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -237.698162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.698162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.698162 (E_RNA)
where:
Base-Base interactions energy: -113.028
where: short stacking energy: -73.327
Base-Backbone interact. energy: -0.712
local terms energy: -123.957888
where:
bonds (distance) C4'-P energy: -28.368
bonds (distance) P-C4' energy: -39.399
flat angles C4'-P-C4' energy: -30.239
flat angles P-C4'-P energy: -20.730
tors. eta vs tors. theta energy: -5.222
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: 3
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -255.589394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.589394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.589394 (E_RNA)
where:
Base-Base interactions energy: -133.131
where: short stacking energy: -75.091
Base-Backbone interact. energy: -0.564
local terms energy: -121.894332
where:
bonds (distance) C4'-P energy: -25.195
bonds (distance) P-C4' energy: -37.328
flat angles C4'-P-C4' energy: -34.477
flat angles P-C4'-P energy: -17.179
tors. eta vs tors. theta energy: -7.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -190.409682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.409682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.409682 (E_RNA)
where:
Base-Base interactions energy: -59.715
where: short stacking energy: -54.832
Base-Backbone interact. energy: -0.178
local terms energy: -130.516343
where:
bonds (distance) C4'-P energy: -34.857
bonds (distance) P-C4' energy: -36.457
flat angles C4'-P-C4' energy: -38.028
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -6.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -169.619594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.619594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.619594 (E_RNA)
where:
Base-Base interactions energy: -53.584
where: short stacking energy: -42.115
Base-Backbone interact. energy: -1.244
local terms energy: -114.791464
where:
bonds (distance) C4'-P energy: -37.519
bonds (distance) P-C4' energy: -30.313
flat angles C4'-P-C4' energy: -26.446
flat angles P-C4'-P energy: -20.343
tors. eta vs tors. theta energy: -0.170
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: 5
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -650.041975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.041975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.041975 (E_RNA)
where:
Base-Base interactions energy: -439.697
where: short stacking energy: -187.218
Base-Backbone interact. energy: -0.319
local terms energy: -210.026582
where:
bonds (distance) C4'-P energy: -35.454
bonds (distance) P-C4' energy: -35.762
flat angles C4'-P-C4' energy: -49.692
flat angles P-C4'-P energy: -35.899
tors. eta vs tors. theta energy: -53.220
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: 7
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -625.743333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.743333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.743333 (E_RNA)
where:
Base-Base interactions energy: -405.298
where: short stacking energy: -199.748
Base-Backbone interact. energy: -1.006
local terms energy: -219.439655
where:
bonds (distance) C4'-P energy: -40.457
bonds (distance) P-C4' energy: -44.052
flat angles C4'-P-C4' energy: -44.779
flat angles P-C4'-P energy: -26.696
tors. eta vs tors. theta energy: -63.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -514.712110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.712110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.712110 (E_RNA)
where:
Base-Base interactions energy: -320.534
where: short stacking energy: -167.473
Base-Backbone interact. energy: -0.488
local terms energy: -193.690269
where:
bonds (distance) C4'-P energy: -30.166
bonds (distance) P-C4' energy: -36.818
flat angles C4'-P-C4' energy: -40.820
flat angles P-C4'-P energy: -29.908
tors. eta vs tors. theta energy: -55.978
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: 1
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -504.287027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.287027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.287027 (E_RNA)
where:
Base-Base interactions energy: -324.518
where: short stacking energy: -155.302
Base-Backbone interact. energy: -2.394
local terms energy: -177.374831
where:
bonds (distance) C4'-P energy: -32.683
bonds (distance) P-C4' energy: -33.650
flat angles C4'-P-C4' energy: -41.925
flat angles P-C4'-P energy: -28.334
tors. eta vs tors. theta energy: -40.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -442.360786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.360786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.360786 (E_RNA)
where:
Base-Base interactions energy: -280.072
where: short stacking energy: -117.490
Base-Backbone interact. energy: -0.201
local terms energy: -162.088148
where:
bonds (distance) C4'-P energy: -33.391
bonds (distance) P-C4' energy: -38.790
flat angles C4'-P-C4' energy: -38.280
flat angles P-C4'-P energy: -26.402
tors. eta vs tors. theta energy: -25.226
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: 6
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -435.272219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.272219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.272219 (E_RNA)
where:
Base-Base interactions energy: -278.687
where: short stacking energy: -102.467
Base-Backbone interact. energy: -1.077
local terms energy: -155.507987
where:
bonds (distance) C4'-P energy: -38.221
bonds (distance) P-C4' energy: -37.274
flat angles C4'-P-C4' energy: -29.516
flat angles P-C4'-P energy: -26.654
tors. eta vs tors. theta energy: -23.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -240.117544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.117544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.117544 (E_RNA)
where:
Base-Base interactions energy: -107.044
where: short stacking energy: -53.920
Base-Backbone interact. energy: -0.391
local terms energy: -132.681986
where:
bonds (distance) C4'-P energy: -40.228
bonds (distance) P-C4' energy: -38.755
flat angles C4'-P-C4' energy: -29.127
flat angles P-C4'-P energy: -23.632
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: 8, replica: 9
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -204.334312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.334312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.334312 (E_RNA)
where:
Base-Base interactions energy: -72.452
where: short stacking energy: -69.425
Base-Backbone interact. energy: 2.203
local terms energy: -134.085211
where:
bonds (distance) C4'-P energy: -38.326
bonds (distance) P-C4' energy: -45.241
flat angles C4'-P-C4' energy: -27.009
flat angles P-C4'-P energy: -25.597
tors. eta vs tors. theta energy: 2.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -231.575205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.575205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.575205 (E_RNA)
where:
Base-Base interactions energy: -104.185
where: short stacking energy: -70.911
Base-Backbone interact. energy: -0.616
local terms energy: -126.774363
where:
bonds (distance) C4'-P energy: -31.262
bonds (distance) P-C4' energy: -32.975
flat angles C4'-P-C4' energy: -36.194
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -12.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -163.394360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.394360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.394360 (E_RNA)
where:
Base-Base interactions energy: -60.671
where: short stacking energy: -50.806
Base-Backbone interact. energy: 0.099
local terms energy: -102.821906
where:
bonds (distance) C4'-P energy: -30.478
bonds (distance) P-C4' energy: -31.537
flat angles C4'-P-C4' energy: -22.924
flat angles P-C4'-P energy: -16.805
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: 1, replica: 5
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -664.479592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.479592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.479592 (E_RNA)
where:
Base-Base interactions energy: -455.843
where: short stacking energy: -194.670
Base-Backbone interact. energy: 0.274
local terms energy: -208.910601
where:
bonds (distance) C4'-P energy: -30.710
bonds (distance) P-C4' energy: -44.042
flat angles C4'-P-C4' energy: -44.464
flat angles P-C4'-P energy: -32.973
tors. eta vs tors. theta energy: -56.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -608.891411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.891411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.891411 (E_RNA)
where:
Base-Base interactions energy: -401.593
where: short stacking energy: -192.649
Base-Backbone interact. energy: -0.516
local terms energy: -206.782872
where:
bonds (distance) C4'-P energy: -40.979
bonds (distance) P-C4' energy: -37.296
flat angles C4'-P-C4' energy: -46.010
flat angles P-C4'-P energy: -25.578
tors. eta vs tors. theta energy: -56.920
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: 3, replica: 4
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -542.074664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.074664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.074664 (E_RNA)
where:
Base-Base interactions energy: -341.826
where: short stacking energy: -170.751
Base-Backbone interact. energy: -0.523
local terms energy: -199.725691
where:
bonds (distance) C4'-P energy: -36.989
bonds (distance) P-C4' energy: -38.897
flat angles C4'-P-C4' energy: -44.928
flat angles P-C4'-P energy: -28.467
tors. eta vs tors. theta energy: -50.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -560.781056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.781056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.781056 (E_RNA)
where:
Base-Base interactions energy: -369.357
where: short stacking energy: -162.243
Base-Backbone interact. energy: 0.605
local terms energy: -192.029732
where:
bonds (distance) C4'-P energy: -33.692
bonds (distance) P-C4' energy: -43.542
flat angles C4'-P-C4' energy: -35.882
flat angles P-C4'-P energy: -28.574
tors. eta vs tors. theta energy: -50.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -441.209080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.209080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.209080 (E_RNA)
where:
Base-Base interactions energy: -282.103
where: short stacking energy: -118.780
Base-Backbone interact. energy: -0.844
local terms energy: -158.261519
where:
bonds (distance) C4'-P energy: -34.207
bonds (distance) P-C4' energy: -34.248
flat angles C4'-P-C4' energy: -40.106
flat angles P-C4'-P energy: -22.399
tors. eta vs tors. theta energy: -27.303
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: 6
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -420.904093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.904093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.904093 (E_RNA)
where:
Base-Base interactions energy: -256.472
where: short stacking energy: -130.241
Base-Backbone interact. energy: -0.452
local terms energy: -163.980239
where:
bonds (distance) C4'-P energy: -36.522
bonds (distance) P-C4' energy: -34.578
flat angles C4'-P-C4' energy: -40.014
flat angles P-C4'-P energy: -20.658
tors. eta vs tors. theta energy: -32.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -294.895735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.895735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.895735 (E_RNA)
where:
Base-Base interactions energy: -153.664
where: short stacking energy: -83.056
Base-Backbone interact. energy: 0.949
local terms energy: -142.180636
where:
bonds (distance) C4'-P energy: -34.262
bonds (distance) P-C4' energy: -34.600
flat angles C4'-P-C4' energy: -38.931
flat angles P-C4'-P energy: -20.587
tors. eta vs tors. theta energy: -13.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -256.885685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.885685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.885685 (E_RNA)
where:
Base-Base interactions energy: -124.109
where: short stacking energy: -70.440
Base-Backbone interact. energy: -0.367
local terms energy: -132.409693
where:
bonds (distance) C4'-P energy: -34.292
bonds (distance) P-C4' energy: -37.376
flat angles C4'-P-C4' energy: -34.085
flat angles P-C4'-P energy: -20.682
tors. eta vs tors. theta energy: -5.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -179.614153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.614153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.614153 (E_RNA)
where:
Base-Base interactions energy: -59.537
where: short stacking energy: -55.838
Base-Backbone interact. energy: 0.351
local terms energy: -120.428859
where:
bonds (distance) C4'-P energy: -29.829
bonds (distance) P-C4' energy: -36.581
flat angles C4'-P-C4' energy: -27.900
flat angles P-C4'-P energy: -23.822
tors. eta vs tors. theta energy: -2.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -171.537495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.537495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.537495 (E_RNA)
where:
Base-Base interactions energy: -48.432
where: short stacking energy: -47.925
Base-Backbone interact. energy: -0.750
local terms energy: -122.355881
where:
bonds (distance) C4'-P energy: -36.162
bonds (distance) P-C4' energy: -36.005
flat angles C4'-P-C4' energy: -34.772
flat angles P-C4'-P energy: -18.974
tors. eta vs tors. theta energy: 3.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -665.660484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.660484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.660484 (E_RNA)
where:
Base-Base interactions energy: -451.263
where: short stacking energy: -193.764
Base-Backbone interact. energy: -0.914
local terms energy: -213.483417
where:
bonds (distance) C4'-P energy: -39.807
bonds (distance) P-C4' energy: -40.502
flat angles C4'-P-C4' energy: -40.379
flat angles P-C4'-P energy: -30.063
tors. eta vs tors. theta energy: -62.732
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: 2, replica: 7
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -613.981121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.981121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.981121 (E_RNA)
where:
Base-Base interactions energy: -404.408
where: short stacking energy: -192.391
Base-Backbone interact. energy: -0.594
local terms energy: -208.979471
where:
bonds (distance) C4'-P energy: -45.268
bonds (distance) P-C4' energy: -33.039
flat angles C4'-P-C4' energy: -40.585
flat angles P-C4'-P energy: -28.582
tors. eta vs tors. theta energy: -61.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -575.721486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.721486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.721486 (E_RNA)
where:
Base-Base interactions energy: -381.800
where: short stacking energy: -178.369
Base-Backbone interact. energy: -0.993
local terms energy: -192.928705
where:
bonds (distance) C4'-P energy: -38.017
bonds (distance) P-C4' energy: -42.375
flat angles C4'-P-C4' energy: -43.180
flat angles P-C4'-P energy: -26.366
tors. eta vs tors. theta energy: -42.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -511.467252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.467252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.467252 (E_RNA)
where:
Base-Base interactions energy: -342.057
where: short stacking energy: -160.663
Base-Backbone interact. energy: -1.042
local terms energy: -168.368336
where:
bonds (distance) C4'-P energy: -39.808
bonds (distance) P-C4' energy: -32.129
flat angles C4'-P-C4' energy: -30.906
flat angles P-C4'-P energy: -24.283
tors. eta vs tors. theta energy: -41.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -453.037296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.037296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.037296 (E_RNA)
where:
Base-Base interactions energy: -290.965
where: short stacking energy: -118.990
Base-Backbone interact. energy: -1.589
local terms energy: -160.482679
where:
bonds (distance) C4'-P energy: -39.828
bonds (distance) P-C4' energy: -34.423
flat angles C4'-P-C4' energy: -36.159
flat angles P-C4'-P energy: -23.172
tors. eta vs tors. theta energy: -26.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -430.716991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.716991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.716991 (E_RNA)
where:
Base-Base interactions energy: -271.783
where: short stacking energy: -113.081
Base-Backbone interact. energy: 0.592
local terms energy: -159.526670
where:
bonds (distance) C4'-P energy: -37.707
bonds (distance) P-C4' energy: -41.350
flat angles C4'-P-C4' energy: -21.473
flat angles P-C4'-P energy: -28.180
tors. eta vs tors. theta energy: -30.817
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: 3
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -301.260840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.260840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.260840 (E_RNA)
where:
Base-Base interactions energy: -155.281
where: short stacking energy: -74.793
Base-Backbone interact. energy: 0.844
local terms energy: -146.824599
where:
bonds (distance) C4'-P energy: -41.665
bonds (distance) P-C4' energy: -38.921
flat angles C4'-P-C4' energy: -33.144
flat angles P-C4'-P energy: -26.674
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: 8, replica: 10
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -230.373797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.373797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.373797 (E_RNA)
where:
Base-Base interactions energy: -107.461
where: short stacking energy: -72.477
Base-Backbone interact. energy: -0.472
local terms energy: -122.440662
where:
bonds (distance) C4'-P energy: -36.244
bonds (distance) P-C4' energy: -32.864
flat angles C4'-P-C4' energy: -36.659
flat angles P-C4'-P energy: -17.753
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: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -191.732848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.732848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.732848 (E_RNA)
where:
Base-Base interactions energy: -69.004
where: short stacking energy: -44.510
Base-Backbone interact. energy: -0.824
local terms energy: -121.904460
where:
bonds (distance) C4'-P energy: -33.554
bonds (distance) P-C4' energy: -37.654
flat angles C4'-P-C4' energy: -36.201
flat angles P-C4'-P energy: -18.438
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: 10, replica: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -193.163120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.163120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.163120 (E_RNA)
where:
Base-Base interactions energy: -85.344
where: short stacking energy: -61.249
Base-Backbone interact. energy: -0.171
local terms energy: -107.648514
where:
bonds (distance) C4'-P energy: -33.839
bonds (distance) P-C4' energy: -35.972
flat angles C4'-P-C4' energy: -27.875
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: 5.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -667.960357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.960357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.960357 (E_RNA)
where:
Base-Base interactions energy: -459.561
where: short stacking energy: -178.254
Base-Backbone interact. energy: -2.839
local terms energy: -205.560497
where:
bonds (distance) C4'-P energy: -43.311
bonds (distance) P-C4' energy: -38.777
flat angles C4'-P-C4' energy: -40.885
flat angles P-C4'-P energy: -35.089
tors. eta vs tors. theta energy: -47.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -616.896461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.896461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.896461 (E_RNA)
where:
Base-Base interactions energy: -407.163
where: short stacking energy: -198.430
Base-Backbone interact. energy: 2.605
local terms energy: -212.339019
where:
bonds (distance) C4'-P energy: -33.623
bonds (distance) P-C4' energy: -40.567
flat angles C4'-P-C4' energy: -44.907
flat angles P-C4'-P energy: -31.280
tors. eta vs tors. theta energy: -61.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -567.565726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.565726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.565726 (E_RNA)
where:
Base-Base interactions energy: -378.342
where: short stacking energy: -165.435
Base-Backbone interact. energy: 0.369
local terms energy: -189.592214
where:
bonds (distance) C4'-P energy: -40.714
bonds (distance) P-C4' energy: -39.836
flat angles C4'-P-C4' energy: -33.771
flat angles P-C4'-P energy: -29.394
tors. eta vs tors. theta energy: -45.876
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: 49
Temperature: 1.050000
Total energy: -509.541518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.541518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.541518 (E_RNA)
where:
Base-Base interactions energy: -319.166
where: short stacking energy: -152.210
Base-Backbone interact. energy: 1.902
local terms energy: -192.277619
where:
bonds (distance) C4'-P energy: -33.589
bonds (distance) P-C4' energy: -37.217
flat angles C4'-P-C4' energy: -45.886
flat angles P-C4'-P energy: -31.183
tors. eta vs tors. theta energy: -44.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -449.423547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.423547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.423547 (E_RNA)
where:
Base-Base interactions energy: -281.822
where: short stacking energy: -113.419
Base-Backbone interact. energy: -0.815
local terms energy: -166.786505
where:
bonds (distance) C4'-P energy: -29.411
bonds (distance) P-C4' energy: -42.577
flat angles C4'-P-C4' energy: -43.287
flat angles P-C4'-P energy: -21.022
tors. eta vs tors. theta energy: -30.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -405.902428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.902428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.902428 (E_RNA)
where:
Base-Base interactions energy: -250.306
where: short stacking energy: -122.726
Base-Backbone interact. energy: -0.482
local terms energy: -155.114084
where:
bonds (distance) C4'-P energy: -41.089
bonds (distance) P-C4' energy: -29.343
flat angles C4'-P-C4' energy: -32.380
flat angles P-C4'-P energy: -24.087
tors. eta vs tors. theta energy: -28.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -290.763648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.763648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.763648 (E_RNA)
where:
Base-Base interactions energy: -169.559
where: short stacking energy: -91.816
Base-Backbone interact. energy: -1.420
local terms energy: -119.784626
where:
bonds (distance) C4'-P energy: -29.271
bonds (distance) P-C4' energy: -24.492
flat angles C4'-P-C4' energy: -29.587
flat angles P-C4'-P energy: -22.359
tors. eta vs tors. theta energy: -14.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -190.989786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.989786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.989786 (E_RNA)
where:
Base-Base interactions energy: -77.161
where: short stacking energy: -70.799
Base-Backbone interact. energy: -2.549
local terms energy: -111.279836
where:
bonds (distance) C4'-P energy: -26.051
bonds (distance) P-C4' energy: -41.105
flat angles C4'-P-C4' energy: -27.826
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -0.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -197.482489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.482489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.482489 (E_RNA)
where:
Base-Base interactions energy: -79.509
where: short stacking energy: -51.729
Base-Backbone interact. energy: -0.087
local terms energy: -117.887075
where:
bonds (distance) C4'-P energy: -22.767
bonds (distance) P-C4' energy: -33.444
flat angles C4'-P-C4' energy: -34.457
flat angles P-C4'-P energy: -24.565
tors. eta vs tors. theta energy: -2.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -191.517820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.517820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.517820 (E_RNA)
where:
Base-Base interactions energy: -80.463
where: short stacking energy: -38.172
Base-Backbone interact. energy: -0.712
local terms energy: -110.342600
where:
bonds (distance) C4'-P energy: -31.000
bonds (distance) P-C4' energy: -35.979
flat angles C4'-P-C4' energy: -36.552
flat angles P-C4'-P energy: -18.873
tors. eta vs tors. theta energy: 12.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -657.560892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.560892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.560892 (E_RNA)
where:
Base-Base interactions energy: -454.306
where: short stacking energy: -180.086
Base-Backbone interact. energy: 0.536
local terms energy: -203.791745
where:
bonds (distance) C4'-P energy: -36.180
bonds (distance) P-C4' energy: -37.288
flat angles C4'-P-C4' energy: -40.416
flat angles P-C4'-P energy: -31.387
tors. eta vs tors. theta energy: -58.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -619.218532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.218532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.218532 (E_RNA)
where:
Base-Base interactions energy: -409.525
where: short stacking energy: -187.775
Base-Backbone interact. energy: -0.834
local terms energy: -208.859556
where:
bonds (distance) C4'-P energy: -37.707
bonds (distance) P-C4' energy: -37.560
flat angles C4'-P-C4' energy: -44.117
flat angles P-C4'-P energy: -28.404
tors. eta vs tors. theta energy: -61.071
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: 1
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -569.289821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.289821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.289821 (E_RNA)
where:
Base-Base interactions energy: -384.552
where: short stacking energy: -169.904
Base-Backbone interact. energy: 3.153
local terms energy: -187.890693
where:
bonds (distance) C4'-P energy: -35.768
bonds (distance) P-C4' energy: -43.928
flat angles C4'-P-C4' energy: -42.738
flat angles P-C4'-P energy: -28.228
tors. eta vs tors. theta energy: -37.228
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: 4, replica: 4
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -501.707450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.707450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.707450 (E_RNA)
where:
Base-Base interactions energy: -313.713
where: short stacking energy: -139.578
Base-Backbone interact. energy: -0.014
local terms energy: -187.980420
where:
bonds (distance) C4'-P energy: -39.271
bonds (distance) P-C4' energy: -43.110
flat angles C4'-P-C4' energy: -39.092
flat angles P-C4'-P energy: -26.193
tors. eta vs tors. theta energy: -40.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -425.483899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.483899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.483899 (E_RNA)
where:
Base-Base interactions energy: -263.404
where: short stacking energy: -119.655
Base-Backbone interact. energy: -1.250
local terms energy: -160.830234
where:
bonds (distance) C4'-P energy: -37.819
bonds (distance) P-C4' energy: -37.027
flat angles C4'-P-C4' energy: -36.135
flat angles P-C4'-P energy: -15.390
tors. eta vs tors. theta energy: -34.459
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: 50
Temperature: 1.150000
Total energy: -370.804213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.804213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.804213 (E_RNA)
where:
Base-Base interactions energy: -211.775
where: short stacking energy: -89.562
Base-Backbone interact. energy: -0.829
local terms energy: -158.199739
where:
bonds (distance) C4'-P energy: -33.079
bonds (distance) P-C4' energy: -47.534
flat angles C4'-P-C4' energy: -34.971
flat angles P-C4'-P energy: -21.707
tors. eta vs tors. theta energy: -20.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -288.177739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.177739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.177739 (E_RNA)
where:
Base-Base interactions energy: -141.947
where: short stacking energy: -78.380
Base-Backbone interact. energy: 0.014
local terms energy: -146.244575
where:
bonds (distance) C4'-P energy: -36.844
bonds (distance) P-C4' energy: -40.154
flat angles C4'-P-C4' energy: -35.966
flat angles P-C4'-P energy: -23.179
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: 8, replica: 8
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -185.338200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.338200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.338200 (E_RNA)
where:
Base-Base interactions energy: -69.827
where: short stacking energy: -51.272
Base-Backbone interact. energy: -0.783
local terms energy: -114.728341
where:
bonds (distance) C4'-P energy: -31.644
bonds (distance) P-C4' energy: -27.942
flat angles C4'-P-C4' energy: -38.899
flat angles P-C4'-P energy: -20.085
tors. eta vs tors. theta energy: 3.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -199.227607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.227607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.227607 (E_RNA)
where:
Base-Base interactions energy: -72.878
where: short stacking energy: -52.107
Base-Backbone interact. energy: 1.584
local terms energy: -127.933621
where:
bonds (distance) C4'-P energy: -35.819
bonds (distance) P-C4' energy: -35.068
flat angles C4'-P-C4' energy: -26.081
flat angles P-C4'-P energy: -23.466
tors. eta vs tors. theta energy: -7.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -194.362587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.362587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.362587 (E_RNA)
where:
Base-Base interactions energy: -74.831
where: short stacking energy: -53.840
Base-Backbone interact. energy: 1.750
local terms energy: -121.281207
where:
bonds (distance) C4'-P energy: -36.371
bonds (distance) P-C4' energy: -29.559
flat angles C4'-P-C4' energy: -27.941
flat angles P-C4'-P energy: -23.323
tors. eta vs tors. theta energy: -4.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -677.105428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.105428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.105428 (E_RNA)
where:
Base-Base interactions energy: -461.014
where: short stacking energy: -196.721
Base-Backbone interact. energy: -2.504
local terms energy: -213.586820
where:
bonds (distance) C4'-P energy: -38.161
bonds (distance) P-C4' energy: -40.449
flat angles C4'-P-C4' energy: -49.643
flat angles P-C4'-P energy: -29.914
tors. eta vs tors. theta energy: -55.420
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: 7
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -618.251426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.251426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.251426 (E_RNA)
where:
Base-Base interactions energy: -409.616
where: short stacking energy: -188.318
Base-Backbone interact. energy: -0.861
local terms energy: -207.774547
where:
bonds (distance) C4'-P energy: -35.357
bonds (distance) P-C4' energy: -35.405
flat angles C4'-P-C4' energy: -45.348
flat angles P-C4'-P energy: -30.078
tors. eta vs tors. theta energy: -61.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -564.962095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.962095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.962095 (E_RNA)
where:
Base-Base interactions energy: -373.375
where: short stacking energy: -156.853
Base-Backbone interact. energy: 0.166
local terms energy: -191.753702
where:
bonds (distance) C4'-P energy: -43.871
bonds (distance) P-C4' energy: -39.869
flat angles C4'-P-C4' energy: -41.398
flat angles P-C4'-P energy: -30.827
tors. eta vs tors. theta energy: -35.787
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: 4
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -477.866676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.866676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.866676 (E_RNA)
where:
Base-Base interactions energy: -296.373
where: short stacking energy: -138.499
Base-Backbone interact. energy: -1.080
local terms energy: -180.413624
where:
bonds (distance) C4'-P energy: -38.829
bonds (distance) P-C4' energy: -41.962
flat angles C4'-P-C4' energy: -43.359
flat angles P-C4'-P energy: -21.401
tors. eta vs tors. theta energy: -34.863
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: 6
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -409.894442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.894442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.894442 (E_RNA)
where:
Base-Base interactions energy: -250.549
where: short stacking energy: -102.887
Base-Backbone interact. energy: -0.826
local terms energy: -158.518819
where:
bonds (distance) C4'-P energy: -33.826
bonds (distance) P-C4' energy: -38.870
flat angles C4'-P-C4' energy: -34.052
flat angles P-C4'-P energy: -28.926
tors. eta vs tors. theta energy: -22.845
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: 2
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -403.798986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.798986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.798986 (E_RNA)
where:
Base-Base interactions energy: -250.774
where: short stacking energy: -90.301
Base-Backbone interact. energy: 0.857
local terms energy: -153.882021
where:
bonds (distance) C4'-P energy: -40.194
bonds (distance) P-C4' energy: -36.917
flat angles C4'-P-C4' energy: -36.092
flat angles P-C4'-P energy: -22.425
tors. eta vs tors. theta energy: -18.254
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: 3
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -301.708869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.708869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.708869 (E_RNA)
where:
Base-Base interactions energy: -170.215
where: short stacking energy: -91.515
Base-Backbone interact. energy: -0.786
local terms energy: -130.707780
where:
bonds (distance) C4'-P energy: -28.978
bonds (distance) P-C4' energy: -26.088
flat angles C4'-P-C4' energy: -39.569
flat angles P-C4'-P energy: -25.326
tors. eta vs tors. theta energy: -10.746
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: 8, replica: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -199.626039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.626039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.626039 (E_RNA)
where:
Base-Base interactions energy: -64.032
where: short stacking energy: -48.602
Base-Backbone interact. energy: -2.076
local terms energy: -133.518609
where:
bonds (distance) C4'-P energy: -37.500
bonds (distance) P-C4' energy: -40.959
flat angles C4'-P-C4' energy: -34.177
flat angles P-C4'-P energy: -21.772
tors. eta vs tors. theta energy: 0.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -165.381869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.381869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.381869 (E_RNA)
where:
Base-Base interactions energy: -48.860
where: short stacking energy: -40.151
Base-Backbone interact. energy: 1.059
local terms energy: -117.581292
where:
bonds (distance) C4'-P energy: -38.046
bonds (distance) P-C4' energy: -27.422
flat angles C4'-P-C4' energy: -26.642
flat angles P-C4'-P energy: -20.599
tors. eta vs tors. theta energy: -4.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -170.254735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.254735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.254735 (E_RNA)
where:
Base-Base interactions energy: -51.953
where: short stacking energy: -35.673
Base-Backbone interact. energy: 0.252
local terms energy: -118.553349
where:
bonds (distance) C4'-P energy: -35.272
bonds (distance) P-C4' energy: -35.880
flat angles C4'-P-C4' energy: -29.303
flat angles P-C4'-P energy: -25.380
tors. eta vs tors. theta energy: 7.282
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: 5
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -664.435263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.435263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.435263 (E_RNA)
where:
Base-Base interactions energy: -450.706
where: short stacking energy: -196.541
Base-Backbone interact. energy: -0.707
local terms energy: -213.022452
where:
bonds (distance) C4'-P energy: -34.993
bonds (distance) P-C4' energy: -41.140
flat angles C4'-P-C4' energy: -43.169
flat angles P-C4'-P energy: -31.014
tors. eta vs tors. theta energy: -62.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -608.441901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.441901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.441901 (E_RNA)
where:
Base-Base interactions energy: -398.231
where: short stacking energy: -184.671
Base-Backbone interact. energy: 1.510
local terms energy: -211.720924
where:
bonds (distance) C4'-P energy: -44.199
bonds (distance) P-C4' energy: -40.862
flat angles C4'-P-C4' energy: -43.605
flat angles P-C4'-P energy: -31.890
tors. eta vs tors. theta energy: -51.165
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: 52
Temperature: 1.000000
Total energy: -578.218565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.218565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.218565 (E_RNA)
where:
Base-Base interactions energy: -395.299
where: short stacking energy: -175.857
Base-Backbone interact. energy: -1.720
local terms energy: -181.199684
where:
bonds (distance) C4'-P energy: -36.825
bonds (distance) P-C4' energy: -37.134
flat angles C4'-P-C4' energy: -39.314
flat angles P-C4'-P energy: -25.189
tors. eta vs tors. theta energy: -42.737
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: 4
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -511.950206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.950206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.950206 (E_RNA)
where:
Base-Base interactions energy: -318.806
where: short stacking energy: -158.516
Base-Backbone interact. energy: 0.542
local terms energy: -193.685376
where:
bonds (distance) C4'-P energy: -35.654
bonds (distance) P-C4' energy: -34.639
flat angles C4'-P-C4' energy: -40.183
flat angles P-C4'-P energy: -32.944
tors. eta vs tors. theta energy: -50.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -421.052927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.052927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.052927 (E_RNA)
where:
Base-Base interactions energy: -255.872
where: short stacking energy: -119.018
Base-Backbone interact. energy: 0.077
local terms energy: -165.257258
where:
bonds (distance) C4'-P energy: -35.425
bonds (distance) P-C4' energy: -39.662
flat angles C4'-P-C4' energy: -34.413
flat angles P-C4'-P energy: -23.889
tors. eta vs tors. theta energy: -31.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -379.958370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.958370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.958370 (E_RNA)
where:
Base-Base interactions energy: -242.494
where: short stacking energy: -95.725
Base-Backbone interact. energy: 1.135
local terms energy: -138.599422
where:
bonds (distance) C4'-P energy: -31.528
bonds (distance) P-C4' energy: -36.569
flat angles C4'-P-C4' energy: -30.436
flat angles P-C4'-P energy: -26.264
tors. eta vs tors. theta energy: -13.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -290.790308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.790308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.790308 (E_RNA)
where:
Base-Base interactions energy: -137.108
where: short stacking energy: -85.033
Base-Backbone interact. energy: 1.499
local terms energy: -155.181393
where:
bonds (distance) C4'-P energy: -35.623
bonds (distance) P-C4' energy: -45.009
flat angles C4'-P-C4' energy: -40.428
flat angles P-C4'-P energy: -26.853
tors. eta vs tors. theta energy: -7.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -198.312910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.312910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.312910 (E_RNA)
where:
Base-Base interactions energy: -74.613
where: short stacking energy: -70.267
Base-Backbone interact. energy: -0.639
local terms energy: -123.060846
where:
bonds (distance) C4'-P energy: -36.220
bonds (distance) P-C4' energy: -26.841
flat angles C4'-P-C4' energy: -29.293
flat angles P-C4'-P energy: -25.358
tors. eta vs tors. theta energy: -5.348
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: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -193.494099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.494099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.494099 (E_RNA)
where:
Base-Base interactions energy: -70.591
where: short stacking energy: -52.566
Base-Backbone interact. energy: -0.544
local terms energy: -122.359398
where:
bonds (distance) C4'-P energy: -36.961
bonds (distance) P-C4' energy: -29.461
flat angles C4'-P-C4' energy: -31.512
flat angles P-C4'-P energy: -16.099
tors. eta vs tors. theta energy: -8.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -175.158199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.158199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.158199 (E_RNA)
where:
Base-Base interactions energy: -56.369
where: short stacking energy: -50.352
Base-Backbone interact. energy: -0.927
local terms energy: -117.862262
where:
bonds (distance) C4'-P energy: -33.404
bonds (distance) P-C4' energy: -38.014
flat angles C4'-P-C4' energy: -27.783
flat angles P-C4'-P energy: -17.783
tors. eta vs tors. theta energy: -0.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -654.029772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.029772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.029772 (E_RNA)
where:
Base-Base interactions energy: -447.236
where: short stacking energy: -180.941
Base-Backbone interact. energy: -0.636
local terms energy: -206.158294
where:
bonds (distance) C4'-P energy: -44.994
bonds (distance) P-C4' energy: -37.582
flat angles C4'-P-C4' energy: -41.646
flat angles P-C4'-P energy: -30.122
tors. eta vs tors. theta energy: -51.815
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: 2, replica: 7
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -620.241721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.241721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.241721 (E_RNA)
where:
Base-Base interactions energy: -410.844
where: short stacking energy: -196.375
Base-Backbone interact. energy: -0.747
local terms energy: -208.651153
where:
bonds (distance) C4'-P energy: -36.883
bonds (distance) P-C4' energy: -38.966
flat angles C4'-P-C4' energy: -45.489
flat angles P-C4'-P energy: -29.160
tors. eta vs tors. theta energy: -58.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -562.450333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.450333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.450333 (E_RNA)
where:
Base-Base interactions energy: -374.222
where: short stacking energy: -153.182
Base-Backbone interact. energy: -0.535
local terms energy: -187.693633
where:
bonds (distance) C4'-P energy: -43.541
bonds (distance) P-C4' energy: -36.813
flat angles C4'-P-C4' energy: -46.246
flat angles P-C4'-P energy: -25.206
tors. eta vs tors. theta energy: -35.887
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: 4
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -509.686368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.686368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.686368 (E_RNA)
where:
Base-Base interactions energy: -313.444
where: short stacking energy: -157.601
Base-Backbone interact. energy: -1.313
local terms energy: -194.929285
where:
bonds (distance) C4'-P energy: -37.842
bonds (distance) P-C4' energy: -39.515
flat angles C4'-P-C4' energy: -40.030
flat angles P-C4'-P energy: -29.434
tors. eta vs tors. theta energy: -48.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -441.450108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.450108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.450108 (E_RNA)
where:
Base-Base interactions energy: -274.515
where: short stacking energy: -134.213
Base-Backbone interact. energy: 0.153
local terms energy: -167.087783
where:
bonds (distance) C4'-P energy: -36.274
bonds (distance) P-C4' energy: -36.443
flat angles C4'-P-C4' energy: -39.922
flat angles P-C4'-P energy: -24.422
tors. eta vs tors. theta energy: -30.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -396.597128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.597128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.597128 (E_RNA)
where:
Base-Base interactions energy: -243.731
where: short stacking energy: -104.636
Base-Backbone interact. energy: 0.321
local terms energy: -153.186465
where:
bonds (distance) C4'-P energy: -41.702
bonds (distance) P-C4' energy: -39.497
flat angles C4'-P-C4' energy: -27.404
flat angles P-C4'-P energy: -21.295
tors. eta vs tors. theta energy: -23.288
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: 3
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -335.227944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.227944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.227944 (E_RNA)
where:
Base-Base interactions energy: -196.750
where: short stacking energy: -117.369
Base-Backbone interact. energy: -0.043
local terms energy: -138.435029
where:
bonds (distance) C4'-P energy: -36.010
bonds (distance) P-C4' energy: -33.320
flat angles C4'-P-C4' energy: -35.912
flat angles P-C4'-P energy: -15.198
tors. eta vs tors. theta energy: -17.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -194.347102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.347102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.347102 (E_RNA)
where:
Base-Base interactions energy: -73.673
where: short stacking energy: -69.394
Base-Backbone interact. energy: 1.103
local terms energy: -121.777172
where:
bonds (distance) C4'-P energy: -33.747
bonds (distance) P-C4' energy: -35.850
flat angles C4'-P-C4' energy: -35.743
flat angles P-C4'-P energy: -14.467
tors. eta vs tors. theta energy: -1.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -189.629279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.629279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.629279 (E_RNA)
where:
Base-Base interactions energy: -77.875
where: short stacking energy: -45.691
Base-Backbone interact. energy: -0.265
local terms energy: -111.489908
where:
bonds (distance) C4'-P energy: -30.061
bonds (distance) P-C4' energy: -27.527
flat angles C4'-P-C4' energy: -39.255
flat angles P-C4'-P energy: -22.428
tors. eta vs tors. theta energy: 7.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -173.229265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.229265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.229265 (E_RNA)
where:
Base-Base interactions energy: -60.200
where: short stacking energy: -41.670
Base-Backbone interact. energy: -1.331
local terms energy: -111.698673
where:
bonds (distance) C4'-P energy: -30.063
bonds (distance) P-C4' energy: -36.231
flat angles C4'-P-C4' energy: -25.049
flat angles P-C4'-P energy: -22.859
tors. eta vs tors. theta energy: 2.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -649.751667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.751667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.751667 (E_RNA)
where:
Base-Base interactions energy: -418.771
where: short stacking energy: -207.600
Base-Backbone interact. energy: -0.021
local terms energy: -230.959753
where:
bonds (distance) C4'-P energy: -42.340
bonds (distance) P-C4' energy: -43.918
flat angles C4'-P-C4' energy: -49.243
flat angles P-C4'-P energy: -33.625
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: 2, replica: 5
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -655.771587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.771587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.771587 (E_RNA)
where:
Base-Base interactions energy: -434.110
where: short stacking energy: -187.141
Base-Backbone interact. energy: -0.660
local terms energy: -221.001520
where:
bonds (distance) C4'-P energy: -45.690
bonds (distance) P-C4' energy: -36.298
flat angles C4'-P-C4' energy: -44.425
flat angles P-C4'-P energy: -35.061
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: 1
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -583.454201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.454201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.454201 (E_RNA)
where:
Base-Base interactions energy: -379.218
where: short stacking energy: -172.539
Base-Backbone interact. energy: 2.220
local terms energy: -206.455678
where:
bonds (distance) C4'-P energy: -40.407
bonds (distance) P-C4' energy: -40.695
flat angles C4'-P-C4' energy: -48.771
flat angles P-C4'-P energy: -28.217
tors. eta vs tors. theta energy: -48.366
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: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -525.874444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.874444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.874444 (E_RNA)
where:
Base-Base interactions energy: -341.524
where: short stacking energy: -155.082
Base-Backbone interact. energy: 0.776
local terms energy: -185.126609
where:
bonds (distance) C4'-P energy: -40.063
bonds (distance) P-C4' energy: -36.988
flat angles C4'-P-C4' energy: -36.019
flat angles P-C4'-P energy: -26.621
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: 5, replica: 6
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -431.933153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.933153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.933153 (E_RNA)
where:
Base-Base interactions energy: -280.285
where: short stacking energy: -127.536
Base-Backbone interact. energy: -0.397
local terms energy: -151.251734
where:
bonds (distance) C4'-P energy: -36.513
bonds (distance) P-C4' energy: -31.496
flat angles C4'-P-C4' energy: -35.474
flat angles P-C4'-P energy: -20.065
tors. eta vs tors. theta energy: -27.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -409.745322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.745322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.745322 (E_RNA)
where:
Base-Base interactions energy: -246.306
where: short stacking energy: -113.877
Base-Backbone interact. energy: -1.593
local terms energy: -161.846190
where:
bonds (distance) C4'-P energy: -41.990
bonds (distance) P-C4' energy: -29.566
flat angles C4'-P-C4' energy: -42.167
flat angles P-C4'-P energy: -24.894
tors. eta vs tors. theta energy: -23.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -325.589485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.589485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.589485 (E_RNA)
where:
Base-Base interactions energy: -181.006
where: short stacking energy: -97.308
Base-Backbone interact. energy: 0.303
local terms energy: -144.886255
where:
bonds (distance) C4'-P energy: -24.243
bonds (distance) P-C4' energy: -38.414
flat angles C4'-P-C4' energy: -39.842
flat angles P-C4'-P energy: -26.051
tors. eta vs tors. theta energy: -16.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -222.175214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.175214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.175214 (E_RNA)
where:
Base-Base interactions energy: -80.846
where: short stacking energy: -65.466
Base-Backbone interact. energy: 1.341
local terms energy: -142.669590
where:
bonds (distance) C4'-P energy: -34.277
bonds (distance) P-C4' energy: -38.412
flat angles C4'-P-C4' energy: -38.990
flat angles P-C4'-P energy: -21.654
tors. eta vs tors. theta energy: -9.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -175.684833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.684833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.684833 (E_RNA)
where:
Base-Base interactions energy: -47.984
where: short stacking energy: -45.462
Base-Backbone interact. energy: -0.501
local terms energy: -127.200153
where:
bonds (distance) C4'-P energy: -41.746
bonds (distance) P-C4' energy: -39.739
flat angles C4'-P-C4' energy: -20.045
flat angles P-C4'-P energy: -23.285
tors. eta vs tors. theta energy: -2.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -170.205733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.205733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.205733 (E_RNA)
where:
Base-Base interactions energy: -70.830
where: short stacking energy: -59.007
Base-Backbone interact. energy: 0.682
local terms energy: -100.058149
where:
bonds (distance) C4'-P energy: -22.456
bonds (distance) P-C4' energy: -35.175
flat angles C4'-P-C4' energy: -23.728
flat angles P-C4'-P energy: -20.734
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: 1, replica: 7
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -632.932205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.932205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.932205 (E_RNA)
where:
Base-Base interactions energy: -413.822
where: short stacking energy: -200.303
Base-Backbone interact. energy: -0.497
local terms energy: -218.613235
where:
bonds (distance) C4'-P energy: -44.016
bonds (distance) P-C4' energy: -38.754
flat angles C4'-P-C4' energy: -43.155
flat angles P-C4'-P energy: -36.701
tors. eta vs tors. theta energy: -55.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -641.982184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.982184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.982184 (E_RNA)
where:
Base-Base interactions energy: -449.818
where: short stacking energy: -178.342
Base-Backbone interact. energy: -0.384
local terms energy: -191.781022
where:
bonds (distance) C4'-P energy: -39.738
bonds (distance) P-C4' energy: -25.874
flat angles C4'-P-C4' energy: -42.131
flat angles P-C4'-P energy: -27.850
tors. eta vs tors. theta energy: -56.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -571.506963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.506963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.506963 (E_RNA)
where:
Base-Base interactions energy: -381.010
where: short stacking energy: -161.472
Base-Backbone interact. energy: -0.435
local terms energy: -190.062732
where:
bonds (distance) C4'-P energy: -41.481
bonds (distance) P-C4' energy: -32.912
flat angles C4'-P-C4' energy: -38.068
flat angles P-C4'-P energy: -32.708
tors. eta vs tors. theta energy: -44.894
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: 4
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -517.359903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.359903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.359903 (E_RNA)
where:
Base-Base interactions energy: -316.379
where: short stacking energy: -159.467
Base-Backbone interact. energy: -0.382
local terms energy: -200.599230
where:
bonds (distance) C4'-P energy: -34.479
bonds (distance) P-C4' energy: -40.931
flat angles C4'-P-C4' energy: -43.108
flat angles P-C4'-P energy: -32.873
tors. eta vs tors. theta energy: -49.208
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: 6
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -413.009996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.009996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.009996 (E_RNA)
where:
Base-Base interactions energy: -248.583
where: short stacking energy: -112.016
Base-Backbone interact. energy: -0.500
local terms energy: -163.927405
where:
bonds (distance) C4'-P energy: -37.056
bonds (distance) P-C4' energy: -37.767
flat angles C4'-P-C4' energy: -35.167
flat angles P-C4'-P energy: -28.453
tors. eta vs tors. theta energy: -25.484
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: 2
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -410.908461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.908461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.908461 (E_RNA)
where:
Base-Base interactions energy: -249.864
where: short stacking energy: -98.542
Base-Backbone interact. energy: -1.620
local terms energy: -159.424723
where:
bonds (distance) C4'-P energy: -38.467
bonds (distance) P-C4' energy: -34.119
flat angles C4'-P-C4' energy: -30.825
flat angles P-C4'-P energy: -30.980
tors. eta vs tors. theta energy: -25.034
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: 3
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -290.030667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.030667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.030667 (E_RNA)
where:
Base-Base interactions energy: -144.111
where: short stacking energy: -77.191
Base-Backbone interact. energy: -0.228
local terms energy: -145.691553
where:
bonds (distance) C4'-P energy: -36.379
bonds (distance) P-C4' energy: -38.758
flat angles C4'-P-C4' energy: -38.539
flat angles P-C4'-P energy: -28.000
tors. eta vs tors. theta energy: -4.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -248.980627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.980627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.980627 (E_RNA)
where:
Base-Base interactions energy: -117.535
where: short stacking energy: -54.218
Base-Backbone interact. energy: -0.414
local terms energy: -131.031282
where:
bonds (distance) C4'-P energy: -31.151
bonds (distance) P-C4' energy: -38.045
flat angles C4'-P-C4' energy: -39.357
flat angles P-C4'-P energy: -20.711
tors. eta vs tors. theta energy: -1.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -185.324277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.324277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.324277 (E_RNA)
where:
Base-Base interactions energy: -79.709
where: short stacking energy: -51.252
Base-Backbone interact. energy: -1.601
local terms energy: -104.013808
where:
bonds (distance) C4'-P energy: -33.601
bonds (distance) P-C4' energy: -30.592
flat angles C4'-P-C4' energy: -34.763
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: 2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -170.882683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.882683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.882683 (E_RNA)
where:
Base-Base interactions energy: -56.637
where: short stacking energy: -50.449
Base-Backbone interact. energy: 2.661
local terms energy: -116.907078
where:
bonds (distance) C4'-P energy: -28.906
bonds (distance) P-C4' energy: -30.570
flat angles C4'-P-C4' energy: -35.696
flat angles P-C4'-P energy: -22.425
tors. eta vs tors. theta energy: 0.690
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: 5
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -654.941456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.941456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.941456 (E_RNA)
where:
Base-Base interactions energy: -453.084
where: short stacking energy: -183.548
Base-Backbone interact. energy: 0.281
local terms energy: -202.138818
where:
bonds (distance) C4'-P energy: -32.126
bonds (distance) P-C4' energy: -38.687
flat angles C4'-P-C4' energy: -41.062
flat angles P-C4'-P energy: -28.922
tors. eta vs tors. theta energy: -61.342
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: 56
Temperature: 0.950000
Total energy: -631.955000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.955000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.955000 (E_RNA)
where:
Base-Base interactions energy: -424.261
where: short stacking energy: -188.473
Base-Backbone interact. energy: -0.460
local terms energy: -207.233724
where:
bonds (distance) C4'-P energy: -33.286
bonds (distance) P-C4' energy: -41.549
flat angles C4'-P-C4' energy: -45.107
flat angles P-C4'-P energy: -32.775
tors. eta vs tors. theta energy: -54.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -558.756196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.756196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.756196 (E_RNA)
where:
Base-Base interactions energy: -343.636
where: short stacking energy: -174.628
Base-Backbone interact. energy: 0.125
local terms energy: -215.244886
where:
bonds (distance) C4'-P energy: -38.108
bonds (distance) P-C4' energy: -41.780
flat angles C4'-P-C4' energy: -45.889
flat angles P-C4'-P energy: -30.756
tors. eta vs tors. theta energy: -58.712
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: 1
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -546.083699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.083699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.083699 (E_RNA)
where:
Base-Base interactions energy: -356.717
where: short stacking energy: -153.311
Base-Backbone interact. energy: 2.752
local terms energy: -192.118995
where:
bonds (distance) C4'-P energy: -38.918
bonds (distance) P-C4' energy: -36.157
flat angles C4'-P-C4' energy: -39.194
flat angles P-C4'-P energy: -31.205
tors. eta vs tors. theta energy: -46.645
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: 56
Temperature: 1.100000
Total energy: -430.167514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.167514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.167514 (E_RNA)
where:
Base-Base interactions energy: -273.570
where: short stacking energy: -105.162
Base-Backbone interact. energy: -1.434
local terms energy: -155.163186
where:
bonds (distance) C4'-P energy: -37.959
bonds (distance) P-C4' energy: -34.071
flat angles C4'-P-C4' energy: -41.159
flat angles P-C4'-P energy: -24.181
tors. eta vs tors. theta energy: -17.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -421.054797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.054797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.054797 (E_RNA)
where:
Base-Base interactions energy: -257.503
where: short stacking energy: -127.115
Base-Backbone interact. energy: -0.377
local terms energy: -163.174554
where:
bonds (distance) C4'-P energy: -39.361
bonds (distance) P-C4' energy: -28.182
flat angles C4'-P-C4' energy: -37.113
flat angles P-C4'-P energy: -27.463
tors. eta vs tors. theta energy: -31.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -277.245213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.245213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.245213 (E_RNA)
where:
Base-Base interactions energy: -148.757
where: short stacking energy: -88.724
Base-Backbone interact. energy: -0.687
local terms energy: -127.800871
where:
bonds (distance) C4'-P energy: -28.940
bonds (distance) P-C4' energy: -36.010
flat angles C4'-P-C4' energy: -32.024
flat angles P-C4'-P energy: -17.597
tors. eta vs tors. theta energy: -13.230
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: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -242.071742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.071742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.071742 (E_RNA)
where:
Base-Base interactions energy: -109.353
where: short stacking energy: -58.153
Base-Backbone interact. energy: -0.720
local terms energy: -131.998715
where:
bonds (distance) C4'-P energy: -32.559
bonds (distance) P-C4' energy: -39.866
flat angles C4'-P-C4' energy: -30.938
flat angles P-C4'-P energy: -23.468
tors. eta vs tors. theta energy: -5.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -197.262042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.262042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.262042 (E_RNA)
where:
Base-Base interactions energy: -89.361
where: short stacking energy: -59.358
Base-Backbone interact. energy: 1.239
local terms energy: -109.140264
where:
bonds (distance) C4'-P energy: -29.864
bonds (distance) P-C4' energy: -29.918
flat angles C4'-P-C4' energy: -23.648
flat angles P-C4'-P energy: -23.568
tors. eta vs tors. theta energy: -2.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -194.177068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.177068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.177068 (E_RNA)
where:
Base-Base interactions energy: -63.725
where: short stacking energy: -48.171
Base-Backbone interact. energy: 2.614
local terms energy: -133.066450
where:
bonds (distance) C4'-P energy: -36.084
bonds (distance) P-C4' energy: -39.798
flat angles C4'-P-C4' energy: -41.000
flat angles P-C4'-P energy: -20.596
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: 1, replica: 5
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -674.227978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.227978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.227978 (E_RNA)
where:
Base-Base interactions energy: -464.056
where: short stacking energy: -196.598
Base-Backbone interact. energy: 0.988
local terms energy: -211.159766
where:
bonds (distance) C4'-P energy: -42.779
bonds (distance) P-C4' energy: -37.862
flat angles C4'-P-C4' energy: -44.637
flat angles P-C4'-P energy: -29.690
tors. eta vs tors. theta energy: -56.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -621.701017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.701017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.701017 (E_RNA)
where:
Base-Base interactions energy: -411.609
where: short stacking energy: -191.060
Base-Backbone interact. energy: -0.044
local terms energy: -210.047478
where:
bonds (distance) C4'-P energy: -30.860
bonds (distance) P-C4' energy: -38.910
flat angles C4'-P-C4' energy: -43.875
flat angles P-C4'-P energy: -33.691
tors. eta vs tors. theta energy: -62.711
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: 4
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -551.291013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.291013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.291013 (E_RNA)
where:
Base-Base interactions energy: -362.718
where: short stacking energy: -168.652
Base-Backbone interact. energy: -0.086
local terms energy: -188.487146
where:
bonds (distance) C4'-P energy: -33.937
bonds (distance) P-C4' energy: -36.178
flat angles C4'-P-C4' energy: -46.156
flat angles P-C4'-P energy: -25.630
tors. eta vs tors. theta energy: -46.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -532.966359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.966359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.966359 (E_RNA)
where:
Base-Base interactions energy: -351.062
where: short stacking energy: -148.146
Base-Backbone interact. energy: -2.802
local terms energy: -179.102087
where:
bonds (distance) C4'-P energy: -32.310
bonds (distance) P-C4' energy: -38.784
flat angles C4'-P-C4' energy: -34.092
flat angles P-C4'-P energy: -28.712
tors. eta vs tors. theta energy: -45.204
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: 2
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -427.578711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.578711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.578711 (E_RNA)
where:
Base-Base interactions energy: -259.032
where: short stacking energy: -108.346
Base-Backbone interact. energy: -3.059
local terms energy: -165.487622
where:
bonds (distance) C4'-P energy: -39.782
bonds (distance) P-C4' energy: -38.412
flat angles C4'-P-C4' energy: -37.813
flat angles P-C4'-P energy: -27.684
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: 6, replica: 6
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -424.015114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.015114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.015114 (E_RNA)
where:
Base-Base interactions energy: -258.938
where: short stacking energy: -125.913
Base-Backbone interact. energy: -0.309
local terms energy: -164.767968
where:
bonds (distance) C4'-P energy: -37.964
bonds (distance) P-C4' energy: -33.889
flat angles C4'-P-C4' energy: -46.194
flat angles P-C4'-P energy: -17.649
tors. eta vs tors. theta energy: -29.073
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: 3
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -310.222511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.222511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.222511 (E_RNA)
where:
Base-Base interactions energy: -168.450
where: short stacking energy: -81.492
Base-Backbone interact. energy: -1.140
local terms energy: -140.632639
where:
bonds (distance) C4'-P energy: -30.811
bonds (distance) P-C4' energy: -36.609
flat angles C4'-P-C4' energy: -31.471
flat angles P-C4'-P energy: -24.249
tors. eta vs tors. theta energy: -17.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -248.340079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.340079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.340079 (E_RNA)
where:
Base-Base interactions energy: -113.521
where: short stacking energy: -69.303
Base-Backbone interact. energy: -1.007
local terms energy: -133.812129
where:
bonds (distance) C4'-P energy: -33.476
bonds (distance) P-C4' energy: -36.530
flat angles C4'-P-C4' energy: -27.238
flat angles P-C4'-P energy: -22.642
tors. eta vs tors. theta energy: -13.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -163.648479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.648479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.648479 (E_RNA)
where:
Base-Base interactions energy: -50.845
where: short stacking energy: -33.113
Base-Backbone interact. energy: -1.154
local terms energy: -111.649493
where:
bonds (distance) C4'-P energy: -32.694
bonds (distance) P-C4' energy: -34.170
flat angles C4'-P-C4' energy: -27.474
flat angles P-C4'-P energy: -27.899
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: 10, replica: 10
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -165.154497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.154497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.154497 (E_RNA)
where:
Base-Base interactions energy: -49.929
where: short stacking energy: -41.610
Base-Backbone interact. energy: 1.149
local terms energy: -116.374647
where:
bonds (distance) C4'-P energy: -31.329
bonds (distance) P-C4' energy: -41.609
flat angles C4'-P-C4' energy: -21.117
flat angles P-C4'-P energy: -17.446
tors. eta vs tors. theta energy: -4.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -659.708886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.708886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.708886 (E_RNA)
where:
Base-Base interactions energy: -442.664
where: short stacking energy: -196.887
Base-Backbone interact. energy: -0.259
local terms energy: -216.786032
where:
bonds (distance) C4'-P energy: -40.357
bonds (distance) P-C4' energy: -44.386
flat angles C4'-P-C4' energy: -43.035
flat angles P-C4'-P energy: -32.537
tors. eta vs tors. theta energy: -56.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -626.633809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.633809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.633809 (E_RNA)
where:
Base-Base interactions energy: -423.167
where: short stacking energy: -185.739
Base-Backbone interact. energy: -0.229
local terms energy: -203.238173
where:
bonds (distance) C4'-P energy: -37.666
bonds (distance) P-C4' energy: -37.701
flat angles C4'-P-C4' energy: -43.376
flat angles P-C4'-P energy: -32.004
tors. eta vs tors. theta energy: -52.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -561.425424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.425424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.425424 (E_RNA)
where:
Base-Base interactions energy: -349.961
where: short stacking energy: -178.768
Base-Backbone interact. energy: -0.204
local terms energy: -211.259772
where:
bonds (distance) C4'-P energy: -37.449
bonds (distance) P-C4' energy: -45.488
flat angles C4'-P-C4' energy: -43.515
flat angles P-C4'-P energy: -29.014
tors. eta vs tors. theta energy: -55.793
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: 1
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -524.404114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.404114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.404114 (E_RNA)
where:
Base-Base interactions energy: -342.929
where: short stacking energy: -139.777
Base-Backbone interact. energy: -2.347
local terms energy: -179.127723
where:
bonds (distance) C4'-P energy: -36.708
bonds (distance) P-C4' energy: -36.318
flat angles C4'-P-C4' energy: -46.401
flat angles P-C4'-P energy: -25.817
tors. eta vs tors. theta energy: -33.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -417.065072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.065072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.065072 (E_RNA)
where:
Base-Base interactions energy: -267.026
where: short stacking energy: -116.694
Base-Backbone interact. energy: -0.133
local terms energy: -149.905955
where:
bonds (distance) C4'-P energy: -36.865
bonds (distance) P-C4' energy: -39.512
flat angles C4'-P-C4' energy: -28.270
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: -30.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -398.428962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.428962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.428962 (E_RNA)
where:
Base-Base interactions energy: -241.630
where: short stacking energy: -106.602
Base-Backbone interact. energy: -1.556
local terms energy: -155.243055
where:
bonds (distance) C4'-P energy: -31.487
bonds (distance) P-C4' energy: -33.879
flat angles C4'-P-C4' energy: -41.882
flat angles P-C4'-P energy: -32.917
tors. eta vs tors. theta energy: -15.078
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: 7, replica: 3
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -355.262864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.262864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.262864 (E_RNA)
where:
Base-Base interactions energy: -209.206
where: short stacking energy: -111.564
Base-Backbone interact. energy: 1.112
local terms energy: -147.169133
where:
bonds (distance) C4'-P energy: -31.328
bonds (distance) P-C4' energy: -38.339
flat angles C4'-P-C4' energy: -36.259
flat angles P-C4'-P energy: -19.716
tors. eta vs tors. theta energy: -21.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -282.238643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.238643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.238643 (E_RNA)
where:
Base-Base interactions energy: -139.501
where: short stacking energy: -101.747
Base-Backbone interact. energy: -0.097
local terms energy: -142.640642
where:
bonds (distance) C4'-P energy: -26.836
bonds (distance) P-C4' energy: -38.102
flat angles C4'-P-C4' energy: -33.413
flat angles P-C4'-P energy: -25.688
tors. eta vs tors. theta energy: -18.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -189.473682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.473682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.473682 (E_RNA)
where:
Base-Base interactions energy: -69.327
where: short stacking energy: -55.748
Base-Backbone interact. energy: -0.484
local terms energy: -119.661835
where:
bonds (distance) C4'-P energy: -30.438
bonds (distance) P-C4' energy: -31.485
flat angles C4'-P-C4' energy: -27.551
flat angles P-C4'-P energy: -25.908
tors. eta vs tors. theta energy: -4.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -170.830773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.830773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.830773 (E_RNA)
where:
Base-Base interactions energy: -57.562
where: short stacking energy: -26.425
Base-Backbone interact. energy: 1.019
local terms energy: -114.287326
where:
bonds (distance) C4'-P energy: -36.506
bonds (distance) P-C4' energy: -41.576
flat angles C4'-P-C4' energy: -26.599
flat angles P-C4'-P energy: -15.313
tors. eta vs tors. theta energy: 5.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -658.595475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.595475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.595475 (E_RNA)
where:
Base-Base interactions energy: -445.085
where: short stacking energy: -189.083
Base-Backbone interact. energy: -0.898
local terms energy: -212.612900
where:
bonds (distance) C4'-P energy: -39.321
bonds (distance) P-C4' energy: -41.779
flat angles C4'-P-C4' energy: -43.908
flat angles P-C4'-P energy: -27.432
tors. eta vs tors. theta energy: -60.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -631.326481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.326481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.326481 (E_RNA)
where:
Base-Base interactions energy: -416.646
where: short stacking energy: -197.512
Base-Backbone interact. energy: -0.635
local terms energy: -214.045204
where:
bonds (distance) C4'-P energy: -41.300
bonds (distance) P-C4' energy: -36.591
flat angles C4'-P-C4' energy: -40.990
flat angles P-C4'-P energy: -33.210
tors. eta vs tors. theta energy: -61.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -553.396499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.396499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.396499 (E_RNA)
where:
Base-Base interactions energy: -353.429
where: short stacking energy: -179.528
Base-Backbone interact. energy: -0.132
local terms energy: -199.835260
where:
bonds (distance) C4'-P energy: -36.111
bonds (distance) P-C4' energy: -42.210
flat angles C4'-P-C4' energy: -39.784
flat angles P-C4'-P energy: -29.618
tors. eta vs tors. theta energy: -52.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -538.977947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.977947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.977947 (E_RNA)
where:
Base-Base interactions energy: -358.622
where: short stacking energy: -155.242
Base-Backbone interact. energy: -0.903
local terms energy: -179.453644
where:
bonds (distance) C4'-P energy: -32.077
bonds (distance) P-C4' energy: -42.283
flat angles C4'-P-C4' energy: -39.466
flat angles P-C4'-P energy: -23.674
tors. eta vs tors. theta energy: -41.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -435.733361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.733361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.733361 (E_RNA)
where:
Base-Base interactions energy: -267.527
where: short stacking energy: -132.212
Base-Backbone interact. energy: -0.410
local terms energy: -167.796716
where:
bonds (distance) C4'-P energy: -36.792
bonds (distance) P-C4' energy: -37.380
flat angles C4'-P-C4' energy: -41.247
flat angles P-C4'-P energy: -19.597
tors. eta vs tors. theta energy: -32.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -388.487474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.487474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.487474 (E_RNA)
where:
Base-Base interactions energy: -229.624
where: short stacking energy: -125.440
Base-Backbone interact. energy: 0.555
local terms energy: -159.418902
where:
bonds (distance) C4'-P energy: -36.948
bonds (distance) P-C4' energy: -38.776
flat angles C4'-P-C4' energy: -32.919
flat angles P-C4'-P energy: -19.735
tors. eta vs tors. theta energy: -31.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -389.499911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.499911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.499911 (E_RNA)
where:
Base-Base interactions energy: -228.906
where: short stacking energy: -87.335
Base-Backbone interact. energy: -0.668
local terms energy: -159.925506
where:
bonds (distance) C4'-P energy: -35.794
bonds (distance) P-C4' energy: -42.913
flat angles C4'-P-C4' energy: -37.719
flat angles P-C4'-P energy: -22.916
tors. eta vs tors. theta energy: -20.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -245.459041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.459041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.459041 (E_RNA)
where:
Base-Base interactions energy: -117.507
where: short stacking energy: -60.403
Base-Backbone interact. energy: -0.916
local terms energy: -127.036518
where:
bonds (distance) C4'-P energy: -29.070
bonds (distance) P-C4' energy: -36.807
flat angles C4'-P-C4' energy: -39.070
flat angles P-C4'-P energy: -23.664
tors. eta vs tors. theta energy: 1.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -184.617545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.617545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.617545 (E_RNA)
where:
Base-Base interactions energy: -66.360
where: short stacking energy: -52.120
Base-Backbone interact. energy: -0.685
local terms energy: -117.573125
where:
bonds (distance) C4'-P energy: -43.361
bonds (distance) P-C4' energy: -37.510
flat angles C4'-P-C4' energy: -17.729
flat angles P-C4'-P energy: -22.110
tors. eta vs tors. theta energy: 3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -166.142710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.142710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.142710 (E_RNA)
where:
Base-Base interactions energy: -54.658
where: short stacking energy: -53.695
Base-Backbone interact. energy: -0.931
local terms energy: -110.553549
where:
bonds (distance) C4'-P energy: -35.877
bonds (distance) P-C4' energy: -23.417
flat angles C4'-P-C4' energy: -30.328
flat angles P-C4'-P energy: -21.886
tors. eta vs tors. theta energy: 0.954
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: 5
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -652.565497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.565497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.565497 (E_RNA)
where:
Base-Base interactions energy: -444.485
where: short stacking energy: -194.332
Base-Backbone interact. energy: -1.014
local terms energy: -207.066315
where:
bonds (distance) C4'-P energy: -35.791
bonds (distance) P-C4' energy: -31.666
flat angles C4'-P-C4' energy: -46.884
flat angles P-C4'-P energy: -31.306
tors. eta vs tors. theta energy: -61.419
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: 7
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -630.731481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.731481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.731481 (E_RNA)
where:
Base-Base interactions energy: -413.643
where: short stacking energy: -189.038
Base-Backbone interact. energy: 0.473
local terms energy: -217.561423
where:
bonds (distance) C4'-P energy: -39.413
bonds (distance) P-C4' energy: -44.576
flat angles C4'-P-C4' energy: -46.806
flat angles P-C4'-P energy: -25.597
tors. eta vs tors. theta energy: -61.170
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: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -548.556180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.556180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.556180 (E_RNA)
where:
Base-Base interactions energy: -349.373
where: short stacking energy: -172.172
Base-Backbone interact. energy: -0.242
local terms energy: -198.941225
where:
bonds (distance) C4'-P energy: -34.321
bonds (distance) P-C4' energy: -38.514
flat angles C4'-P-C4' energy: -40.531
flat angles P-C4'-P energy: -26.989
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: 1
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -556.065532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.065532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.065532 (E_RNA)
where:
Base-Base interactions energy: -368.490
where: short stacking energy: -151.993
Base-Backbone interact. energy: -1.860
local terms energy: -185.715658
where:
bonds (distance) C4'-P energy: -37.250
bonds (distance) P-C4' energy: -41.732
flat angles C4'-P-C4' energy: -43.997
flat angles P-C4'-P energy: -22.652
tors. eta vs tors. theta energy: -40.086
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: 6
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -442.827614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.827614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.827614 (E_RNA)
where:
Base-Base interactions energy: -279.350
where: short stacking energy: -137.850
Base-Backbone interact. energy: -1.132
local terms energy: -162.346014
where:
bonds (distance) C4'-P energy: -33.079
bonds (distance) P-C4' energy: -30.987
flat angles C4'-P-C4' energy: -34.487
flat angles P-C4'-P energy: -29.724
tors. eta vs tors. theta energy: -34.069
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: 6, replica: 3
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -380.170606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.170606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.170606 (E_RNA)
where:
Base-Base interactions energy: -218.945
where: short stacking energy: -108.818
Base-Backbone interact. energy: -0.364
local terms energy: -160.861551
where:
bonds (distance) C4'-P energy: -39.951
bonds (distance) P-C4' energy: -30.629
flat angles C4'-P-C4' energy: -41.564
flat angles P-C4'-P energy: -23.431
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: 2
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -367.898207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.898207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.898207 (E_RNA)
where:
Base-Base interactions energy: -210.456
where: short stacking energy: -99.962
Base-Backbone interact. energy: -0.328
local terms energy: -157.114155
where:
bonds (distance) C4'-P energy: -29.961
bonds (distance) P-C4' energy: -43.097
flat angles C4'-P-C4' energy: -40.791
flat angles P-C4'-P energy: -22.704
tors. eta vs tors. theta energy: -20.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -218.270046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.270046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.270046 (E_RNA)
where:
Base-Base interactions energy: -88.109
where: short stacking energy: -57.023
Base-Backbone interact. energy: -0.630
local terms energy: -129.530501
where:
bonds (distance) C4'-P energy: -32.557
bonds (distance) P-C4' energy: -37.486
flat angles C4'-P-C4' energy: -37.039
flat angles P-C4'-P energy: -16.523
tors. eta vs tors. theta energy: -5.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -173.085885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.085885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.085885 (E_RNA)
where:
Base-Base interactions energy: -45.168
where: short stacking energy: -45.285
Base-Backbone interact. energy: -0.612
local terms energy: -127.305762
where:
bonds (distance) C4'-P energy: -33.077
bonds (distance) P-C4' energy: -41.636
flat angles C4'-P-C4' energy: -31.405
flat angles P-C4'-P energy: -20.991
tors. eta vs tors. theta energy: -0.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -175.319482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.319482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.319482 (E_RNA)
where:
Base-Base interactions energy: -58.771
where: short stacking energy: -39.431
Base-Backbone interact. energy: -2.600
local terms energy: -113.948435
where:
bonds (distance) C4'-P energy: -30.264
bonds (distance) P-C4' energy: -32.868
flat angles C4'-P-C4' energy: -31.687
flat angles P-C4'-P energy: -23.656
tors. eta vs tors. theta energy: 4.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -658.548314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.548314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.548314 (E_RNA)
where:
Base-Base interactions energy: -444.707
where: short stacking energy: -188.969
Base-Backbone interact. energy: -1.082
local terms energy: -212.759452
where:
bonds (distance) C4'-P energy: -33.269
bonds (distance) P-C4' energy: -45.734
flat angles C4'-P-C4' energy: -40.177
flat angles P-C4'-P energy: -31.711
tors. eta vs tors. theta energy: -61.867
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: 2, replica: 7
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -646.000766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.000766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.000766 (E_RNA)
where:
Base-Base interactions energy: -417.066
where: short stacking energy: -201.329
Base-Backbone interact. energy: -0.623
local terms energy: -228.311801
where:
bonds (distance) C4'-P energy: -39.255
bonds (distance) P-C4' energy: -45.244
flat angles C4'-P-C4' energy: -46.808
flat angles P-C4'-P energy: -28.328
tors. eta vs tors. theta energy: -68.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -551.698535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.698535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.698535 (E_RNA)
where:
Base-Base interactions energy: -349.442
where: short stacking energy: -162.610
Base-Backbone interact. energy: -0.676
local terms energy: -201.580988
where:
bonds (distance) C4'-P energy: -37.688
bonds (distance) P-C4' energy: -44.874
flat angles C4'-P-C4' energy: -35.283
flat angles P-C4'-P energy: -31.327
tors. eta vs tors. theta energy: -52.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -535.479393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.479393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.479393 (E_RNA)
where:
Base-Base interactions energy: -354.374
where: short stacking energy: -150.687
Base-Backbone interact. energy: 0.406
local terms energy: -181.511402
where:
bonds (distance) C4'-P energy: -33.686
bonds (distance) P-C4' energy: -38.036
flat angles C4'-P-C4' energy: -42.078
flat angles P-C4'-P energy: -29.582
tors. eta vs tors. theta energy: -38.129
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: 6
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -453.665235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.665235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.665235 (E_RNA)
where:
Base-Base interactions energy: -283.956
where: short stacking energy: -129.220
Base-Backbone interact. energy: -1.734
local terms energy: -167.975439
where:
bonds (distance) C4'-P energy: -45.023
bonds (distance) P-C4' energy: -34.713
flat angles C4'-P-C4' energy: -36.245
flat angles P-C4'-P energy: -18.009
tors. eta vs tors. theta energy: -33.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -389.977607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.977607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.977607 (E_RNA)
where:
Base-Base interactions energy: -243.726
where: short stacking energy: -103.556
Base-Backbone interact. energy: -0.979
local terms energy: -145.272610
where:
bonds (distance) C4'-P energy: -34.694
bonds (distance) P-C4' energy: -31.566
flat angles C4'-P-C4' energy: -40.357
flat angles P-C4'-P energy: -22.671
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: 7, replica: 3
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -351.314696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.314696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.314696 (E_RNA)
where:
Base-Base interactions energy: -204.337
where: short stacking energy: -91.273
Base-Backbone interact. energy: 0.007
local terms energy: -146.984723
where:
bonds (distance) C4'-P energy: -36.639
bonds (distance) P-C4' energy: -41.459
flat angles C4'-P-C4' energy: -34.968
flat angles P-C4'-P energy: -18.756
tors. eta vs tors. theta energy: -15.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -186.041093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.041093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.041093 (E_RNA)
where:
Base-Base interactions energy: -79.860
where: short stacking energy: -62.187
Base-Backbone interact. energy: 0.223
local terms energy: -106.404578
where:
bonds (distance) C4'-P energy: -37.275
bonds (distance) P-C4' energy: -25.615
flat angles C4'-P-C4' energy: -29.208
flat angles P-C4'-P energy: -14.774
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: 9, replica: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -190.793368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.793368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.793368 (E_RNA)
where:
Base-Base interactions energy: -62.735
where: short stacking energy: -63.139
Base-Backbone interact. energy: -0.381
local terms energy: -127.676762
where:
bonds (distance) C4'-P energy: -34.858
bonds (distance) P-C4' energy: -37.275
flat angles C4'-P-C4' energy: -27.579
flat angles P-C4'-P energy: -17.799
tors. eta vs tors. theta energy: -10.166
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: 61
Temperature: 1.350000
Total energy: -178.155283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.155283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.155283 (E_RNA)
where:
Base-Base interactions energy: -61.840
where: short stacking energy: -51.760
Base-Backbone interact. energy: 0.121
local terms energy: -116.436816
where:
bonds (distance) C4'-P energy: -20.397
bonds (distance) P-C4' energy: -42.053
flat angles C4'-P-C4' energy: -28.532
flat angles P-C4'-P energy: -17.726
tors. eta vs tors. theta energy: -7.729
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: 7
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -655.575701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.575701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.575701 (E_RNA)
where:
Base-Base interactions energy: -438.645
where: short stacking energy: -199.971
Base-Backbone interact. energy: -0.045
local terms energy: -216.885442
where:
bonds (distance) C4'-P energy: -42.365
bonds (distance) P-C4' energy: -37.065
flat angles C4'-P-C4' energy: -45.464
flat angles P-C4'-P energy: -31.123
tors. eta vs tors. theta energy: -60.869
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: 2, replica: 5
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -641.685307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.685307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.685307 (E_RNA)
where:
Base-Base interactions energy: -427.837
where: short stacking energy: -194.794
Base-Backbone interact. energy: -1.288
local terms energy: -212.560528
where:
bonds (distance) C4'-P energy: -38.829
bonds (distance) P-C4' energy: -42.092
flat angles C4'-P-C4' energy: -42.281
flat angles P-C4'-P energy: -26.520
tors. eta vs tors. theta energy: -62.838
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: 1
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -577.547689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.547689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.547689 (E_RNA)
where:
Base-Base interactions energy: -396.845
where: short stacking energy: -149.623
Base-Backbone interact. energy: 0.542
local terms energy: -181.244742
where:
bonds (distance) C4'-P energy: -35.971
bonds (distance) P-C4' energy: -38.532
flat angles C4'-P-C4' energy: -42.077
flat angles P-C4'-P energy: -26.504
tors. eta vs tors. theta energy: -38.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -533.563262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.563262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.563262 (E_RNA)
where:
Base-Base interactions energy: -329.111
where: short stacking energy: -153.438
Base-Backbone interact. energy: -0.320
local terms energy: -204.132448
where:
bonds (distance) C4'-P energy: -34.175
bonds (distance) P-C4' energy: -42.335
flat angles C4'-P-C4' energy: -42.325
flat angles P-C4'-P energy: -35.140
tors. eta vs tors. theta energy: -50.156
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: 6
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -435.204660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.204660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.204660 (E_RNA)
where:
Base-Base interactions energy: -267.345
where: short stacking energy: -110.954
Base-Backbone interact. energy: -1.361
local terms energy: -166.498126
where:
bonds (distance) C4'-P energy: -33.407
bonds (distance) P-C4' energy: -46.546
flat angles C4'-P-C4' energy: -35.732
flat angles P-C4'-P energy: -25.171
tors. eta vs tors. theta energy: -25.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -353.652350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.652350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.652350 (E_RNA)
where:
Base-Base interactions energy: -198.117
where: short stacking energy: -94.886
Base-Backbone interact. energy: -0.808
local terms energy: -154.726576
where:
bonds (distance) C4'-P energy: -38.522
bonds (distance) P-C4' energy: -34.203
flat angles C4'-P-C4' energy: -41.888
flat angles P-C4'-P energy: -26.127
tors. eta vs tors. theta energy: -13.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -397.627313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.627313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.627313 (E_RNA)
where:
Base-Base interactions energy: -226.609
where: short stacking energy: -110.588
Base-Backbone interact. energy: -1.352
local terms energy: -169.666694
where:
bonds (distance) C4'-P energy: -38.681
bonds (distance) P-C4' energy: -37.992
flat angles C4'-P-C4' energy: -42.471
flat angles P-C4'-P energy: -24.652
tors. eta vs tors. theta energy: -25.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -208.421095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.421095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.421095 (E_RNA)
where:
Base-Base interactions energy: -69.555
where: short stacking energy: -53.333
Base-Backbone interact. energy: 1.464
local terms energy: -140.329929
where:
bonds (distance) C4'-P energy: -39.935
bonds (distance) P-C4' energy: -39.514
flat angles C4'-P-C4' energy: -36.501
flat angles P-C4'-P energy: -19.651
tors. eta vs tors. theta energy: -4.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -174.108782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.108782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.108782 (E_RNA)
where:
Base-Base interactions energy: -43.678
where: short stacking energy: -32.089
Base-Backbone interact. energy: -0.365
local terms energy: -130.066027
where:
bonds (distance) C4'-P energy: -31.469
bonds (distance) P-C4' energy: -32.879
flat angles C4'-P-C4' energy: -40.107
flat angles P-C4'-P energy: -27.221
tors. eta vs tors. theta energy: 1.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -176.355175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.355175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.355175 (E_RNA)
where:
Base-Base interactions energy: -62.690
where: short stacking energy: -52.518
Base-Backbone interact. energy: 1.960
local terms energy: -115.625109
where:
bonds (distance) C4'-P energy: -30.513
bonds (distance) P-C4' energy: -34.979
flat angles C4'-P-C4' energy: -25.267
flat angles P-C4'-P energy: -19.880
tors. eta vs tors. theta energy: -4.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -656.550571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.550571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.550571 (E_RNA)
where:
Base-Base interactions energy: -437.897
where: short stacking energy: -197.608
Base-Backbone interact. energy: -1.265
local terms energy: -217.388871
where:
bonds (distance) C4'-P energy: -37.088
bonds (distance) P-C4' energy: -43.117
flat angles C4'-P-C4' energy: -42.052
flat angles P-C4'-P energy: -30.899
tors. eta vs tors. theta energy: -64.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -637.255340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.255340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.255340 (E_RNA)
where:
Base-Base interactions energy: -430.755
where: short stacking energy: -182.729
Base-Backbone interact. energy: -0.957
local terms energy: -205.542737
where:
bonds (distance) C4'-P energy: -31.523
bonds (distance) P-C4' energy: -42.069
flat angles C4'-P-C4' energy: -43.632
flat angles P-C4'-P energy: -30.486
tors. eta vs tors. theta energy: -57.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -569.496580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.496580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.496580 (E_RNA)
where:
Base-Base interactions energy: -388.821
where: short stacking energy: -162.716
Base-Backbone interact. energy: -1.235
local terms energy: -179.439929
where:
bonds (distance) C4'-P energy: -40.507
bonds (distance) P-C4' energy: -29.170
flat angles C4'-P-C4' energy: -35.455
flat angles P-C4'-P energy: -27.229
tors. eta vs tors. theta energy: -47.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -544.261871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.261871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.261871 (E_RNA)
where:
Base-Base interactions energy: -349.066
where: short stacking energy: -181.909
Base-Backbone interact. energy: -0.070
local terms energy: -195.126634
where:
bonds (distance) C4'-P energy: -41.772
bonds (distance) P-C4' energy: -41.858
flat angles C4'-P-C4' energy: -44.073
flat angles P-C4'-P energy: -18.592
tors. eta vs tors. theta energy: -48.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -481.170862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.170862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.170862 (E_RNA)
where:
Base-Base interactions energy: -306.536
where: short stacking energy: -130.892
Base-Backbone interact. energy: -1.968
local terms energy: -172.667446
where:
bonds (distance) C4'-P energy: -33.374
bonds (distance) P-C4' energy: -33.264
flat angles C4'-P-C4' energy: -44.104
flat angles P-C4'-P energy: -24.135
tors. eta vs tors. theta energy: -37.790
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: 3
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -439.937121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.937121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.937121 (E_RNA)
where:
Base-Base interactions energy: -276.576
where: short stacking energy: -136.755
Base-Backbone interact. energy: -0.259
local terms energy: -163.101939
where:
bonds (distance) C4'-P energy: -35.384
bonds (distance) P-C4' energy: -29.409
flat angles C4'-P-C4' energy: -41.163
flat angles P-C4'-P energy: -23.083
tors. eta vs tors. theta energy: -34.063
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: 2
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -396.970525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.970525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.970525 (E_RNA)
where:
Base-Base interactions energy: -240.582
where: short stacking energy: -94.340
Base-Backbone interact. energy: -1.658
local terms energy: -154.729966
where:
bonds (distance) C4'-P energy: -35.593
bonds (distance) P-C4' energy: -43.610
flat angles C4'-P-C4' energy: -35.717
flat angles P-C4'-P energy: -24.304
tors. eta vs tors. theta energy: -15.505
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: 10
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -179.671409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.671409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.671409 (E_RNA)
where:
Base-Base interactions energy: -53.987
where: short stacking energy: -49.244
Base-Backbone interact. energy: -0.600
local terms energy: -125.085178
where:
bonds (distance) C4'-P energy: -30.420
bonds (distance) P-C4' energy: -40.599
flat angles C4'-P-C4' energy: -31.383
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -7.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -204.344110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.344110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.344110 (E_RNA)
where:
Base-Base interactions energy: -97.227
where: short stacking energy: -49.575
Base-Backbone interact. energy: -1.654
local terms energy: -105.463395
where:
bonds (distance) C4'-P energy: -25.233
bonds (distance) P-C4' energy: -42.850
flat angles C4'-P-C4' energy: -29.471
flat angles P-C4'-P energy: -16.346
tors. eta vs tors. theta energy: 8.436
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: 63
Temperature: 1.350000
Total energy: -199.002731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.002731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.002731 (E_RNA)
where:
Base-Base interactions energy: -85.188
where: short stacking energy: -52.470
Base-Backbone interact. energy: -0.388
local terms energy: -113.427170
where:
bonds (distance) C4'-P energy: -30.901
bonds (distance) P-C4' energy: -32.841
flat angles C4'-P-C4' energy: -34.601
flat angles P-C4'-P energy: -16.156
tors. eta vs tors. theta energy: 1.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -627.151785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.151785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.151785 (E_RNA)
where:
Base-Base interactions energy: -419.296
where: short stacking energy: -183.102
Base-Backbone interact. energy: -0.841
local terms energy: -207.014454
where:
bonds (distance) C4'-P energy: -40.763
bonds (distance) P-C4' energy: -36.918
flat angles C4'-P-C4' energy: -43.821
flat angles P-C4'-P energy: -31.691
tors. eta vs tors. theta energy: -53.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -629.315357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.315357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.315357 (E_RNA)
where:
Base-Base interactions energy: -416.265
where: short stacking energy: -188.482
Base-Backbone interact. energy: -1.387
local terms energy: -211.662741
where:
bonds (distance) C4'-P energy: -43.435
bonds (distance) P-C4' energy: -40.109
flat angles C4'-P-C4' energy: -42.036
flat angles P-C4'-P energy: -29.295
tors. eta vs tors. theta energy: -56.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -564.158720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.158720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.158720 (E_RNA)
where:
Base-Base interactions energy: -352.388
where: short stacking energy: -171.528
Base-Backbone interact. energy: -1.674
local terms energy: -210.095981
where:
bonds (distance) C4'-P energy: -43.850
bonds (distance) P-C4' energy: -42.101
flat angles C4'-P-C4' energy: -41.942
flat angles P-C4'-P energy: -28.278
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: 4, replica: 1
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -565.602175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.602175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.602175 (E_RNA)
where:
Base-Base interactions energy: -388.970
where: short stacking energy: -153.627
Base-Backbone interact. energy: 7.452
local terms energy: -184.083444
where:
bonds (distance) C4'-P energy: -36.216
bonds (distance) P-C4' energy: -41.573
flat angles C4'-P-C4' energy: -39.776
flat angles P-C4'-P energy: -26.470
tors. eta vs tors. theta energy: -40.048
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: 3
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -418.855711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.855711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.855711 (E_RNA)
where:
Base-Base interactions energy: -258.943
where: short stacking energy: -132.830
Base-Backbone interact. energy: 1.025
local terms energy: -160.937108
where:
bonds (distance) C4'-P energy: -35.440
bonds (distance) P-C4' energy: -33.675
flat angles C4'-P-C4' energy: -39.086
flat angles P-C4'-P energy: -21.447
tors. eta vs tors. theta energy: -31.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -447.057310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.057310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.057310 (E_RNA)
where:
Base-Base interactions energy: -285.174
where: short stacking energy: -112.366
Base-Backbone interact. energy: -1.177
local terms energy: -160.706301
where:
bonds (distance) C4'-P energy: -38.427
bonds (distance) P-C4' energy: -36.873
flat angles C4'-P-C4' energy: -35.864
flat angles P-C4'-P energy: -21.823
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: 7, replica: 2
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -391.279320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.279320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.279320 (E_RNA)
where:
Base-Base interactions energy: -250.053
where: short stacking energy: -115.004
Base-Backbone interact. energy: 3.760
local terms energy: -144.986508
where:
bonds (distance) C4'-P energy: -32.486
bonds (distance) P-C4' energy: -36.417
flat angles C4'-P-C4' energy: -31.407
flat angles P-C4'-P energy: -26.797
tors. eta vs tors. theta energy: -17.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -191.430095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.430095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.430095 (E_RNA)
where:
Base-Base interactions energy: -70.255
where: short stacking energy: -65.481
Base-Backbone interact. energy: -0.828
local terms energy: -120.347339
where:
bonds (distance) C4'-P energy: -29.756
bonds (distance) P-C4' energy: -42.503
flat angles C4'-P-C4' energy: -31.744
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -4.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -192.063652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.063652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.063652 (E_RNA)
where:
Base-Base interactions energy: -86.130
where: short stacking energy: -39.172
Base-Backbone interact. energy: -1.082
local terms energy: -104.851466
where:
bonds (distance) C4'-P energy: -30.321
bonds (distance) P-C4' energy: -38.740
flat angles C4'-P-C4' energy: -34.374
flat angles P-C4'-P energy: -5.168
tors. eta vs tors. theta energy: 3.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -171.924970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.924970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.924970 (E_RNA)
where:
Base-Base interactions energy: -59.649
where: short stacking energy: -35.524
Base-Backbone interact. energy: -0.260
local terms energy: -112.015273
where:
bonds (distance) C4'-P energy: -32.389
bonds (distance) P-C4' energy: -42.730
flat angles C4'-P-C4' energy: -27.909
flat angles P-C4'-P energy: -22.137
tors. eta vs tors. theta energy: 13.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -632.336720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.336720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.336720 (E_RNA)
where:
Base-Base interactions energy: -417.878
where: short stacking energy: -185.442
Base-Backbone interact. energy: 0.441
local terms energy: -214.898956
where:
bonds (distance) C4'-P energy: -36.446
bonds (distance) P-C4' energy: -42.411
flat angles C4'-P-C4' energy: -47.178
flat angles P-C4'-P energy: -32.566
tors. eta vs tors. theta energy: -56.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -647.306209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.306209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.306209 (E_RNA)
where:
Base-Base interactions energy: -437.897
where: short stacking energy: -208.364
Base-Backbone interact. energy: -3.160
local terms energy: -206.249603
where:
bonds (distance) C4'-P energy: -34.683
bonds (distance) P-C4' energy: -37.445
flat angles C4'-P-C4' energy: -40.934
flat angles P-C4'-P energy: -26.205
tors. eta vs tors. theta energy: -66.982
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: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -552.572050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.572050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.572050 (E_RNA)
where:
Base-Base interactions energy: -359.129
where: short stacking energy: -168.267
Base-Backbone interact. energy: 1.351
local terms energy: -194.794114
where:
bonds (distance) C4'-P energy: -38.662
bonds (distance) P-C4' energy: -44.650
flat angles C4'-P-C4' energy: -44.583
flat angles P-C4'-P energy: -25.780
tors. eta vs tors. theta energy: -41.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -546.531986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.531986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.531986 (E_RNA)
where:
Base-Base interactions energy: -372.673
where: short stacking energy: -161.671
Base-Backbone interact. energy: -0.548
local terms energy: -173.311427
where:
bonds (distance) C4'-P energy: -29.486
bonds (distance) P-C4' energy: -44.112
flat angles C4'-P-C4' energy: -44.132
flat angles P-C4'-P energy: -15.810
tors. eta vs tors. theta energy: -39.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -410.694083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.694083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.694083 (E_RNA)
where:
Base-Base interactions energy: -253.473
where: short stacking energy: -129.238
Base-Backbone interact. energy: -0.599
local terms energy: -156.621845
where:
bonds (distance) C4'-P energy: -27.232
bonds (distance) P-C4' energy: -29.777
flat angles C4'-P-C4' energy: -39.835
flat angles P-C4'-P energy: -24.514
tors. eta vs tors. theta energy: -35.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -431.096752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.096752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.096752 (E_RNA)
where:
Base-Base interactions energy: -261.158
where: short stacking energy: -118.746
Base-Backbone interact. energy: -1.457
local terms energy: -168.482416
where:
bonds (distance) C4'-P energy: -32.662
bonds (distance) P-C4' energy: -38.990
flat angles C4'-P-C4' energy: -34.057
flat angles P-C4'-P energy: -32.442
tors. eta vs tors. theta energy: -30.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -327.767132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.767132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.767132 (E_RNA)
where:
Base-Base interactions energy: -185.229
where: short stacking energy: -88.243
Base-Backbone interact. energy: -1.242
local terms energy: -141.295609
where:
bonds (distance) C4'-P energy: -32.531
bonds (distance) P-C4' energy: -39.116
flat angles C4'-P-C4' energy: -31.994
flat angles P-C4'-P energy: -21.292
tors. eta vs tors. theta energy: -16.363
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: 8, replica: 10
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -188.648481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.648481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.648481 (E_RNA)
where:
Base-Base interactions energy: -83.308
where: short stacking energy: -76.477
Base-Backbone interact. energy: -1.974
local terms energy: -103.365851
where:
bonds (distance) C4'-P energy: -30.699
bonds (distance) P-C4' energy: -35.470
flat angles C4'-P-C4' energy: -26.585
flat angles P-C4'-P energy: -14.899
tors. eta vs tors. theta energy: 4.286
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: 9, replica: 8
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -179.921250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.921250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.921250 (E_RNA)
where:
Base-Base interactions energy: -56.313
where: short stacking energy: -54.535
Base-Backbone interact. energy: -0.374
local terms energy: -123.234785
where:
bonds (distance) C4'-P energy: -35.365
bonds (distance) P-C4' energy: -23.898
flat angles C4'-P-C4' energy: -31.312
flat angles P-C4'-P energy: -23.169
tors. eta vs tors. theta energy: -9.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -181.055908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.055908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.055908 (E_RNA)
where:
Base-Base interactions energy: -70.125
where: short stacking energy: -47.145
Base-Backbone interact. energy: 0.571
local terms energy: -111.501680
where:
bonds (distance) C4'-P energy: -24.950
bonds (distance) P-C4' energy: -38.721
flat angles C4'-P-C4' energy: -32.275
flat angles P-C4'-P energy: -21.132
tors. eta vs tors. theta energy: 5.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -635.662161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.662161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.662161 (E_RNA)
where:
Base-Base interactions energy: -429.508
where: short stacking energy: -200.658
Base-Backbone interact. energy: -0.956
local terms energy: -205.198260
where:
bonds (distance) C4'-P energy: -34.728
bonds (distance) P-C4' energy: -36.781
flat angles C4'-P-C4' energy: -44.997
flat angles P-C4'-P energy: -27.267
tors. eta vs tors. theta energy: -61.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -622.898489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.898489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.898489 (E_RNA)
where:
Base-Base interactions energy: -420.746
where: short stacking energy: -183.675
Base-Backbone interact. energy: -1.144
local terms energy: -201.008843
where:
bonds (distance) C4'-P energy: -39.422
bonds (distance) P-C4' energy: -47.435
flat angles C4'-P-C4' energy: -33.633
flat angles P-C4'-P energy: -24.044
tors. eta vs tors. theta energy: -56.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -562.431138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.431138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.431138 (E_RNA)
where:
Base-Base interactions energy: -359.859
where: short stacking energy: -165.707
Base-Backbone interact. energy: -1.131
local terms energy: -201.441361
where:
bonds (distance) C4'-P energy: -31.356
bonds (distance) P-C4' energy: -41.909
flat angles C4'-P-C4' energy: -38.149
flat angles P-C4'-P energy: -31.678
tors. eta vs tors. theta energy: -58.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -535.693036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.693036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.693036 (E_RNA)
where:
Base-Base interactions energy: -353.650
where: short stacking energy: -148.019
Base-Backbone interact. energy: -0.578
local terms energy: -181.465235
where:
bonds (distance) C4'-P energy: -32.885
bonds (distance) P-C4' energy: -37.512
flat angles C4'-P-C4' energy: -43.152
flat angles P-C4'-P energy: -28.657
tors. eta vs tors. theta energy: -39.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -408.830971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.830971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.830971 (E_RNA)
where:
Base-Base interactions energy: -247.275
where: short stacking energy: -138.418
Base-Backbone interact. energy: -0.169
local terms energy: -161.386091
where:
bonds (distance) C4'-P energy: -25.902
bonds (distance) P-C4' energy: -38.859
flat angles C4'-P-C4' energy: -32.963
flat angles P-C4'-P energy: -24.938
tors. eta vs tors. theta energy: -38.724
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: 6
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -404.173498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.173498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.173498 (E_RNA)
where:
Base-Base interactions energy: -252.956
where: short stacking energy: -108.554
Base-Backbone interact. energy: -1.325
local terms energy: -149.892531
where:
bonds (distance) C4'-P energy: -41.036
bonds (distance) P-C4' energy: -35.814
flat angles C4'-P-C4' energy: -26.430
flat angles P-C4'-P energy: -24.845
tors. eta vs tors. theta energy: -21.769
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: 7, replica: 2
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -379.386662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.386662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.386662 (E_RNA)
where:
Base-Base interactions energy: -222.432
where: short stacking energy: -110.230
Base-Backbone interact. energy: 0.729
local terms energy: -157.683501
where:
bonds (distance) C4'-P energy: -36.895
bonds (distance) P-C4' energy: -42.022
flat angles C4'-P-C4' energy: -34.196
flat angles P-C4'-P energy: -16.774
tors. eta vs tors. theta energy: -27.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -212.359395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.359395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.359395 (E_RNA)
where:
Base-Base interactions energy: -79.097
where: short stacking energy: -68.359
Base-Backbone interact. energy: 0.266
local terms energy: -133.528480
where:
bonds (distance) C4'-P energy: -35.692
bonds (distance) P-C4' energy: -37.775
flat angles C4'-P-C4' energy: -34.395
flat angles P-C4'-P energy: -26.065
tors. eta vs tors. theta energy: 0.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -244.490227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.490227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.490227 (E_RNA)
where:
Base-Base interactions energy: -123.176
where: short stacking energy: -75.678
Base-Backbone interact. energy: -0.590
local terms energy: -120.724527
where:
bonds (distance) C4'-P energy: -27.623
bonds (distance) P-C4' energy: -33.971
flat angles C4'-P-C4' energy: -27.021
flat angles P-C4'-P energy: -18.920
tors. eta vs tors. theta energy: -13.190
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: 8
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -168.742455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.742455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.742455 (E_RNA)
where:
Base-Base interactions energy: -55.894
where: short stacking energy: -51.326
Base-Backbone interact. energy: -0.184
local terms energy: -112.664256
where:
bonds (distance) C4'-P energy: -30.140
bonds (distance) P-C4' energy: -38.270
flat angles C4'-P-C4' energy: -24.202
flat angles P-C4'-P energy: -18.068
tors. eta vs tors. theta energy: -1.985
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: 7
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -648.664071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.664071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.664071 (E_RNA)
where:
Base-Base interactions energy: -430.023
where: short stacking energy: -203.504
Base-Backbone interact. energy: -0.342
local terms energy: -218.299459
where:
bonds (distance) C4'-P energy: -42.287
bonds (distance) P-C4' energy: -37.496
flat angles C4'-P-C4' energy: -41.656
flat angles P-C4'-P energy: -31.467
tors. eta vs tors. theta energy: -65.393
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: 2, replica: 5
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -629.223923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.223923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.223923 (E_RNA)
where:
Base-Base interactions energy: -428.278
where: short stacking energy: -168.881
Base-Backbone interact. energy: 1.907
local terms energy: -202.852845
where:
bonds (distance) C4'-P energy: -41.140
bonds (distance) P-C4' energy: -39.095
flat angles C4'-P-C4' energy: -38.882
flat angles P-C4'-P energy: -38.243
tors. eta vs tors. theta energy: -45.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -547.100117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.100117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.100117 (E_RNA)
where:
Base-Base interactions energy: -342.880
where: short stacking energy: -169.806
Base-Backbone interact. energy: 1.201
local terms energy: -205.421126
where:
bonds (distance) C4'-P energy: -39.683
bonds (distance) P-C4' energy: -38.300
flat angles C4'-P-C4' energy: -49.830
flat angles P-C4'-P energy: -23.909
tors. eta vs tors. theta energy: -53.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -553.689493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.689493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.689493 (E_RNA)
where:
Base-Base interactions energy: -370.501
where: short stacking energy: -157.920
Base-Backbone interact. energy: -1.110
local terms energy: -182.078817
where:
bonds (distance) C4'-P energy: -34.402
bonds (distance) P-C4' energy: -43.428
flat angles C4'-P-C4' energy: -40.806
flat angles P-C4'-P energy: -25.151
tors. eta vs tors. theta energy: -38.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -432.645960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.645960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.645960 (E_RNA)
where:
Base-Base interactions energy: -255.147
where: short stacking energy: -113.661
Base-Backbone interact. energy: -0.577
local terms energy: -176.922575
where:
bonds (distance) C4'-P energy: -36.161
bonds (distance) P-C4' energy: -43.492
flat angles C4'-P-C4' energy: -43.511
flat angles P-C4'-P energy: -25.089
tors. eta vs tors. theta energy: -28.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -401.562053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.562053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.562053 (E_RNA)
where:
Base-Base interactions energy: -235.804
where: short stacking energy: -113.640
Base-Backbone interact. energy: -1.506
local terms energy: -164.251951
where:
bonds (distance) C4'-P energy: -26.189
bonds (distance) P-C4' energy: -40.313
flat angles C4'-P-C4' energy: -44.045
flat angles P-C4'-P energy: -26.578
tors. eta vs tors. theta energy: -27.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -363.878207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.878207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.878207 (E_RNA)
where:
Base-Base interactions energy: -208.894
where: short stacking energy: -107.514
Base-Backbone interact. energy: -0.225
local terms energy: -154.758536
where:
bonds (distance) C4'-P energy: -28.752
bonds (distance) P-C4' energy: -35.147
flat angles C4'-P-C4' energy: -31.885
flat angles P-C4'-P energy: -26.205
tors. eta vs tors. theta energy: -32.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -314.787452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.787452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.787452 (E_RNA)
where:
Base-Base interactions energy: -176.699
where: short stacking energy: -87.279
Base-Backbone interact. energy: -1.084
local terms energy: -137.003627
where:
bonds (distance) C4'-P energy: -34.991
bonds (distance) P-C4' energy: -33.371
flat angles C4'-P-C4' energy: -31.525
flat angles P-C4'-P energy: -19.751
tors. eta vs tors. theta energy: -17.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -172.662219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.662219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.662219 (E_RNA)
where:
Base-Base interactions energy: -67.168
where: short stacking energy: -37.192
Base-Backbone interact. energy: -0.183
local terms energy: -105.311653
where:
bonds (distance) C4'-P energy: -35.519
bonds (distance) P-C4' energy: -26.986
flat angles C4'-P-C4' energy: -25.290
flat angles P-C4'-P energy: -18.496
tors. eta vs tors. theta energy: 0.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -164.543766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.543766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.543766 (E_RNA)
where:
Base-Base interactions energy: -60.706
where: short stacking energy: -60.563
Base-Backbone interact. energy: -0.647
local terms energy: -103.190820
where:
bonds (distance) C4'-P energy: -29.293
bonds (distance) P-C4' energy: -39.410
flat angles C4'-P-C4' energy: -18.663
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -3.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -646.865597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.865597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.865597 (E_RNA)
where:
Base-Base interactions energy: -436.819
where: short stacking energy: -173.470
Base-Backbone interact. energy: -1.420
local terms energy: -208.626341
where:
bonds (distance) C4'-P energy: -39.464
bonds (distance) P-C4' energy: -38.352
flat angles C4'-P-C4' energy: -42.627
flat angles P-C4'-P energy: -34.899
tors. eta vs tors. theta energy: -53.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -648.236967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.236967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.236967 (E_RNA)
where:
Base-Base interactions energy: -433.558
where: short stacking energy: -198.983
Base-Backbone interact. energy: -2.145
local terms energy: -212.534318
where:
bonds (distance) C4'-P energy: -38.176
bonds (distance) P-C4' energy: -39.446
flat angles C4'-P-C4' energy: -41.495
flat angles P-C4'-P energy: -31.832
tors. eta vs tors. theta energy: -61.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -572.301721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.301721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.301721 (E_RNA)
where:
Base-Base interactions energy: -391.664
where: short stacking energy: -175.835
Base-Backbone interact. energy: -0.596
local terms energy: -180.041329
where:
bonds (distance) C4'-P energy: -34.711
bonds (distance) P-C4' energy: -30.591
flat angles C4'-P-C4' energy: -34.471
flat angles P-C4'-P energy: -29.088
tors. eta vs tors. theta energy: -51.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -538.247316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.247316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.247316 (E_RNA)
where:
Base-Base interactions energy: -354.522
where: short stacking energy: -164.338
Base-Backbone interact. energy: -1.204
local terms energy: -182.521071
where:
bonds (distance) C4'-P energy: -37.500
bonds (distance) P-C4' energy: -36.403
flat angles C4'-P-C4' energy: -38.272
flat angles P-C4'-P energy: -25.400
tors. eta vs tors. theta energy: -44.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -438.507503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.507503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.507503 (E_RNA)
where:
Base-Base interactions energy: -269.678
where: short stacking energy: -115.723
Base-Backbone interact. energy: 2.129
local terms energy: -170.957928
where:
bonds (distance) C4'-P energy: -33.611
bonds (distance) P-C4' energy: -43.668
flat angles C4'-P-C4' energy: -41.758
flat angles P-C4'-P energy: -23.871
tors. eta vs tors. theta energy: -28.049
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: 3
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -409.072164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.072164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.072164 (E_RNA)
where:
Base-Base interactions energy: -239.159
where: short stacking energy: -114.617
Base-Backbone interact. energy: -1.542
local terms energy: -168.371309
where:
bonds (distance) C4'-P energy: -29.322
bonds (distance) P-C4' energy: -40.007
flat angles C4'-P-C4' energy: -41.043
flat angles P-C4'-P energy: -31.547
tors. eta vs tors. theta energy: -26.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -353.424873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.424873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.424873 (E_RNA)
where:
Base-Base interactions energy: -213.948
where: short stacking energy: -99.559
Base-Backbone interact. energy: -0.460
local terms energy: -139.017181
where:
bonds (distance) C4'-P energy: -27.659
bonds (distance) P-C4' energy: -32.042
flat angles C4'-P-C4' energy: -33.642
flat angles P-C4'-P energy: -29.294
tors. eta vs tors. theta energy: -16.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -296.530273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.530273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.530273 (E_RNA)
where:
Base-Base interactions energy: -159.079
where: short stacking energy: -83.511
Base-Backbone interact. energy: -1.112
local terms energy: -136.339529
where:
bonds (distance) C4'-P energy: -38.194
bonds (distance) P-C4' energy: -31.923
flat angles C4'-P-C4' energy: -30.649
flat angles P-C4'-P energy: -26.492
tors. eta vs tors. theta energy: -9.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -180.538019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.538019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.538019 (E_RNA)
where:
Base-Base interactions energy: -63.084
where: short stacking energy: -49.229
Base-Backbone interact. energy: -1.147
local terms energy: -116.307416
where:
bonds (distance) C4'-P energy: -35.303
bonds (distance) P-C4' energy: -43.352
flat angles C4'-P-C4' energy: -24.999
flat angles P-C4'-P energy: -21.847
tors. eta vs tors. theta energy: 9.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -203.291866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.291866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.291866 (E_RNA)
where:
Base-Base interactions energy: -83.023
where: short stacking energy: -56.130
Base-Backbone interact. energy: -0.677
local terms energy: -119.592291
where:
bonds (distance) C4'-P energy: -31.932
bonds (distance) P-C4' energy: -39.060
flat angles C4'-P-C4' energy: -34.182
flat angles P-C4'-P energy: -17.419
tors. eta vs tors. theta energy: 3.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -646.058658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.058658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.058658 (E_RNA)
where:
Base-Base interactions energy: -420.051
where: short stacking energy: -179.084
Base-Backbone interact. energy: -3.430
local terms energy: -222.577786
where:
bonds (distance) C4'-P energy: -44.381
bonds (distance) P-C4' energy: -44.507
flat angles C4'-P-C4' energy: -45.448
flat angles P-C4'-P energy: -30.039
tors. eta vs tors. theta energy: -58.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -648.540351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.540351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.540351 (E_RNA)
where:
Base-Base interactions energy: -442.215
where: short stacking energy: -199.172
Base-Backbone interact. energy: -0.964
local terms energy: -205.361330
where:
bonds (distance) C4'-P energy: -36.586
bonds (distance) P-C4' energy: -39.143
flat angles C4'-P-C4' energy: -41.543
flat angles P-C4'-P energy: -32.635
tors. eta vs tors. theta energy: -55.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -551.232816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.232816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.232816 (E_RNA)
where:
Base-Base interactions energy: -373.098
where: short stacking energy: -149.929
Base-Backbone interact. energy: -1.572
local terms energy: -176.562684
where:
bonds (distance) C4'-P energy: -39.577
bonds (distance) P-C4' energy: -35.385
flat angles C4'-P-C4' energy: -44.309
flat angles P-C4'-P energy: -23.456
tors. eta vs tors. theta energy: -33.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -554.867761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.867761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.867761 (E_RNA)
where:
Base-Base interactions energy: -354.011
where: short stacking energy: -168.207
Base-Backbone interact. energy: 0.468
local terms energy: -201.325347
where:
bonds (distance) C4'-P energy: -36.603
bonds (distance) P-C4' energy: -40.124
flat angles C4'-P-C4' energy: -39.220
flat angles P-C4'-P energy: -34.787
tors. eta vs tors. theta energy: -50.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -436.136051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.136051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.136051 (E_RNA)
where:
Base-Base interactions energy: -256.324
where: short stacking energy: -128.474
Base-Backbone interact. energy: -0.973
local terms energy: -178.839803
where:
bonds (distance) C4'-P energy: -27.456
bonds (distance) P-C4' energy: -45.588
flat angles C4'-P-C4' energy: -40.075
flat angles P-C4'-P energy: -29.129
tors. eta vs tors. theta energy: -36.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -388.191593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.191593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.191593 (E_RNA)
where:
Base-Base interactions energy: -224.508
where: short stacking energy: -104.361
Base-Backbone interact. energy: -0.833
local terms energy: -162.851292
where:
bonds (distance) C4'-P energy: -38.264
bonds (distance) P-C4' energy: -35.096
flat angles C4'-P-C4' energy: -34.044
flat angles P-C4'-P energy: -27.159
tors. eta vs tors. theta energy: -28.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -391.282578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.282578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.282578 (E_RNA)
where:
Base-Base interactions energy: -238.028
where: short stacking energy: -93.053
Base-Backbone interact. energy: -0.260
local terms energy: -152.993618
where:
bonds (distance) C4'-P energy: -31.461
bonds (distance) P-C4' energy: -32.794
flat angles C4'-P-C4' energy: -38.625
flat angles P-C4'-P energy: -30.942
tors. eta vs tors. theta energy: -19.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -263.303243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.303243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.303243 (E_RNA)
where:
Base-Base interactions energy: -140.137
where: short stacking energy: -86.280
Base-Backbone interact. energy: 6.775
local terms energy: -129.941067
where:
bonds (distance) C4'-P energy: -29.858
bonds (distance) P-C4' energy: -31.642
flat angles C4'-P-C4' energy: -37.417
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -14.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -179.826094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.826094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.826094 (E_RNA)
where:
Base-Base interactions energy: -58.698
where: short stacking energy: -47.358
Base-Backbone interact. energy: -0.342
local terms energy: -120.786409
where:
bonds (distance) C4'-P energy: -28.843
bonds (distance) P-C4' energy: -35.912
flat angles C4'-P-C4' energy: -43.009
flat angles P-C4'-P energy: -22.387
tors. eta vs tors. theta energy: 9.365
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: 8
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -194.064955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.064955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.064955 (E_RNA)
where:
Base-Base interactions energy: -73.274
where: short stacking energy: -51.412
Base-Backbone interact. energy: 2.208
local terms energy: -122.998896
where:
bonds (distance) C4'-P energy: -34.370
bonds (distance) P-C4' energy: -36.772
flat angles C4'-P-C4' energy: -24.677
flat angles P-C4'-P energy: -24.428
tors. eta vs tors. theta energy: -2.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -659.835385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.835385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.835385 (E_RNA)
where:
Base-Base interactions energy: -444.399
where: short stacking energy: -200.814
Base-Backbone interact. energy: -0.483
local terms energy: -214.953399
where:
bonds (distance) C4'-P energy: -40.758
bonds (distance) P-C4' energy: -41.351
flat angles C4'-P-C4' energy: -44.094
flat angles P-C4'-P energy: -25.151
tors. eta vs tors. theta energy: -63.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -624.413334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.413334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.413334 (E_RNA)
where:
Base-Base interactions energy: -417.193
where: short stacking energy: -184.159
Base-Backbone interact. energy: -1.473
local terms energy: -205.746699
where:
bonds (distance) C4'-P energy: -36.400
bonds (distance) P-C4' energy: -40.586
flat angles C4'-P-C4' energy: -42.347
flat angles P-C4'-P energy: -29.765
tors. eta vs tors. theta energy: -56.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -560.872515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.872515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.872515 (E_RNA)
where:
Base-Base interactions energy: -365.588
where: short stacking energy: -174.627
Base-Backbone interact. energy: -0.107
local terms energy: -195.178202
where:
bonds (distance) C4'-P energy: -36.101
bonds (distance) P-C4' energy: -33.738
flat angles C4'-P-C4' energy: -38.239
flat angles P-C4'-P energy: -33.376
tors. eta vs tors. theta energy: -53.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -545.552435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.552435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.552435 (E_RNA)
where:
Base-Base interactions energy: -360.559
where: short stacking energy: -149.133
Base-Backbone interact. energy: -0.420
local terms energy: -184.573614
where:
bonds (distance) C4'-P energy: -34.931
bonds (distance) P-C4' energy: -48.402
flat angles C4'-P-C4' energy: -44.306
flat angles P-C4'-P energy: -18.443
tors. eta vs tors. theta energy: -38.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -456.322347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.322347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.322347 (E_RNA)
where:
Base-Base interactions energy: -283.231
where: short stacking energy: -136.059
Base-Backbone interact. energy: -1.968
local terms energy: -171.123550
where:
bonds (distance) C4'-P energy: -26.776
bonds (distance) P-C4' energy: -37.036
flat angles C4'-P-C4' energy: -37.932
flat angles P-C4'-P energy: -26.845
tors. eta vs tors. theta energy: -42.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -380.981152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.981152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.981152 (E_RNA)
where:
Base-Base interactions energy: -231.131
where: short stacking energy: -119.508
Base-Backbone interact. energy: 0.151
local terms energy: -150.001011
where:
bonds (distance) C4'-P energy: -40.735
bonds (distance) P-C4' energy: -26.192
flat angles C4'-P-C4' energy: -38.873
flat angles P-C4'-P energy: -15.626
tors. eta vs tors. theta energy: -28.574
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: 2
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -390.269867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.269867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.269867 (E_RNA)
where:
Base-Base interactions energy: -240.751
where: short stacking energy: -118.569
Base-Backbone interact. energy: -0.160
local terms energy: -149.358856
where:
bonds (distance) C4'-P energy: -35.290
bonds (distance) P-C4' energy: -26.361
flat angles C4'-P-C4' energy: -34.958
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -26.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -264.610011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.610011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.610011 (E_RNA)
where:
Base-Base interactions energy: -135.060
where: short stacking energy: -80.878
Base-Backbone interact. energy: -0.166
local terms energy: -129.383940
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -35.662
flat angles C4'-P-C4' energy: -35.248
flat angles P-C4'-P energy: -31.088
tors. eta vs tors. theta energy: -13.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -184.466657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.466657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.466657 (E_RNA)
where:
Base-Base interactions energy: -64.390
where: short stacking energy: -60.402
Base-Backbone interact. energy: -1.707
local terms energy: -118.368903
where:
bonds (distance) C4'-P energy: -37.094
bonds (distance) P-C4' energy: -42.877
flat angles C4'-P-C4' energy: -29.373
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: 4.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -162.775694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.775694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.775694 (E_RNA)
where:
Base-Base interactions energy: -54.883
where: short stacking energy: -46.577
Base-Backbone interact. energy: 1.331
local terms energy: -109.223735
where:
bonds (distance) C4'-P energy: -38.676
bonds (distance) P-C4' energy: -28.281
flat angles C4'-P-C4' energy: -29.070
flat angles P-C4'-P energy: -22.642
tors. eta vs tors. theta energy: 9.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -682.251423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.251423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.251423 (E_RNA)
where:
Base-Base interactions energy: -447.474
where: short stacking energy: -203.142
Base-Backbone interact. energy: -0.639
local terms energy: -234.138722
where:
bonds (distance) C4'-P energy: -42.417
bonds (distance) P-C4' energy: -41.378
flat angles C4'-P-C4' energy: -44.511
flat angles P-C4'-P energy: -35.411
tors. eta vs tors. theta energy: -70.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -617.565182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.565182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.565182 (E_RNA)
where:
Base-Base interactions energy: -416.422
where: short stacking energy: -183.067
Base-Backbone interact. energy: -1.827
local terms energy: -199.316417
where:
bonds (distance) C4'-P energy: -35.903
bonds (distance) P-C4' energy: -37.639
flat angles C4'-P-C4' energy: -38.990
flat angles P-C4'-P energy: -28.527
tors. eta vs tors. theta energy: -58.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -540.937197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.937197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.937197 (E_RNA)
where:
Base-Base interactions energy: -349.621
where: short stacking energy: -158.496
Base-Backbone interact. energy: -0.410
local terms energy: -190.906399
where:
bonds (distance) C4'-P energy: -32.402
bonds (distance) P-C4' energy: -41.433
flat angles C4'-P-C4' energy: -41.225
flat angles P-C4'-P energy: -29.175
tors. eta vs tors. theta energy: -46.671
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: 71
Temperature: 1.050000
Total energy: -559.163563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.163563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.163563 (E_RNA)
where:
Base-Base interactions energy: -367.302
where: short stacking energy: -153.319
Base-Backbone interact. energy: 0.151
local terms energy: -192.012305
where:
bonds (distance) C4'-P energy: -35.518
bonds (distance) P-C4' energy: -46.343
flat angles C4'-P-C4' energy: -37.601
flat angles P-C4'-P energy: -24.626
tors. eta vs tors. theta energy: -47.925
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: 6
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -436.093321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.093321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.093321 (E_RNA)
where:
Base-Base interactions energy: -265.803
where: short stacking energy: -110.264
Base-Backbone interact. energy: 0.643
local terms energy: -170.933360
where:
bonds (distance) C4'-P energy: -40.173
bonds (distance) P-C4' energy: -39.114
flat angles C4'-P-C4' energy: -37.122
flat angles P-C4'-P energy: -25.770
tors. eta vs tors. theta energy: -28.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -414.618114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.618114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.618114 (E_RNA)
where:
Base-Base interactions energy: -249.362
where: short stacking energy: -118.695
Base-Backbone interact. energy: -1.025
local terms energy: -164.231357
where:
bonds (distance) C4'-P energy: -44.195
bonds (distance) P-C4' energy: -38.805
flat angles C4'-P-C4' energy: -24.670
flat angles P-C4'-P energy: -22.194
tors. eta vs tors. theta energy: -34.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -357.237548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.237548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.237548 (E_RNA)
where:
Base-Base interactions energy: -207.277
where: short stacking energy: -106.764
Base-Backbone interact. energy: -1.615
local terms energy: -148.345843
where:
bonds (distance) C4'-P energy: -36.568
bonds (distance) P-C4' energy: -36.216
flat angles C4'-P-C4' energy: -34.669
flat angles P-C4'-P energy: -19.190
tors. eta vs tors. theta energy: -21.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -253.270152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.270152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.270152 (E_RNA)
where:
Base-Base interactions energy: -117.107
where: short stacking energy: -72.257
Base-Backbone interact. energy: 1.836
local terms energy: -137.999753
where:
bonds (distance) C4'-P energy: -34.917
bonds (distance) P-C4' energy: -37.619
flat angles C4'-P-C4' energy: -42.954
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -12.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -187.682220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.682220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.682220 (E_RNA)
where:
Base-Base interactions energy: -66.556
where: short stacking energy: -61.390
Base-Backbone interact. energy: 0.257
local terms energy: -121.382998
where:
bonds (distance) C4'-P energy: -32.762
bonds (distance) P-C4' energy: -26.667
flat angles C4'-P-C4' energy: -33.661
flat angles P-C4'-P energy: -19.930
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: 10, replica: 10
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -169.566627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.566627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.566627 (E_RNA)
where:
Base-Base interactions energy: -52.582
where: short stacking energy: -41.282
Base-Backbone interact. energy: -0.649
local terms energy: -116.334958
where:
bonds (distance) C4'-P energy: -33.247
bonds (distance) P-C4' energy: -34.145
flat angles C4'-P-C4' energy: -38.278
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: 1.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -646.099452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.099452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.099452 (E_RNA)
where:
Base-Base interactions energy: -442.428
where: short stacking energy: -192.292
Base-Backbone interact. energy: -1.177
local terms energy: -202.494165
where:
bonds (distance) C4'-P energy: -41.793
bonds (distance) P-C4' energy: -40.818
flat angles C4'-P-C4' energy: -40.709
flat angles P-C4'-P energy: -26.207
tors. eta vs tors. theta energy: -52.967
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: 7
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -647.697466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.697466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.697466 (E_RNA)
where:
Base-Base interactions energy: -431.157
where: short stacking energy: -190.195
Base-Backbone interact. energy: -0.230
local terms energy: -216.310063
where:
bonds (distance) C4'-P energy: -40.086
bonds (distance) P-C4' energy: -43.630
flat angles C4'-P-C4' energy: -45.815
flat angles P-C4'-P energy: -26.120
tors. eta vs tors. theta energy: -60.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -584.415592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.415592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.415592 (E_RNA)
where:
Base-Base interactions energy: -384.353
where: short stacking energy: -173.764
Base-Backbone interact. energy: -0.427
local terms energy: -199.635235
where:
bonds (distance) C4'-P energy: -41.813
bonds (distance) P-C4' energy: -39.803
flat angles C4'-P-C4' energy: -40.457
flat angles P-C4'-P energy: -33.602
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: 4, replica: 4
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -552.771943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.771943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.771943 (E_RNA)
where:
Base-Base interactions energy: -352.018
where: short stacking energy: -177.652
Base-Backbone interact. energy: -0.457
local terms energy: -200.297076
where:
bonds (distance) C4'-P energy: -45.649
bonds (distance) P-C4' energy: -31.725
flat angles C4'-P-C4' energy: -42.298
flat angles P-C4'-P energy: -27.934
tors. eta vs tors. theta energy: -52.692
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: 5, replica: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -419.535733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.535733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.535733 (E_RNA)
where:
Base-Base interactions energy: -236.697
where: short stacking energy: -123.033
Base-Backbone interact. energy: -0.627
local terms energy: -182.211592
where:
bonds (distance) C4'-P energy: -41.913
bonds (distance) P-C4' energy: -40.041
flat angles C4'-P-C4' energy: -36.729
flat angles P-C4'-P energy: -28.984
tors. eta vs tors. theta energy: -34.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -405.619987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.619987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.619987 (E_RNA)
where:
Base-Base interactions energy: -234.593
where: short stacking energy: -106.864
Base-Backbone interact. energy: -1.863
local terms energy: -169.163765
where:
bonds (distance) C4'-P energy: -34.596
bonds (distance) P-C4' energy: -39.200
flat angles C4'-P-C4' energy: -41.647
flat angles P-C4'-P energy: -19.002
tors. eta vs tors. theta energy: -34.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -364.308197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.308197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.308197 (E_RNA)
where:
Base-Base interactions energy: -223.486
where: short stacking energy: -109.394
Base-Backbone interact. energy: -1.354
local terms energy: -139.468207
where:
bonds (distance) C4'-P energy: -28.721
bonds (distance) P-C4' energy: -46.820
flat angles C4'-P-C4' energy: -30.918
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -20.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -201.774207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.774207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.774207 (E_RNA)
where:
Base-Base interactions energy: -72.006
where: short stacking energy: -50.890
Base-Backbone interact. energy: 1.104
local terms energy: -130.872705
where:
bonds (distance) C4'-P energy: -25.234
bonds (distance) P-C4' energy: -40.908
flat angles C4'-P-C4' energy: -35.169
flat angles P-C4'-P energy: -26.155
tors. eta vs tors. theta energy: -3.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -178.143922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.143922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.143922 (E_RNA)
where:
Base-Base interactions energy: -54.973
where: short stacking energy: -47.960
Base-Backbone interact. energy: -0.032
local terms energy: -123.138954
where:
bonds (distance) C4'-P energy: -38.421
bonds (distance) P-C4' energy: -31.754
flat angles C4'-P-C4' energy: -27.826
flat angles P-C4'-P energy: -25.340
tors. eta vs tors. theta energy: 0.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -170.740469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.740469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.740469 (E_RNA)
where:
Base-Base interactions energy: -55.644
where: short stacking energy: -46.378
Base-Backbone interact. energy: -0.480
local terms energy: -114.616889
where:
bonds (distance) C4'-P energy: -35.291
bonds (distance) P-C4' energy: -38.798
flat angles C4'-P-C4' energy: -22.431
flat angles P-C4'-P energy: -23.192
tors. eta vs tors. theta energy: 5.095
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: 1, replica: 5
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -647.825720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.825720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.825720 (E_RNA)
where:
Base-Base interactions energy: -425.290
where: short stacking energy: -184.446
Base-Backbone interact. energy: -0.384
local terms energy: -222.151867
where:
bonds (distance) C4'-P energy: -42.778
bonds (distance) P-C4' energy: -42.254
flat angles C4'-P-C4' energy: -50.799
flat angles P-C4'-P energy: -27.688
tors. eta vs tors. theta energy: -58.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -634.912233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.912233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.912233 (E_RNA)
where:
Base-Base interactions energy: -430.500
where: short stacking energy: -201.418
Base-Backbone interact. energy: -0.360
local terms energy: -204.051804
where:
bonds (distance) C4'-P energy: -42.850
bonds (distance) P-C4' energy: -37.364
flat angles C4'-P-C4' energy: -33.026
flat angles P-C4'-P energy: -30.891
tors. eta vs tors. theta energy: -59.921
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: 3, replica: 1
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -582.340447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.340447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.340447 (E_RNA)
where:
Base-Base interactions energy: -391.536
where: short stacking energy: -171.485
Base-Backbone interact. energy: -0.450
local terms energy: -190.354267
where:
bonds (distance) C4'-P energy: -35.227
bonds (distance) P-C4' energy: -37.213
flat angles C4'-P-C4' energy: -39.789
flat angles P-C4'-P energy: -34.326
tors. eta vs tors. theta energy: -43.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -552.925396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.925396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.925396 (E_RNA)
where:
Base-Base interactions energy: -360.437
where: short stacking energy: -166.507
Base-Backbone interact. energy: -0.132
local terms energy: -192.356537
where:
bonds (distance) C4'-P energy: -40.528
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -42.385
flat angles P-C4'-P energy: -32.781
tors. eta vs tors. theta energy: -54.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -467.411913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.411913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.411913 (E_RNA)
where:
Base-Base interactions energy: -303.468
where: short stacking energy: -134.523
Base-Backbone interact. energy: 0.566
local terms energy: -164.510282
where:
bonds (distance) C4'-P energy: -36.022
bonds (distance) P-C4' energy: -31.407
flat angles C4'-P-C4' energy: -41.754
flat angles P-C4'-P energy: -21.907
tors. eta vs tors. theta energy: -33.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -380.486730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.486730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.486730 (E_RNA)
where:
Base-Base interactions energy: -214.269
where: short stacking energy: -113.394
Base-Backbone interact. energy: 0.129
local terms energy: -166.347458
where:
bonds (distance) C4'-P energy: -37.631
bonds (distance) P-C4' energy: -35.277
flat angles C4'-P-C4' energy: -35.555
flat angles P-C4'-P energy: -31.352
tors. eta vs tors. theta energy: -26.533
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: 7, replica: 6
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -392.982377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.982377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.982377 (E_RNA)
where:
Base-Base interactions energy: -238.457
where: short stacking energy: -119.607
Base-Backbone interact. energy: -0.238
local terms energy: -154.288164
where:
bonds (distance) C4'-P energy: -31.203
bonds (distance) P-C4' energy: -36.336
flat angles C4'-P-C4' energy: -38.445
flat angles P-C4'-P energy: -24.113
tors. eta vs tors. theta energy: -24.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -201.357037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.357037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.357037 (E_RNA)
where:
Base-Base interactions energy: -95.868
where: short stacking energy: -67.825
Base-Backbone interact. energy: 1.031
local terms energy: -106.519372
where:
bonds (distance) C4'-P energy: -30.765
bonds (distance) P-C4' energy: -29.168
flat angles C4'-P-C4' energy: -23.396
flat angles P-C4'-P energy: -16.688
tors. eta vs tors. theta energy: -6.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -187.031752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.031752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.031752 (E_RNA)
where:
Base-Base interactions energy: -64.759
where: short stacking energy: -59.906
Base-Backbone interact. energy: -0.642
local terms energy: -121.630114
where:
bonds (distance) C4'-P energy: -32.635
bonds (distance) P-C4' energy: -35.361
flat angles C4'-P-C4' energy: -32.804
flat angles P-C4'-P energy: -16.824
tors. eta vs tors. theta energy: -4.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -162.069582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.069582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.069582 (E_RNA)
where:
Base-Base interactions energy: -53.921
where: short stacking energy: -46.382
Base-Backbone interact. energy: -0.462
local terms energy: -107.686523
where:
bonds (distance) C4'-P energy: -25.750
bonds (distance) P-C4' energy: -36.437
flat angles C4'-P-C4' energy: -30.277
flat angles P-C4'-P energy: -21.637
tors. eta vs tors. theta energy: 6.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -650.997973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.997973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.997973 (E_RNA)
where:
Base-Base interactions energy: -428.311
where: short stacking energy: -190.827
Base-Backbone interact. energy: -1.067
local terms energy: -221.619918
where:
bonds (distance) C4'-P energy: -42.596
bonds (distance) P-C4' energy: -45.216
flat angles C4'-P-C4' energy: -45.605
flat angles P-C4'-P energy: -31.032
tors. eta vs tors. theta energy: -57.170
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: 7
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -637.371525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.371525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.371525 (E_RNA)
where:
Base-Base interactions energy: -428.740
where: short stacking energy: -198.662
Base-Backbone interact. energy: -0.176
local terms energy: -208.455767
where:
bonds (distance) C4'-P energy: -38.167
bonds (distance) P-C4' energy: -34.770
flat angles C4'-P-C4' energy: -48.320
flat angles P-C4'-P energy: -25.703
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: 3, replica: 1
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -569.816240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.816240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.816240 (E_RNA)
where:
Base-Base interactions energy: -391.868
where: short stacking energy: -176.487
Base-Backbone interact. energy: -0.368
local terms energy: -177.580823
where:
bonds (distance) C4'-P energy: -31.919
bonds (distance) P-C4' energy: -28.664
flat angles C4'-P-C4' energy: -46.559
flat angles P-C4'-P energy: -25.650
tors. eta vs tors. theta energy: -44.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -548.366836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.366836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.366836 (E_RNA)
where:
Base-Base interactions energy: -344.808
where: short stacking energy: -177.153
Base-Backbone interact. energy: -1.067
local terms energy: -202.492676
where:
bonds (distance) C4'-P energy: -37.649
bonds (distance) P-C4' energy: -39.410
flat angles C4'-P-C4' energy: -45.557
flat angles P-C4'-P energy: -27.860
tors. eta vs tors. theta energy: -52.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -463.574875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.574875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.574875 (E_RNA)
where:
Base-Base interactions energy: -307.247
where: short stacking energy: -138.892
Base-Backbone interact. energy: 1.545
local terms energy: -157.872569
where:
bonds (distance) C4'-P energy: -27.363
bonds (distance) P-C4' energy: -35.898
flat angles C4'-P-C4' energy: -40.314
flat angles P-C4'-P energy: -19.635
tors. eta vs tors. theta energy: -34.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -403.822163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.822163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.822163 (E_RNA)
where:
Base-Base interactions energy: -234.702
where: short stacking energy: -110.605
Base-Backbone interact. energy: 0.343
local terms energy: -169.463372
where:
bonds (distance) C4'-P energy: -35.059
bonds (distance) P-C4' energy: -40.950
flat angles C4'-P-C4' energy: -43.966
flat angles P-C4'-P energy: -17.407
tors. eta vs tors. theta energy: -32.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -314.686324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.686324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.686324 (E_RNA)
where:
Base-Base interactions energy: -167.603
where: short stacking energy: -96.303
Base-Backbone interact. energy: -1.599
local terms energy: -145.484163
where:
bonds (distance) C4'-P energy: -37.917
bonds (distance) P-C4' energy: -41.290
flat angles C4'-P-C4' energy: -35.283
flat angles P-C4'-P energy: -15.011
tors. eta vs tors. theta energy: -15.983
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: 8, replica: 9
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -209.116924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.116924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.116924 (E_RNA)
where:
Base-Base interactions energy: -93.442
where: short stacking energy: -66.460
Base-Backbone interact. energy: -0.482
local terms energy: -115.192406
where:
bonds (distance) C4'-P energy: -30.061
bonds (distance) P-C4' energy: -40.455
flat angles C4'-P-C4' energy: -30.794
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -2.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -175.148870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.148870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.148870 (E_RNA)
where:
Base-Base interactions energy: -79.132
where: short stacking energy: -52.685
Base-Backbone interact. energy: -0.250
local terms energy: -95.766844
where:
bonds (distance) C4'-P energy: -24.775
bonds (distance) P-C4' energy: -43.604
flat angles C4'-P-C4' energy: -26.495
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: 10.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -176.213505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.213505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.213505 (E_RNA)
where:
Base-Base interactions energy: -55.733
where: short stacking energy: -53.498
Base-Backbone interact. energy: -1.894
local terms energy: -118.586307
where:
bonds (distance) C4'-P energy: -30.883
bonds (distance) P-C4' energy: -40.470
flat angles C4'-P-C4' energy: -29.859
flat angles P-C4'-P energy: -18.702
tors. eta vs tors. theta energy: 1.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -652.277522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.277522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.277522 (E_RNA)
where:
Base-Base interactions energy: -445.371
where: short stacking energy: -187.764
Base-Backbone interact. energy: -0.564
local terms energy: -206.342841
where:
bonds (distance) C4'-P energy: -37.089
bonds (distance) P-C4' energy: -46.596
flat angles C4'-P-C4' energy: -39.777
flat angles P-C4'-P energy: -28.033
tors. eta vs tors. theta energy: -54.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -645.358609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.358609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.358609 (E_RNA)
where:
Base-Base interactions energy: -441.126
where: short stacking energy: -198.466
Base-Backbone interact. energy: -0.613
local terms energy: -203.619594
where:
bonds (distance) C4'-P energy: -38.557
bonds (distance) P-C4' energy: -36.501
flat angles C4'-P-C4' energy: -41.703
flat angles P-C4'-P energy: -24.246
tors. eta vs tors. theta energy: -62.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -583.159141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.159141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.159141 (E_RNA)
where:
Base-Base interactions energy: -396.596
where: short stacking energy: -162.118
Base-Backbone interact. energy: -0.344
local terms energy: -186.219584
where:
bonds (distance) C4'-P energy: -35.562
bonds (distance) P-C4' energy: -39.018
flat angles C4'-P-C4' energy: -43.664
flat angles P-C4'-P energy: -28.331
tors. eta vs tors. theta energy: -39.645
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: 75
Temperature: 1.050000
Total energy: -543.434841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.434841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.434841 (E_RNA)
where:
Base-Base interactions energy: -346.940
where: short stacking energy: -174.880
Base-Backbone interact. energy: -0.442
local terms energy: -196.052825
where:
bonds (distance) C4'-P energy: -37.306
bonds (distance) P-C4' energy: -39.364
flat angles C4'-P-C4' energy: -38.846
flat angles P-C4'-P energy: -25.150
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: 5, replica: 2
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -474.157800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.157800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.157800 (E_RNA)
where:
Base-Base interactions energy: -307.577
where: short stacking energy: -146.735
Base-Backbone interact. energy: -0.395
local terms energy: -166.185643
where:
bonds (distance) C4'-P energy: -23.389
bonds (distance) P-C4' energy: -39.200
flat angles C4'-P-C4' energy: -39.196
flat angles P-C4'-P energy: -25.524
tors. eta vs tors. theta energy: -38.877
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: 3
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -393.802360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.802360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.802360 (E_RNA)
where:
Base-Base interactions energy: -236.059
where: short stacking energy: -108.290
Base-Backbone interact. energy: 0.407
local terms energy: -158.150315
where:
bonds (distance) C4'-P energy: -37.430
bonds (distance) P-C4' energy: -36.408
flat angles C4'-P-C4' energy: -38.595
flat angles P-C4'-P energy: -21.067
tors. eta vs tors. theta energy: -24.650
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: 6
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -301.228207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.228207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.228207 (E_RNA)
where:
Base-Base interactions energy: -162.269
where: short stacking energy: -98.218
Base-Backbone interact. energy: 0.356
local terms energy: -139.314942
where:
bonds (distance) C4'-P energy: -37.900
bonds (distance) P-C4' energy: -34.424
flat angles C4'-P-C4' energy: -39.459
flat angles P-C4'-P energy: -17.899
tors. eta vs tors. theta energy: -9.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -178.942918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.942918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.942918 (E_RNA)
where:
Base-Base interactions energy: -62.767
where: short stacking energy: -39.644
Base-Backbone interact. energy: -0.507
local terms energy: -115.668840
where:
bonds (distance) C4'-P energy: -40.046
bonds (distance) P-C4' energy: -45.057
flat angles C4'-P-C4' energy: -23.089
flat angles P-C4'-P energy: -15.653
tors. eta vs tors. theta energy: 8.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -186.085030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.085030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.085030 (E_RNA)
where:
Base-Base interactions energy: -55.554
where: short stacking energy: -50.853
Base-Backbone interact. energy: -0.308
local terms energy: -130.222953
where:
bonds (distance) C4'-P energy: -36.230
bonds (distance) P-C4' energy: -37.110
flat angles C4'-P-C4' energy: -34.927
flat angles P-C4'-P energy: -18.834
tors. eta vs tors. theta energy: -3.121
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: 8
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -169.992482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.992482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.992482 (E_RNA)
where:
Base-Base interactions energy: -59.406
where: short stacking energy: -54.117
Base-Backbone interact. energy: 2.603
local terms energy: -113.189114
where:
bonds (distance) C4'-P energy: -35.077
bonds (distance) P-C4' energy: -40.850
flat angles C4'-P-C4' energy: -21.244
flat angles P-C4'-P energy: -16.431
tors. eta vs tors. theta energy: 0.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -651.020238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.020238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.020238 (E_RNA)
where:
Base-Base interactions energy: -432.906
where: short stacking energy: -199.336
Base-Backbone interact. energy: -0.212
local terms energy: -217.902852
where:
bonds (distance) C4'-P energy: -38.262
bonds (distance) P-C4' energy: -40.194
flat angles C4'-P-C4' energy: -44.871
flat angles P-C4'-P energy: -28.918
tors. eta vs tors. theta energy: -65.658
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: 5
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -646.642240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.642240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.642240 (E_RNA)
where:
Base-Base interactions energy: -440.427
where: short stacking energy: -192.839
Base-Backbone interact. energy: -0.524
local terms energy: -205.691054
where:
bonds (distance) C4'-P energy: -32.017
bonds (distance) P-C4' energy: -42.728
flat angles C4'-P-C4' energy: -42.942
flat angles P-C4'-P energy: -27.607
tors. eta vs tors. theta energy: -60.396
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: 3, replica: 1
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -585.846995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.846995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.846995 (E_RNA)
where:
Base-Base interactions energy: -385.952
where: short stacking energy: -162.902
Base-Backbone interact. energy: -0.704
local terms energy: -199.190748
where:
bonds (distance) C4'-P energy: -45.694
bonds (distance) P-C4' energy: -40.991
flat angles C4'-P-C4' energy: -36.143
flat angles P-C4'-P energy: -29.324
tors. eta vs tors. theta energy: -47.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -525.165415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.165415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.165415 (E_RNA)
where:
Base-Base interactions energy: -341.480
where: short stacking energy: -156.729
Base-Backbone interact. energy: 3.565
local terms energy: -187.250574
where:
bonds (distance) C4'-P energy: -34.149
bonds (distance) P-C4' energy: -34.151
flat angles C4'-P-C4' energy: -44.427
flat angles P-C4'-P energy: -26.485
tors. eta vs tors. theta energy: -48.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -432.223005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.223005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.223005 (E_RNA)
where:
Base-Base interactions energy: -272.802
where: short stacking energy: -133.782
Base-Backbone interact. energy: -0.112
local terms energy: -159.308690
where:
bonds (distance) C4'-P energy: -31.376
bonds (distance) P-C4' energy: -34.888
flat angles C4'-P-C4' energy: -36.249
flat angles P-C4'-P energy: -25.455
tors. eta vs tors. theta energy: -31.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -384.467098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.467098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.467098 (E_RNA)
where:
Base-Base interactions energy: -236.349
where: short stacking energy: -122.894
Base-Backbone interact. energy: 1.372
local terms energy: -149.490096
where:
bonds (distance) C4'-P energy: -32.139
bonds (distance) P-C4' energy: -31.362
flat angles C4'-P-C4' energy: -36.318
flat angles P-C4'-P energy: -23.499
tors. eta vs tors. theta energy: -26.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -310.795575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.795575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.795575 (E_RNA)
where:
Base-Base interactions energy: -184.360
where: short stacking energy: -87.465
Base-Backbone interact. energy: -1.909
local terms energy: -124.526650
where:
bonds (distance) C4'-P energy: -33.272
bonds (distance) P-C4' energy: -29.222
flat angles C4'-P-C4' energy: -34.301
flat angles P-C4'-P energy: -17.817
tors. eta vs tors. theta energy: -9.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -186.044996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.044996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.044996 (E_RNA)
where:
Base-Base interactions energy: -55.507
where: short stacking energy: -49.439
Base-Backbone interact. energy: -0.150
local terms energy: -130.388397
where:
bonds (distance) C4'-P energy: -37.733
bonds (distance) P-C4' energy: -39.340
flat angles C4'-P-C4' energy: -27.731
flat angles P-C4'-P energy: -20.399
tors. eta vs tors. theta energy: -5.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -166.792054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.792054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.792054 (E_RNA)
where:
Base-Base interactions energy: -69.455
where: short stacking energy: -42.532
Base-Backbone interact. energy: -1.639
local terms energy: -95.697961
where:
bonds (distance) C4'-P energy: -29.236
bonds (distance) P-C4' energy: -32.753
flat angles C4'-P-C4' energy: -27.975
flat angles P-C4'-P energy: -15.114
tors. eta vs tors. theta energy: 9.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -175.762279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.762279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.762279 (E_RNA)
where:
Base-Base interactions energy: -71.281
where: short stacking energy: -52.269
Base-Backbone interact. energy: -1.246
local terms energy: -103.234638
where:
bonds (distance) C4'-P energy: -33.712
bonds (distance) P-C4' energy: -32.809
flat angles C4'-P-C4' energy: -31.292
flat angles P-C4'-P energy: -5.726
tors. eta vs tors. theta energy: 0.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -659.298086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.298086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.298086 (E_RNA)
where:
Base-Base interactions energy: -442.684
where: short stacking energy: -197.571
Base-Backbone interact. energy: -0.549
local terms energy: -216.065919
where:
bonds (distance) C4'-P energy: -34.113
bonds (distance) P-C4' energy: -46.113
flat angles C4'-P-C4' energy: -43.236
flat angles P-C4'-P energy: -31.630
tors. eta vs tors. theta energy: -60.974
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: 1
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -587.229853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.229853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.229853 (E_RNA)
where:
Base-Base interactions energy: -393.045
where: short stacking energy: -169.957
Base-Backbone interact. energy: -1.410
local terms energy: -192.775298
where:
bonds (distance) C4'-P energy: -40.837
bonds (distance) P-C4' energy: -39.495
flat angles C4'-P-C4' energy: -39.022
flat angles P-C4'-P energy: -24.785
tors. eta vs tors. theta energy: -48.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -612.563132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.563132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.563132 (E_RNA)
where:
Base-Base interactions energy: -427.075
where: short stacking energy: -173.577
Base-Backbone interact. energy: -0.901
local terms energy: -184.587146
where:
bonds (distance) C4'-P energy: -37.774
bonds (distance) P-C4' energy: -27.007
flat angles C4'-P-C4' energy: -37.941
flat angles P-C4'-P energy: -30.828
tors. eta vs tors. theta energy: -51.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -508.729627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.729627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.729627 (E_RNA)
where:
Base-Base interactions energy: -322.350
where: short stacking energy: -167.126
Base-Backbone interact. energy: -0.276
local terms energy: -186.103090
where:
bonds (distance) C4'-P energy: -33.612
bonds (distance) P-C4' energy: -34.723
flat angles C4'-P-C4' energy: -37.941
flat angles P-C4'-P energy: -25.644
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: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -409.332213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.332213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.332213 (E_RNA)
where:
Base-Base interactions energy: -246.672
where: short stacking energy: -108.669
Base-Backbone interact. energy: 0.696
local terms energy: -163.355994
where:
bonds (distance) C4'-P energy: -35.740
bonds (distance) P-C4' energy: -37.354
flat angles C4'-P-C4' energy: -41.260
flat angles P-C4'-P energy: -23.106
tors. eta vs tors. theta energy: -25.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -390.063954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.063954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.063954 (E_RNA)
where:
Base-Base interactions energy: -238.542
where: short stacking energy: -113.533
Base-Backbone interact. energy: 0.114
local terms energy: -151.636271
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -37.556
flat angles C4'-P-C4' energy: -35.312
flat angles P-C4'-P energy: -26.595
tors. eta vs tors. theta energy: -33.453
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: 7, replica: 6
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -316.435113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.435113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.435113 (E_RNA)
where:
Base-Base interactions energy: -169.831
where: short stacking energy: -89.270
Base-Backbone interact. energy: -1.289
local terms energy: -145.315553
where:
bonds (distance) C4'-P energy: -26.380
bonds (distance) P-C4' energy: -43.888
flat angles C4'-P-C4' energy: -26.991
flat angles P-C4'-P energy: -29.326
tors. eta vs tors. theta energy: -18.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -234.486739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.486739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.486739 (E_RNA)
where:
Base-Base interactions energy: -116.991
where: short stacking energy: -73.374
Base-Backbone interact. energy: -0.538
local terms energy: -116.958056
where:
bonds (distance) C4'-P energy: -27.518
bonds (distance) P-C4' energy: -26.124
flat angles C4'-P-C4' energy: -35.505
flat angles P-C4'-P energy: -17.089
tors. eta vs tors. theta energy: -10.723
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: 9
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -183.386968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.386968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.386968 (E_RNA)
where:
Base-Base interactions energy: -76.039
where: short stacking energy: -56.369
Base-Backbone interact. energy: -0.936
local terms energy: -106.412416
where:
bonds (distance) C4'-P energy: -23.519
bonds (distance) P-C4' energy: -38.831
flat angles C4'-P-C4' energy: -27.810
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -2.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -171.614483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.614483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.614483 (E_RNA)
where:
Base-Base interactions energy: -66.356
where: short stacking energy: -35.298
Base-Backbone interact. energy: -1.339
local terms energy: -103.919746
where:
bonds (distance) C4'-P energy: -25.204
bonds (distance) P-C4' energy: -32.148
flat angles C4'-P-C4' energy: -26.404
flat angles P-C4'-P energy: -23.734
tors. eta vs tors. theta energy: 3.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -660.966683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.966683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.966683 (E_RNA)
where:
Base-Base interactions energy: -438.135
where: short stacking energy: -202.921
Base-Backbone interact. energy: -0.406
local terms energy: -222.425565
where:
bonds (distance) C4'-P energy: -44.781
bonds (distance) P-C4' energy: -39.238
flat angles C4'-P-C4' energy: -44.921
flat angles P-C4'-P energy: -27.631
tors. eta vs tors. theta energy: -65.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -592.662542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.662542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.662542 (E_RNA)
where:
Base-Base interactions energy: -399.432
where: short stacking energy: -175.842
Base-Backbone interact. energy: -0.974
local terms energy: -192.256168
where:
bonds (distance) C4'-P energy: -36.137
bonds (distance) P-C4' energy: -40.120
flat angles C4'-P-C4' energy: -40.738
flat angles P-C4'-P energy: -30.886
tors. eta vs tors. theta energy: -44.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -610.822475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.822475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.822475 (E_RNA)
where:
Base-Base interactions energy: -414.675
where: short stacking energy: -180.180
Base-Backbone interact. energy: -0.684
local terms energy: -195.462602
where:
bonds (distance) C4'-P energy: -41.129
bonds (distance) P-C4' energy: -35.163
flat angles C4'-P-C4' energy: -38.884
flat angles P-C4'-P energy: -23.319
tors. eta vs tors. theta energy: -56.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -517.379152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.379152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.379152 (E_RNA)
where:
Base-Base interactions energy: -316.505
where: short stacking energy: -160.561
Base-Backbone interact. energy: -0.912
local terms energy: -199.962362
where:
bonds (distance) C4'-P energy: -37.384
bonds (distance) P-C4' energy: -42.326
flat angles C4'-P-C4' energy: -42.680
flat angles P-C4'-P energy: -31.010
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: 5, replica: 3
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -448.632705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.632705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.632705 (E_RNA)
where:
Base-Base interactions energy: -275.445
where: short stacking energy: -159.728
Base-Backbone interact. energy: 0.692
local terms energy: -173.879135
where:
bonds (distance) C4'-P energy: -36.005
bonds (distance) P-C4' energy: -41.275
flat angles C4'-P-C4' energy: -37.508
flat angles P-C4'-P energy: -22.475
tors. eta vs tors. theta energy: -36.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -398.471677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.471677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.471677 (E_RNA)
where:
Base-Base interactions energy: -244.220
where: short stacking energy: -109.029
Base-Backbone interact. energy: -2.368
local terms energy: -151.882997
where:
bonds (distance) C4'-P energy: -31.715
bonds (distance) P-C4' energy: -32.792
flat angles C4'-P-C4' energy: -34.617
flat angles P-C4'-P energy: -24.163
tors. eta vs tors. theta energy: -28.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -319.253661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.253661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.253661 (E_RNA)
where:
Base-Base interactions energy: -179.145
where: short stacking energy: -86.862
Base-Backbone interact. energy: 4.346
local terms energy: -144.454764
where:
bonds (distance) C4'-P energy: -43.292
bonds (distance) P-C4' energy: -33.218
flat angles C4'-P-C4' energy: -35.222
flat angles P-C4'-P energy: -28.308
tors. eta vs tors. theta energy: -4.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -207.640046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.640046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.640046 (E_RNA)
where:
Base-Base interactions energy: -93.196
where: short stacking energy: -44.288
Base-Backbone interact. energy: 0.466
local terms energy: -114.910525
where:
bonds (distance) C4'-P energy: -31.427
bonds (distance) P-C4' energy: -35.881
flat angles C4'-P-C4' energy: -30.583
flat angles P-C4'-P energy: -17.446
tors. eta vs tors. theta energy: 0.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -191.338356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.338356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.338356 (E_RNA)
where:
Base-Base interactions energy: -62.972
where: short stacking energy: -40.621
Base-Backbone interact. energy: -0.419
local terms energy: -127.947437
where:
bonds (distance) C4'-P energy: -35.593
bonds (distance) P-C4' energy: -42.976
flat angles C4'-P-C4' energy: -31.120
flat angles P-C4'-P energy: -14.939
tors. eta vs tors. theta energy: -3.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -168.986164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.986164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.986164 (E_RNA)
where:
Base-Base interactions energy: -44.932
where: short stacking energy: -39.848
Base-Backbone interact. energy: 2.106
local terms energy: -126.160054
where:
bonds (distance) C4'-P energy: -33.174
bonds (distance) P-C4' energy: -35.015
flat angles C4'-P-C4' energy: -37.507
flat angles P-C4'-P energy: -23.953
tors. eta vs tors. theta energy: 3.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -647.381648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.381648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.381648 (E_RNA)
where:
Base-Base interactions energy: -424.544
where: short stacking energy: -204.699
Base-Backbone interact. energy: -0.432
local terms energy: -222.405943
where:
bonds (distance) C4'-P energy: -39.616
bonds (distance) P-C4' energy: -43.519
flat angles C4'-P-C4' energy: -43.367
flat angles P-C4'-P energy: -31.029
tors. eta vs tors. theta energy: -64.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -645.833164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.833164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.833164 (E_RNA)
where:
Base-Base interactions energy: -435.240
where: short stacking energy: -207.916
Base-Backbone interact. energy: -0.487
local terms energy: -210.105838
where:
bonds (distance) C4'-P energy: -36.866
bonds (distance) P-C4' energy: -33.466
flat angles C4'-P-C4' energy: -45.645
flat angles P-C4'-P energy: -33.079
tors. eta vs tors. theta energy: -61.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -574.011580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.011580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.011580 (E_RNA)
where:
Base-Base interactions energy: -379.697
where: short stacking energy: -160.179
Base-Backbone interact. energy: -1.286
local terms energy: -193.028631
where:
bonds (distance) C4'-P energy: -38.807
bonds (distance) P-C4' energy: -38.048
flat angles C4'-P-C4' energy: -44.460
flat angles P-C4'-P energy: -25.267
tors. eta vs tors. theta energy: -46.447
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: 4
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -513.297976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.297976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.297976 (E_RNA)
where:
Base-Base interactions energy: -330.880
where: short stacking energy: -164.722
Base-Backbone interact. energy: -0.289
local terms energy: -182.129481
where:
bonds (distance) C4'-P energy: -41.294
bonds (distance) P-C4' energy: -27.991
flat angles C4'-P-C4' energy: -36.793
flat angles P-C4'-P energy: -28.708
tors. eta vs tors. theta energy: -47.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -433.989993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.989993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.989993 (E_RNA)
where:
Base-Base interactions energy: -262.729
where: short stacking energy: -125.245
Base-Backbone interact. energy: -1.145
local terms energy: -170.115861
where:
bonds (distance) C4'-P energy: -34.441
bonds (distance) P-C4' energy: -42.567
flat angles C4'-P-C4' energy: -41.320
flat angles P-C4'-P energy: -21.190
tors. eta vs tors. theta energy: -30.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -344.080975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.080975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.080975 (E_RNA)
where:
Base-Base interactions energy: -198.542
where: short stacking energy: -108.230
Base-Backbone interact. energy: -0.960
local terms energy: -144.578320
where:
bonds (distance) C4'-P energy: -34.012
bonds (distance) P-C4' energy: -37.842
flat angles C4'-P-C4' energy: -36.484
flat angles P-C4'-P energy: -18.956
tors. eta vs tors. theta energy: -17.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -370.694300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.694300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.694300 (E_RNA)
where:
Base-Base interactions energy: -221.216
where: short stacking energy: -92.891
Base-Backbone interact. energy: -0.644
local terms energy: -148.834488
where:
bonds (distance) C4'-P energy: -33.506
bonds (distance) P-C4' energy: -32.520
flat angles C4'-P-C4' energy: -36.753
flat angles P-C4'-P energy: -21.719
tors. eta vs tors. theta energy: -24.336
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: 9
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -219.312691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.312691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.312691 (E_RNA)
where:
Base-Base interactions energy: -94.497
where: short stacking energy: -71.323
Base-Backbone interact. energy: 1.085
local terms energy: -125.900410
where:
bonds (distance) C4'-P energy: -30.244
bonds (distance) P-C4' energy: -41.838
flat angles C4'-P-C4' energy: -25.697
flat angles P-C4'-P energy: -23.152
tors. eta vs tors. theta energy: -4.969
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: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -233.153399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.153399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.153399 (E_RNA)
where:
Base-Base interactions energy: -101.092
where: short stacking energy: -60.999
Base-Backbone interact. energy: -0.639
local terms energy: -131.422796
where:
bonds (distance) C4'-P energy: -27.897
bonds (distance) P-C4' energy: -42.148
flat angles C4'-P-C4' energy: -32.467
flat angles P-C4'-P energy: -23.039
tors. eta vs tors. theta energy: -5.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -166.804821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.804821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.804821 (E_RNA)
where:
Base-Base interactions energy: -68.156
where: short stacking energy: -48.104
Base-Backbone interact. energy: -1.870
local terms energy: -96.778488
where:
bonds (distance) C4'-P energy: -32.437
bonds (distance) P-C4' energy: -34.046
flat angles C4'-P-C4' energy: -22.062
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: 5.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -661.432261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.432261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.432261 (E_RNA)
where:
Base-Base interactions energy: -440.984
where: short stacking energy: -206.037
Base-Backbone interact. energy: 0.118
local terms energy: -220.565751
where:
bonds (distance) C4'-P energy: -43.238
bonds (distance) P-C4' energy: -36.647
flat angles C4'-P-C4' energy: -47.636
flat angles P-C4'-P energy: -33.179
tors. eta vs tors. theta energy: -59.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -660.500940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.500940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.500940 (E_RNA)
where:
Base-Base interactions energy: -446.210
where: short stacking energy: -214.646
Base-Backbone interact. energy: 1.329
local terms energy: -215.619714
where:
bonds (distance) C4'-P energy: -36.402
bonds (distance) P-C4' energy: -39.117
flat angles C4'-P-C4' energy: -42.968
flat angles P-C4'-P energy: -31.316
tors. eta vs tors. theta energy: -65.816
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: 80
Temperature: 1.000000
Total energy: -565.896866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.896866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.896866 (E_RNA)
where:
Base-Base interactions energy: -374.148
where: short stacking energy: -159.037
Base-Backbone interact. energy: -2.648
local terms energy: -189.101505
where:
bonds (distance) C4'-P energy: -33.473
bonds (distance) P-C4' energy: -43.957
flat angles C4'-P-C4' energy: -39.734
flat angles P-C4'-P energy: -30.436
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: 4, replica: 4
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -542.745252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.745252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.745252 (E_RNA)
where:
Base-Base interactions energy: -351.029
where: short stacking energy: -161.912
Base-Backbone interact. energy: -1.514
local terms energy: -190.202474
where:
bonds (distance) C4'-P energy: -38.758
bonds (distance) P-C4' energy: -37.947
flat angles C4'-P-C4' energy: -39.089
flat angles P-C4'-P energy: -25.547
tors. eta vs tors. theta energy: -48.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -414.637654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.637654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.637654 (E_RNA)
where:
Base-Base interactions energy: -257.227
where: short stacking energy: -114.593
Base-Backbone interact. energy: -0.535
local terms energy: -156.876004
where:
bonds (distance) C4'-P energy: -36.722
bonds (distance) P-C4' energy: -36.394
flat angles C4'-P-C4' energy: -32.357
flat angles P-C4'-P energy: -26.984
tors. eta vs tors. theta energy: -24.419
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: 6
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -395.021382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.021382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.021382 (E_RNA)
where:
Base-Base interactions energy: -225.446
where: short stacking energy: -117.754
Base-Backbone interact. energy: 0.188
local terms energy: -169.763534
where:
bonds (distance) C4'-P energy: -40.088
bonds (distance) P-C4' energy: -33.437
flat angles C4'-P-C4' energy: -42.478
flat angles P-C4'-P energy: -19.060
tors. eta vs tors. theta energy: -34.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -373.549364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.549364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.549364 (E_RNA)
where:
Base-Base interactions energy: -221.110
where: short stacking energy: -97.288
Base-Backbone interact. energy: -1.002
local terms energy: -151.436963
where:
bonds (distance) C4'-P energy: -35.541
bonds (distance) P-C4' energy: -33.138
flat angles C4'-P-C4' energy: -36.187
flat angles P-C4'-P energy: -22.616
tors. eta vs tors. theta energy: -23.955
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: 8, replica: 9
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -186.385054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.385054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.385054 (E_RNA)
where:
Base-Base interactions energy: -57.598
where: short stacking energy: -57.149
Base-Backbone interact. energy: 0.673
local terms energy: -129.460142
where:
bonds (distance) C4'-P energy: -29.616
bonds (distance) P-C4' energy: -35.374
flat angles C4'-P-C4' energy: -31.127
flat angles P-C4'-P energy: -26.087
tors. eta vs tors. theta energy: -7.256
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: 8
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -206.270386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.270386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.270386 (E_RNA)
where:
Base-Base interactions energy: -89.380
where: short stacking energy: -59.515
Base-Backbone interact. energy: -0.271
local terms energy: -116.618599
where:
bonds (distance) C4'-P energy: -44.052
bonds (distance) P-C4' energy: -39.508
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -15.248
tors. eta vs tors. theta energy: -2.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -178.052749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.052749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.052749 (E_RNA)
where:
Base-Base interactions energy: -63.603
where: short stacking energy: -52.295
Base-Backbone interact. energy: -0.005
local terms energy: -114.444147
where:
bonds (distance) C4'-P energy: -34.437
bonds (distance) P-C4' energy: -30.582
flat angles C4'-P-C4' energy: -31.780
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -5.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -657.255144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.255144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.255144 (E_RNA)
where:
Base-Base interactions energy: -434.350
where: short stacking energy: -197.617
Base-Backbone interact. energy: -0.072
local terms energy: -222.832628
where:
bonds (distance) C4'-P energy: -39.492
bonds (distance) P-C4' energy: -43.706
flat angles C4'-P-C4' energy: -44.130
flat angles P-C4'-P energy: -33.041
tors. eta vs tors. theta energy: -62.463
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: 7
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -655.837847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.837847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.837847 (E_RNA)
where:
Base-Base interactions energy: -444.828
where: short stacking energy: -204.917
Base-Backbone interact. energy: 2.021
local terms energy: -213.030284
where:
bonds (distance) C4'-P energy: -32.955
bonds (distance) P-C4' energy: -43.862
flat angles C4'-P-C4' energy: -44.740
flat angles P-C4'-P energy: -29.286
tors. eta vs tors. theta energy: -62.186
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: 1
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -579.202644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.202644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.202644 (E_RNA)
where:
Base-Base interactions energy: -392.898
where: short stacking energy: -165.830
Base-Backbone interact. energy: -1.064
local terms energy: -185.239778
where:
bonds (distance) C4'-P energy: -40.670
bonds (distance) P-C4' energy: -30.209
flat angles C4'-P-C4' energy: -45.699
flat angles P-C4'-P energy: -27.358
tors. eta vs tors. theta energy: -41.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -532.610266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.610266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.610266 (E_RNA)
where:
Base-Base interactions energy: -342.419
where: short stacking energy: -158.538
Base-Backbone interact. energy: -0.119
local terms energy: -190.072243
where:
bonds (distance) C4'-P energy: -32.852
bonds (distance) P-C4' energy: -38.017
flat angles C4'-P-C4' energy: -44.122
flat angles P-C4'-P energy: -24.283
tors. eta vs tors. theta energy: -50.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -404.813363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.813363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.813363 (E_RNA)
where:
Base-Base interactions energy: -226.729
where: short stacking energy: -124.138
Base-Backbone interact. energy: -0.480
local terms energy: -177.604336
where:
bonds (distance) C4'-P energy: -33.598
bonds (distance) P-C4' energy: -40.291
flat angles C4'-P-C4' energy: -42.579
flat angles P-C4'-P energy: -21.831
tors. eta vs tors. theta energy: -39.305
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: 81
Temperature: 1.150000
Total energy: -400.647551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.647551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.647551 (E_RNA)
where:
Base-Base interactions energy: -231.589
where: short stacking energy: -109.134
Base-Backbone interact. energy: -1.081
local terms energy: -167.977566
where:
bonds (distance) C4'-P energy: -34.818
bonds (distance) P-C4' energy: -37.267
flat angles C4'-P-C4' energy: -38.651
flat angles P-C4'-P energy: -25.519
tors. eta vs tors. theta energy: -31.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -309.516319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.516319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.516319 (E_RNA)
where:
Base-Base interactions energy: -162.056
where: short stacking energy: -89.555
Base-Backbone interact. energy: 1.131
local terms energy: -148.591406
where:
bonds (distance) C4'-P energy: -40.287
bonds (distance) P-C4' energy: -33.670
flat angles C4'-P-C4' energy: -29.294
flat angles P-C4'-P energy: -25.317
tors. eta vs tors. theta energy: -20.023
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: 8, replica: 9
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -233.768630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.768630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.768630 (E_RNA)
where:
Base-Base interactions energy: -106.881
where: short stacking energy: -67.586
Base-Backbone interact. energy: 1.803
local terms energy: -128.691129
where:
bonds (distance) C4'-P energy: -29.295
bonds (distance) P-C4' energy: -39.167
flat angles C4'-P-C4' energy: -34.778
flat angles P-C4'-P energy: -15.913
tors. eta vs tors. theta energy: -9.539
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: 9, replica: 8
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -187.441405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.441405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.441405 (E_RNA)
where:
Base-Base interactions energy: -79.011
where: short stacking energy: -61.522
Base-Backbone interact. energy: -1.484
local terms energy: -106.946277
where:
bonds (distance) C4'-P energy: -32.958
bonds (distance) P-C4' energy: -38.293
flat angles C4'-P-C4' energy: -32.128
flat angles P-C4'-P energy: -15.165
tors. eta vs tors. theta energy: 11.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -175.186616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.186616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.186616 (E_RNA)
where:
Base-Base interactions energy: -55.411
where: short stacking energy: -52.475
Base-Backbone interact. energy: -0.754
local terms energy: -119.021339
where:
bonds (distance) C4'-P energy: -40.669
bonds (distance) P-C4' energy: -37.246
flat angles C4'-P-C4' energy: -35.682
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: 6.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -657.112498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.112498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.112498 (E_RNA)
where:
Base-Base interactions energy: -436.898
where: short stacking energy: -196.021
Base-Backbone interact. energy: -0.591
local terms energy: -219.622982
where:
bonds (distance) C4'-P energy: -36.261
bonds (distance) P-C4' energy: -41.801
flat angles C4'-P-C4' energy: -44.549
flat angles P-C4'-P energy: -28.822
tors. eta vs tors. theta energy: -68.189
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: 5
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -632.153527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.153527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.153527 (E_RNA)
where:
Base-Base interactions energy: -422.948
where: short stacking energy: -189.297
Base-Backbone interact. energy: -0.214
local terms energy: -208.991997
where:
bonds (distance) C4'-P energy: -37.471
bonds (distance) P-C4' energy: -40.214
flat angles C4'-P-C4' energy: -43.019
flat angles P-C4'-P energy: -26.738
tors. eta vs tors. theta energy: -61.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -572.392559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.392559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.392559 (E_RNA)
where:
Base-Base interactions energy: -392.573
where: short stacking energy: -168.491
Base-Backbone interact. energy: -1.558
local terms energy: -178.261174
where:
bonds (distance) C4'-P energy: -32.242
bonds (distance) P-C4' energy: -43.070
flat angles C4'-P-C4' energy: -33.741
flat angles P-C4'-P energy: -24.609
tors. eta vs tors. theta energy: -44.599
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: 4
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -558.422848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.422848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.422848 (E_RNA)
where:
Base-Base interactions energy: -355.423
where: short stacking energy: -172.545
Base-Backbone interact. energy: -1.200
local terms energy: -201.800213
where:
bonds (distance) C4'-P energy: -43.301
bonds (distance) P-C4' energy: -35.877
flat angles C4'-P-C4' energy: -42.316
flat angles P-C4'-P energy: -25.181
tors. eta vs tors. theta energy: -55.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -385.016905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.016905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.016905 (E_RNA)
where:
Base-Base interactions energy: -220.342
where: short stacking energy: -113.373
Base-Backbone interact. energy: -1.012
local terms energy: -163.662533
where:
bonds (distance) C4'-P energy: -27.059
bonds (distance) P-C4' energy: -39.036
flat angles C4'-P-C4' energy: -41.593
flat angles P-C4'-P energy: -28.220
tors. eta vs tors. theta energy: -27.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -384.183365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.183365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.183365 (E_RNA)
where:
Base-Base interactions energy: -244.803
where: short stacking energy: -110.168
Base-Backbone interact. energy: -1.156
local terms energy: -138.224461
where:
bonds (distance) C4'-P energy: -36.318
bonds (distance) P-C4' energy: -43.065
flat angles C4'-P-C4' energy: -29.354
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -23.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -318.244434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.244434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.244434 (E_RNA)
where:
Base-Base interactions energy: -180.837
where: short stacking energy: -89.758
Base-Backbone interact. energy: -0.509
local terms energy: -136.898477
where:
bonds (distance) C4'-P energy: -33.412
bonds (distance) P-C4' energy: -40.077
flat angles C4'-P-C4' energy: -30.166
flat angles P-C4'-P energy: -20.125
tors. eta vs tors. theta energy: -13.118
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: 9
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -239.561049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.561049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.561049 (E_RNA)
where:
Base-Base interactions energy: -114.706
where: short stacking energy: -69.300
Base-Backbone interact. energy: -1.846
local terms energy: -123.009231
where:
bonds (distance) C4'-P energy: -32.127
bonds (distance) P-C4' energy: -34.578
flat angles C4'-P-C4' energy: -27.134
flat angles P-C4'-P energy: -22.426
tors. eta vs tors. theta energy: -6.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -175.944188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.944188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.944188 (E_RNA)
where:
Base-Base interactions energy: -60.731
where: short stacking energy: -53.069
Base-Backbone interact. energy: 1.696
local terms energy: -116.908534
where:
bonds (distance) C4'-P energy: -34.020
bonds (distance) P-C4' energy: -29.956
flat angles C4'-P-C4' energy: -33.130
flat angles P-C4'-P energy: -22.463
tors. eta vs tors. theta energy: 2.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -164.397888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.397888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.397888 (E_RNA)
where:
Base-Base interactions energy: -54.638
where: short stacking energy: -34.196
Base-Backbone interact. energy: -0.775
local terms energy: -108.984740
where:
bonds (distance) C4'-P energy: -36.124
bonds (distance) P-C4' energy: -39.751
flat angles C4'-P-C4' energy: -25.245
flat angles P-C4'-P energy: -15.820
tors. eta vs tors. theta energy: 7.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -655.093348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.093348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.093348 (E_RNA)
where:
Base-Base interactions energy: -428.182
where: short stacking energy: -196.496
Base-Backbone interact. energy: -0.712
local terms energy: -226.199731
where:
bonds (distance) C4'-P energy: -42.141
bonds (distance) P-C4' energy: -46.149
flat angles C4'-P-C4' energy: -40.015
flat angles P-C4'-P energy: -35.444
tors. eta vs tors. theta energy: -62.451
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: 2, replica: 5
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -635.045110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.045110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.045110 (E_RNA)
where:
Base-Base interactions energy: -422.214
where: short stacking energy: -180.121
Base-Backbone interact. energy: -1.721
local terms energy: -211.110157
where:
bonds (distance) C4'-P energy: -38.628
bonds (distance) P-C4' energy: -48.362
flat angles C4'-P-C4' energy: -34.017
flat angles P-C4'-P energy: -31.862
tors. eta vs tors. theta energy: -58.241
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: 3, replica: 1
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -554.915256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.915256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.915256 (E_RNA)
where:
Base-Base interactions energy: -360.438
where: short stacking energy: -154.836
Base-Backbone interact. energy: -1.397
local terms energy: -193.080166
where:
bonds (distance) C4'-P energy: -38.233
bonds (distance) P-C4' energy: -45.147
flat angles C4'-P-C4' energy: -39.279
flat angles P-C4'-P energy: -28.201
tors. eta vs tors. theta energy: -42.221
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: 83
Temperature: 1.050000
Total energy: -542.939599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.939599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.939599 (E_RNA)
where:
Base-Base interactions energy: -363.771
where: short stacking energy: -156.571
Base-Backbone interact. energy: 2.523
local terms energy: -181.691613
where:
bonds (distance) C4'-P energy: -34.014
bonds (distance) P-C4' energy: -39.094
flat angles C4'-P-C4' energy: -37.275
flat angles P-C4'-P energy: -19.905
tors. eta vs tors. theta energy: -51.405
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: 83
Temperature: 1.100000
Total energy: -399.668549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.668549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.668549 (E_RNA)
where:
Base-Base interactions energy: -228.113
where: short stacking energy: -118.577
Base-Backbone interact. energy: -0.564
local terms energy: -170.992079
where:
bonds (distance) C4'-P energy: -39.023
bonds (distance) P-C4' energy: -38.498
flat angles C4'-P-C4' energy: -37.529
flat angles P-C4'-P energy: -33.700
tors. eta vs tors. theta energy: -22.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -422.889666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.889666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.889666 (E_RNA)
where:
Base-Base interactions energy: -265.143
where: short stacking energy: -124.314
Base-Backbone interact. energy: -1.419
local terms energy: -156.327619
where:
bonds (distance) C4'-P energy: -28.288
bonds (distance) P-C4' energy: -30.519
flat angles C4'-P-C4' energy: -40.227
flat angles P-C4'-P energy: -24.934
tors. eta vs tors. theta energy: -32.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -302.153443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.153443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.153443 (E_RNA)
where:
Base-Base interactions energy: -160.988
where: short stacking energy: -73.665
Base-Backbone interact. energy: -0.447
local terms energy: -140.718832
where:
bonds (distance) C4'-P energy: -28.731
bonds (distance) P-C4' energy: -34.597
flat angles C4'-P-C4' energy: -35.966
flat angles P-C4'-P energy: -28.963
tors. eta vs tors. theta energy: -12.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -222.660871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.660871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.660871 (E_RNA)
where:
Base-Base interactions energy: -112.583
where: short stacking energy: -77.816
Base-Backbone interact. energy: -0.954
local terms energy: -109.123373
where:
bonds (distance) C4'-P energy: -28.830
bonds (distance) P-C4' energy: -34.746
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -18.925
tors. eta vs tors. theta energy: -9.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -175.920798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.920798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.920798 (E_RNA)
where:
Base-Base interactions energy: -73.291
where: short stacking energy: -36.455
Base-Backbone interact. energy: -0.471
local terms energy: -102.159146
where:
bonds (distance) C4'-P energy: -34.408
bonds (distance) P-C4' energy: -29.362
flat angles C4'-P-C4' energy: -26.890
flat angles P-C4'-P energy: -24.178
tors. eta vs tors. theta energy: 12.678
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: 8
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -167.554441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.554441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.554441 (E_RNA)
where:
Base-Base interactions energy: -56.914
where: short stacking energy: -46.590
Base-Backbone interact. energy: -0.422
local terms energy: -110.218756
where:
bonds (distance) C4'-P energy: -31.983
bonds (distance) P-C4' energy: -30.312
flat angles C4'-P-C4' energy: -31.627
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -6.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -647.421820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.421820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.421820 (E_RNA)
where:
Base-Base interactions energy: -447.773
where: short stacking energy: -184.755
Base-Backbone interact. energy: 2.469
local terms energy: -202.117995
where:
bonds (distance) C4'-P energy: -36.489
bonds (distance) P-C4' energy: -35.306
flat angles C4'-P-C4' energy: -47.029
flat angles P-C4'-P energy: -34.543
tors. eta vs tors. theta energy: -48.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -632.260678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.260678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.260678 (E_RNA)
where:
Base-Base interactions energy: -420.620
where: short stacking energy: -201.803
Base-Backbone interact. energy: -0.462
local terms energy: -211.178465
where:
bonds (distance) C4'-P energy: -34.670
bonds (distance) P-C4' energy: -40.972
flat angles C4'-P-C4' energy: -41.700
flat angles P-C4'-P energy: -31.368
tors. eta vs tors. theta energy: -62.469
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: 84
Temperature: 1.000000
Total energy: -554.619844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.619844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.619844 (E_RNA)
where:
Base-Base interactions energy: -363.522
where: short stacking energy: -155.897
Base-Backbone interact. energy: -2.986
local terms energy: -188.112636
where:
bonds (distance) C4'-P energy: -38.594
bonds (distance) P-C4' energy: -42.129
flat angles C4'-P-C4' energy: -41.252
flat angles P-C4'-P energy: -27.890
tors. eta vs tors. theta energy: -38.249
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: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -538.383350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.383350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.383350 (E_RNA)
where:
Base-Base interactions energy: -338.906
where: short stacking energy: -181.817
Base-Backbone interact. energy: -0.201
local terms energy: -199.276524
where:
bonds (distance) C4'-P energy: -37.097
bonds (distance) P-C4' energy: -38.471
flat angles C4'-P-C4' energy: -40.747
flat angles P-C4'-P energy: -28.569
tors. eta vs tors. theta energy: -54.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -458.109410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.109410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.109410 (E_RNA)
where:
Base-Base interactions energy: -276.111
where: short stacking energy: -141.601
Base-Backbone interact. energy: -0.201
local terms energy: -181.797510
where:
bonds (distance) C4'-P energy: -32.412
bonds (distance) P-C4' energy: -42.097
flat angles C4'-P-C4' energy: -39.662
flat angles P-C4'-P energy: -29.561
tors. eta vs tors. theta energy: -38.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -434.215962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.215962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.215962 (E_RNA)
where:
Base-Base interactions energy: -268.488
where: short stacking energy: -111.540
Base-Backbone interact. energy: 0.292
local terms energy: -166.020053
where:
bonds (distance) C4'-P energy: -38.141
bonds (distance) P-C4' energy: -46.215
flat angles C4'-P-C4' energy: -26.599
flat angles P-C4'-P energy: -25.073
tors. eta vs tors. theta energy: -29.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -277.116416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.116416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.116416 (E_RNA)
where:
Base-Base interactions energy: -148.824
where: short stacking energy: -73.057
Base-Backbone interact. energy: -1.012
local terms energy: -127.280668
where:
bonds (distance) C4'-P energy: -33.282
bonds (distance) P-C4' energy: -40.509
flat angles C4'-P-C4' energy: -29.199
flat angles P-C4'-P energy: -15.968
tors. eta vs tors. theta energy: -8.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -192.899427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.899427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.899427 (E_RNA)
where:
Base-Base interactions energy: -56.711
where: short stacking energy: -48.929
Base-Backbone interact. energy: -0.822
local terms energy: -135.366105
where:
bonds (distance) C4'-P energy: -38.278
bonds (distance) P-C4' energy: -35.523
flat angles C4'-P-C4' energy: -44.375
flat angles P-C4'-P energy: -17.833
tors. eta vs tors. theta energy: 0.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -169.121961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.121961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.121961 (E_RNA)
where:
Base-Base interactions energy: -55.061
where: short stacking energy: -43.500
Base-Backbone interact. energy: 3.331
local terms energy: -117.391583
where:
bonds (distance) C4'-P energy: -35.500
bonds (distance) P-C4' energy: -39.617
flat angles C4'-P-C4' energy: -25.962
flat angles P-C4'-P energy: -17.655
tors. eta vs tors. theta energy: 1.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -171.229525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.229525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.229525 (E_RNA)
where:
Base-Base interactions energy: -57.593
where: short stacking energy: -44.056
Base-Backbone interact. energy: -0.385
local terms energy: -113.251648
where:
bonds (distance) C4'-P energy: -31.855
bonds (distance) P-C4' energy: -34.483
flat angles C4'-P-C4' energy: -33.687
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -0.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -640.193499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.193499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.193499 (E_RNA)
where:
Base-Base interactions energy: -431.391
where: short stacking energy: -171.571
Base-Backbone interact. energy: -0.437
local terms energy: -208.365388
where:
bonds (distance) C4'-P energy: -36.154
bonds (distance) P-C4' energy: -45.858
flat angles C4'-P-C4' energy: -45.245
flat angles P-C4'-P energy: -27.286
tors. eta vs tors. theta energy: -53.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -647.815607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.815607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.815607 (E_RNA)
where:
Base-Base interactions energy: -429.232
where: short stacking energy: -186.995
Base-Backbone interact. energy: -1.023
local terms energy: -217.560951
where:
bonds (distance) C4'-P energy: -46.082
bonds (distance) P-C4' energy: -44.934
flat angles C4'-P-C4' energy: -38.615
flat angles P-C4'-P energy: -27.390
tors. eta vs tors. theta energy: -60.540
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: 85
Temperature: 1.000000
Total energy: -556.314603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.314603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.314603 (E_RNA)
where:
Base-Base interactions energy: -365.491
where: short stacking energy: -152.671
Base-Backbone interact. energy: 0.270
local terms energy: -191.093820
where:
bonds (distance) C4'-P energy: -36.369
bonds (distance) P-C4' energy: -42.948
flat angles C4'-P-C4' energy: -46.781
flat angles P-C4'-P energy: -27.663
tors. eta vs tors. theta energy: -37.332
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: 85
Temperature: 1.050000
Total energy: -544.225563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.225563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.225563 (E_RNA)
where:
Base-Base interactions energy: -354.608
where: short stacking energy: -165.086
Base-Backbone interact. energy: -0.336
local terms energy: -189.282439
where:
bonds (distance) C4'-P energy: -34.347
bonds (distance) P-C4' energy: -37.080
flat angles C4'-P-C4' energy: -42.463
flat angles P-C4'-P energy: -24.268
tors. eta vs tors. theta energy: -51.124
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: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -438.014681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.014681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.014681 (E_RNA)
where:
Base-Base interactions energy: -265.875
where: short stacking energy: -125.538
Base-Backbone interact. energy: -0.543
local terms energy: -171.597099
where:
bonds (distance) C4'-P energy: -34.810
bonds (distance) P-C4' energy: -39.947
flat angles C4'-P-C4' energy: -39.894
flat angles P-C4'-P energy: -27.117
tors. eta vs tors. theta energy: -29.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -390.080103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.080103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.080103 (E_RNA)
where:
Base-Base interactions energy: -234.238
where: short stacking energy: -123.293
Base-Backbone interact. energy: -1.010
local terms energy: -154.832181
where:
bonds (distance) C4'-P energy: -35.260
bonds (distance) P-C4' energy: -40.814
flat angles C4'-P-C4' energy: -29.858
flat angles P-C4'-P energy: -26.186
tors. eta vs tors. theta energy: -22.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -290.292721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.292721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.292721 (E_RNA)
where:
Base-Base interactions energy: -157.806
where: short stacking energy: -87.273
Base-Backbone interact. energy: 0.209
local terms energy: -132.695627
where:
bonds (distance) C4'-P energy: -29.905
bonds (distance) P-C4' energy: -37.334
flat angles C4'-P-C4' energy: -35.581
flat angles P-C4'-P energy: -18.906
tors. eta vs tors. theta energy: -10.970
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: 9
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -217.217151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.217151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.217151 (E_RNA)
where:
Base-Base interactions energy: -83.923
where: short stacking energy: -68.396
Base-Backbone interact. energy: -1.760
local terms energy: -131.534645
where:
bonds (distance) C4'-P energy: -40.986
bonds (distance) P-C4' energy: -29.144
flat angles C4'-P-C4' energy: -32.208
flat angles P-C4'-P energy: -18.875
tors. eta vs tors. theta energy: -10.322
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: 9, replica: 8
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -185.186637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.186637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.186637 (E_RNA)
where:
Base-Base interactions energy: -57.946
where: short stacking energy: -42.771
Base-Backbone interact. energy: -0.804
local terms energy: -126.437032
where:
bonds (distance) C4'-P energy: -39.090
bonds (distance) P-C4' energy: -35.147
flat angles C4'-P-C4' energy: -31.799
flat angles P-C4'-P energy: -22.732
tors. eta vs tors. theta energy: 2.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -171.313249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.313249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.313249 (E_RNA)
where:
Base-Base interactions energy: -59.131
where: short stacking energy: -45.066
Base-Backbone interact. energy: 1.457
local terms energy: -113.639967
where:
bonds (distance) C4'-P energy: -40.227
bonds (distance) P-C4' energy: -36.208
flat angles C4'-P-C4' energy: -23.628
flat angles P-C4'-P energy: -19.589
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: 7
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -662.041613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.041613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.041613 (E_RNA)
where:
Base-Base interactions energy: -440.604
where: short stacking energy: -198.876
Base-Backbone interact. energy: -0.147
local terms energy: -221.289928
where:
bonds (distance) C4'-P energy: -39.450
bonds (distance) P-C4' energy: -42.484
flat angles C4'-P-C4' energy: -43.949
flat angles P-C4'-P energy: -34.623
tors. eta vs tors. theta energy: -60.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -621.975890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.975890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.975890 (E_RNA)
where:
Base-Base interactions energy: -416.016
where: short stacking energy: -176.648
Base-Backbone interact. energy: -1.125
local terms energy: -204.835157
where:
bonds (distance) C4'-P energy: -39.999
bonds (distance) P-C4' energy: -41.316
flat angles C4'-P-C4' energy: -41.643
flat angles P-C4'-P energy: -30.274
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: 3, replica: 4
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -568.759549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.759549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.759549 (E_RNA)
where:
Base-Base interactions energy: -367.930
where: short stacking energy: -178.899
Base-Backbone interact. energy: 0.084
local terms energy: -200.913228
where:
bonds (distance) C4'-P energy: -35.367
bonds (distance) P-C4' energy: -36.952
flat angles C4'-P-C4' energy: -42.415
flat angles P-C4'-P energy: -27.378
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: 4, replica: 1
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -542.335120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.335120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.335120 (E_RNA)
where:
Base-Base interactions energy: -361.040
where: short stacking energy: -146.752
Base-Backbone interact. energy: -0.855
local terms energy: -180.440361
where:
bonds (distance) C4'-P energy: -39.397
bonds (distance) P-C4' energy: -34.416
flat angles C4'-P-C4' energy: -38.516
flat angles P-C4'-P energy: -27.302
tors. eta vs tors. theta energy: -40.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -451.720502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.720502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.720502 (E_RNA)
where:
Base-Base interactions energy: -282.358
where: short stacking energy: -120.812
Base-Backbone interact. energy: -1.231
local terms energy: -168.131558
where:
bonds (distance) C4'-P energy: -41.101
bonds (distance) P-C4' energy: -32.075
flat angles C4'-P-C4' energy: -36.490
flat angles P-C4'-P energy: -28.137
tors. eta vs tors. theta energy: -30.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -394.378373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.378373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.378373 (E_RNA)
where:
Base-Base interactions energy: -227.633
where: short stacking energy: -116.188
Base-Backbone interact. energy: -0.407
local terms energy: -166.338565
where:
bonds (distance) C4'-P energy: -32.991
bonds (distance) P-C4' energy: -35.891
flat angles C4'-P-C4' energy: -44.796
flat angles P-C4'-P energy: -23.702
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: 7, replica: 6
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -302.591061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.591061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.591061 (E_RNA)
where:
Base-Base interactions energy: -155.119
where: short stacking energy: -81.182
Base-Backbone interact. energy: -0.482
local terms energy: -146.989655
where:
bonds (distance) C4'-P energy: -35.387
bonds (distance) P-C4' energy: -34.732
flat angles C4'-P-C4' energy: -39.376
flat angles P-C4'-P energy: -23.764
tors. eta vs tors. theta energy: -13.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -196.066971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.066971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.066971 (E_RNA)
where:
Base-Base interactions energy: -67.385
where: short stacking energy: -59.293
Base-Backbone interact. energy: 1.647
local terms energy: -130.328934
where:
bonds (distance) C4'-P energy: -35.554
bonds (distance) P-C4' energy: -37.847
flat angles C4'-P-C4' energy: -28.415
flat angles P-C4'-P energy: -22.194
tors. eta vs tors. theta energy: -6.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -184.942263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.942263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.942263 (E_RNA)
where:
Base-Base interactions energy: -47.276
where: short stacking energy: -45.130
Base-Backbone interact. energy: -3.276
local terms energy: -134.390922
where:
bonds (distance) C4'-P energy: -26.424
bonds (distance) P-C4' energy: -44.634
flat angles C4'-P-C4' energy: -36.638
flat angles P-C4'-P energy: -21.672
tors. eta vs tors. theta energy: -5.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -163.240548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.240548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.240548 (E_RNA)
where:
Base-Base interactions energy: -44.002
where: short stacking energy: -39.283
Base-Backbone interact. energy: -0.889
local terms energy: -118.349682
where:
bonds (distance) C4'-P energy: -39.469
bonds (distance) P-C4' energy: -40.824
flat angles C4'-P-C4' energy: -27.434
flat angles P-C4'-P energy: -17.216
tors. eta vs tors. theta energy: 6.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -665.859917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.859917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.859917 (E_RNA)
where:
Base-Base interactions energy: -454.360
where: short stacking energy: -218.431
Base-Backbone interact. energy: 0.167
local terms energy: -211.666983
where:
bonds (distance) C4'-P energy: -32.040
bonds (distance) P-C4' energy: -34.247
flat angles C4'-P-C4' energy: -47.638
flat angles P-C4'-P energy: -31.195
tors. eta vs tors. theta energy: -66.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -619.575678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.575678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.575678 (E_RNA)
where:
Base-Base interactions energy: -425.119
where: short stacking energy: -180.851
Base-Backbone interact. energy: 2.390
local terms energy: -196.847588
where:
bonds (distance) C4'-P energy: -32.368
bonds (distance) P-C4' energy: -44.739
flat angles C4'-P-C4' energy: -38.323
flat angles P-C4'-P energy: -24.659
tors. eta vs tors. theta energy: -56.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -583.513488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.513488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.513488 (E_RNA)
where:
Base-Base interactions energy: -375.831
where: short stacking energy: -186.573
Base-Backbone interact. energy: -0.312
local terms energy: -207.370360
where:
bonds (distance) C4'-P energy: -39.694
bonds (distance) P-C4' energy: -34.026
flat angles C4'-P-C4' energy: -46.547
flat angles P-C4'-P energy: -28.218
tors. eta vs tors. theta energy: -58.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -541.236335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.236335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.236335 (E_RNA)
where:
Base-Base interactions energy: -363.728
where: short stacking energy: -151.007
Base-Backbone interact. energy: -2.199
local terms energy: -175.308996
where:
bonds (distance) C4'-P energy: -34.927
bonds (distance) P-C4' energy: -34.716
flat angles C4'-P-C4' energy: -40.102
flat angles P-C4'-P energy: -31.482
tors. eta vs tors. theta energy: -34.083
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: 5, replica: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -416.891604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.891604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.891604 (E_RNA)
where:
Base-Base interactions energy: -258.287
where: short stacking energy: -118.375
Base-Backbone interact. energy: -0.292
local terms energy: -158.313365
where:
bonds (distance) C4'-P energy: -33.826
bonds (distance) P-C4' energy: -37.441
flat angles C4'-P-C4' energy: -40.734
flat angles P-C4'-P energy: -18.087
tors. eta vs tors. theta energy: -28.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -395.263816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.263816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.263816 (E_RNA)
where:
Base-Base interactions energy: -239.880
where: short stacking energy: -106.486
Base-Backbone interact. energy: -0.451
local terms energy: -154.933102
where:
bonds (distance) C4'-P energy: -35.748
bonds (distance) P-C4' energy: -37.744
flat angles C4'-P-C4' energy: -34.217
flat angles P-C4'-P energy: -17.330
tors. eta vs tors. theta energy: -29.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -272.475976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.475976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.475976 (E_RNA)
where:
Base-Base interactions energy: -139.220
where: short stacking energy: -70.608
Base-Backbone interact. energy: -0.498
local terms energy: -132.758009
where:
bonds (distance) C4'-P energy: -33.854
bonds (distance) P-C4' energy: -36.238
flat angles C4'-P-C4' energy: -32.527
flat angles P-C4'-P energy: -24.492
tors. eta vs tors. theta energy: -5.647
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: 87
Temperature: 1.250000
Total energy: -195.580380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.580380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.580380 (E_RNA)
where:
Base-Base interactions energy: -69.485
where: short stacking energy: -57.423
Base-Backbone interact. energy: -1.363
local terms energy: -124.732227
where:
bonds (distance) C4'-P energy: -39.187
bonds (distance) P-C4' energy: -37.504
flat angles C4'-P-C4' energy: -30.907
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -4.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -184.237823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.237823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.237823 (E_RNA)
where:
Base-Base interactions energy: -65.927
where: short stacking energy: -40.884
Base-Backbone interact. energy: 0.390
local terms energy: -118.701073
where:
bonds (distance) C4'-P energy: -34.259
bonds (distance) P-C4' energy: -38.139
flat angles C4'-P-C4' energy: -32.469
flat angles P-C4'-P energy: -17.237
tors. eta vs tors. theta energy: 3.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -167.383548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.383548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.383548 (E_RNA)
where:
Base-Base interactions energy: -58.083
where: short stacking energy: -48.681
Base-Backbone interact. energy: -0.215
local terms energy: -109.085596
where:
bonds (distance) C4'-P energy: -38.225
bonds (distance) P-C4' energy: -31.484
flat angles C4'-P-C4' energy: -19.705
flat angles P-C4'-P energy: -24.697
tors. eta vs tors. theta energy: 5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -672.211069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.211069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.211069 (E_RNA)
where:
Base-Base interactions energy: -445.094
where: short stacking energy: -200.618
Base-Backbone interact. energy: -0.844
local terms energy: -226.273228
where:
bonds (distance) C4'-P energy: -44.923
bonds (distance) P-C4' energy: -42.958
flat angles C4'-P-C4' energy: -40.983
flat angles P-C4'-P energy: -32.559
tors. eta vs tors. theta energy: -64.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -623.391579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.391579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.391579 (E_RNA)
where:
Base-Base interactions energy: -410.093
where: short stacking energy: -177.954
Base-Backbone interact. energy: -1.532
local terms energy: -211.766738
where:
bonds (distance) C4'-P energy: -40.641
bonds (distance) P-C4' energy: -40.243
flat angles C4'-P-C4' energy: -47.121
flat angles P-C4'-P energy: -31.453
tors. eta vs tors. theta energy: -52.309
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: 4
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -596.100873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.100873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.100873 (E_RNA)
where:
Base-Base interactions energy: -388.836
where: short stacking energy: -185.269
Base-Backbone interact. energy: -0.878
local terms energy: -206.386679
where:
bonds (distance) C4'-P energy: -40.012
bonds (distance) P-C4' energy: -35.123
flat angles C4'-P-C4' energy: -40.754
flat angles P-C4'-P energy: -28.901
tors. eta vs tors. theta energy: -61.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -524.232108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.232108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.232108 (E_RNA)
where:
Base-Base interactions energy: -346.353
where: short stacking energy: -156.496
Base-Backbone interact. energy: -0.669
local terms energy: -177.210316
where:
bonds (distance) C4'-P energy: -23.722
bonds (distance) P-C4' energy: -48.526
flat angles C4'-P-C4' energy: -40.652
flat angles P-C4'-P energy: -26.819
tors. eta vs tors. theta energy: -37.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -439.972584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.972584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.972584 (E_RNA)
where:
Base-Base interactions energy: -266.741
where: short stacking energy: -126.993
Base-Backbone interact. energy: 0.616
local terms energy: -173.847575
where:
bonds (distance) C4'-P energy: -40.220
bonds (distance) P-C4' energy: -35.022
flat angles C4'-P-C4' energy: -37.407
flat angles P-C4'-P energy: -25.537
tors. eta vs tors. theta energy: -35.661
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: 3
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -397.882943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.882943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.882943 (E_RNA)
where:
Base-Base interactions energy: -234.077
where: short stacking energy: -114.021
Base-Backbone interact. energy: -0.404
local terms energy: -163.402444
where:
bonds (distance) C4'-P energy: -32.113
bonds (distance) P-C4' energy: -31.146
flat angles C4'-P-C4' energy: -42.313
flat angles P-C4'-P energy: -24.556
tors. eta vs tors. theta energy: -33.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -300.650405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.650405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.650405 (E_RNA)
where:
Base-Base interactions energy: -175.733
where: short stacking energy: -87.293
Base-Backbone interact. energy: -0.710
local terms energy: -124.207148
where:
bonds (distance) C4'-P energy: -31.129
bonds (distance) P-C4' energy: -43.059
flat angles C4'-P-C4' energy: -28.202
flat angles P-C4'-P energy: -13.450
tors. eta vs tors. theta energy: -8.366
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: 88
Temperature: 1.250000
Total energy: -215.847620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.847620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.847620 (E_RNA)
where:
Base-Base interactions energy: -76.703
where: short stacking energy: -63.454
Base-Backbone interact. energy: 0.334
local terms energy: -139.477775
where:
bonds (distance) C4'-P energy: -35.631
bonds (distance) P-C4' energy: -38.924
flat angles C4'-P-C4' energy: -35.892
flat angles P-C4'-P energy: -18.115
tors. eta vs tors. theta energy: -10.917
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: 9
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -178.316632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.316632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.316632 (E_RNA)
where:
Base-Base interactions energy: -57.067
where: short stacking energy: -55.416
Base-Backbone interact. energy: -1.319
local terms energy: -119.931383
where:
bonds (distance) C4'-P energy: -30.421
bonds (distance) P-C4' energy: -41.429
flat angles C4'-P-C4' energy: -27.385
flat angles P-C4'-P energy: -21.763
tors. eta vs tors. theta energy: 1.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -166.719275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.719275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.719275 (E_RNA)
where:
Base-Base interactions energy: -39.157
where: short stacking energy: -38.798
Base-Backbone interact. energy: 0.711
local terms energy: -128.272893
where:
bonds (distance) C4'-P energy: -35.456
bonds (distance) P-C4' energy: -34.635
flat angles C4'-P-C4' energy: -37.607
flat angles P-C4'-P energy: -18.562
tors. eta vs tors. theta energy: -2.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -657.024985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.024985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.024985 (E_RNA)
where:
Base-Base interactions energy: -442.701
where: short stacking energy: -200.928
Base-Backbone interact. energy: -1.976
local terms energy: -212.348057
where:
bonds (distance) C4'-P energy: -39.354
bonds (distance) P-C4' energy: -35.464
flat angles C4'-P-C4' energy: -42.785
flat angles P-C4'-P energy: -33.796
tors. eta vs tors. theta energy: -60.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -618.497515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.497515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.497515 (E_RNA)
where:
Base-Base interactions energy: -411.086
where: short stacking energy: -182.761
Base-Backbone interact. energy: -0.925
local terms energy: -206.486836
where:
bonds (distance) C4'-P energy: -33.575
bonds (distance) P-C4' energy: -41.940
flat angles C4'-P-C4' energy: -43.046
flat angles P-C4'-P energy: -29.755
tors. eta vs tors. theta energy: -58.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -596.781059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.781059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.781059 (E_RNA)
where:
Base-Base interactions energy: -376.866
where: short stacking energy: -181.231
Base-Backbone interact. energy: -0.162
local terms energy: -219.752819
where:
bonds (distance) C4'-P energy: -37.542
bonds (distance) P-C4' energy: -44.163
flat angles C4'-P-C4' energy: -46.567
flat angles P-C4'-P energy: -33.054
tors. eta vs tors. theta energy: -58.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -543.052005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.052005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.052005 (E_RNA)
where:
Base-Base interactions energy: -353.620
where: short stacking energy: -158.720
Base-Backbone interact. energy: -1.027
local terms energy: -188.405448
where:
bonds (distance) C4'-P energy: -35.594
bonds (distance) P-C4' energy: -41.135
flat angles C4'-P-C4' energy: -40.850
flat angles P-C4'-P energy: -29.422
tors. eta vs tors. theta energy: -41.404
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: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -454.379696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.379696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.379696 (E_RNA)
where:
Base-Base interactions energy: -285.215
where: short stacking energy: -129.330
Base-Backbone interact. energy: -0.556
local terms energy: -168.608172
where:
bonds (distance) C4'-P energy: -37.950
bonds (distance) P-C4' energy: -34.869
flat angles C4'-P-C4' energy: -34.304
flat angles P-C4'-P energy: -25.473
tors. eta vs tors. theta energy: -36.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -399.002976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.002976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.002976 (E_RNA)
where:
Base-Base interactions energy: -238.014
where: short stacking energy: -121.625
Base-Backbone interact. energy: -0.523
local terms energy: -160.465952
where:
bonds (distance) C4'-P energy: -32.911
bonds (distance) P-C4' energy: -37.926
flat angles C4'-P-C4' energy: -34.113
flat angles P-C4'-P energy: -20.664
tors. eta vs tors. theta energy: -34.852
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: 7, replica: 6
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -344.428991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.428991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.428991 (E_RNA)
where:
Base-Base interactions energy: -195.603
where: short stacking energy: -100.678
Base-Backbone interact. energy: -1.791
local terms energy: -147.034745
where:
bonds (distance) C4'-P energy: -28.028
bonds (distance) P-C4' energy: -40.580
flat angles C4'-P-C4' energy: -33.112
flat angles P-C4'-P energy: -25.783
tors. eta vs tors. theta energy: -19.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -205.402745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.402745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.402745 (E_RNA)
where:
Base-Base interactions energy: -69.719
where: short stacking energy: -61.792
Base-Backbone interact. energy: -0.690
local terms energy: -134.993646
where:
bonds (distance) C4'-P energy: -33.546
bonds (distance) P-C4' energy: -37.672
flat angles C4'-P-C4' energy: -32.428
flat angles P-C4'-P energy: -19.649
tors. eta vs tors. theta energy: -11.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -180.909625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.909625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.909625 (E_RNA)
where:
Base-Base interactions energy: -65.779
where: short stacking energy: -45.224
Base-Backbone interact. energy: 0.222
local terms energy: -115.353206
where:
bonds (distance) C4'-P energy: -33.984
bonds (distance) P-C4' energy: -42.522
flat angles C4'-P-C4' energy: -31.337
flat angles P-C4'-P energy: -13.699
tors. eta vs tors. theta energy: 6.190
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: 8
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -168.688867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.688867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.688867 (E_RNA)
where:
Base-Base interactions energy: -51.033
where: short stacking energy: -39.045
Base-Backbone interact. energy: 0.891
local terms energy: -118.546928
where:
bonds (distance) C4'-P energy: -33.332
bonds (distance) P-C4' energy: -33.654
flat angles C4'-P-C4' energy: -29.560
flat angles P-C4'-P energy: -21.543
tors. eta vs tors. theta energy: -0.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -657.755227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.755227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.755227 (E_RNA)
where:
Base-Base interactions energy: -443.708
where: short stacking energy: -202.705
Base-Backbone interact. energy: -1.147
local terms energy: -212.899834
where:
bonds (distance) C4'-P energy: -38.361
bonds (distance) P-C4' energy: -47.495
flat angles C4'-P-C4' energy: -42.480
flat angles P-C4'-P energy: -21.785
tors. eta vs tors. theta energy: -62.778
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: 5
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -620.721231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.721231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.721231 (E_RNA)
where:
Base-Base interactions energy: -400.603
where: short stacking energy: -186.136
Base-Backbone interact. energy: -2.876
local terms energy: -217.242617
where:
bonds (distance) C4'-P energy: -45.157
bonds (distance) P-C4' energy: -40.270
flat angles C4'-P-C4' energy: -42.033
flat angles P-C4'-P energy: -33.677
tors. eta vs tors. theta energy: -56.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -593.080427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.080427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.080427 (E_RNA)
where:
Base-Base interactions energy: -395.847
where: short stacking energy: -176.863
Base-Backbone interact. energy: -0.437
local terms energy: -196.796395
where:
bonds (distance) C4'-P energy: -39.389
bonds (distance) P-C4' energy: -35.103
flat angles C4'-P-C4' energy: -43.601
flat angles P-C4'-P energy: -29.598
tors. eta vs tors. theta energy: -49.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -555.963605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.963605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.963605 (E_RNA)
where:
Base-Base interactions energy: -358.702
where: short stacking energy: -178.548
Base-Backbone interact. energy: -0.466
local terms energy: -196.795472
where:
bonds (distance) C4'-P energy: -33.689
bonds (distance) P-C4' energy: -33.750
flat angles C4'-P-C4' energy: -39.875
flat angles P-C4'-P energy: -31.388
tors. eta vs tors. theta energy: -58.094
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: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -448.970180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.970180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.970180 (E_RNA)
where:
Base-Base interactions energy: -284.806
where: short stacking energy: -123.014
Base-Backbone interact. energy: -1.637
local terms energy: -162.526783
where:
bonds (distance) C4'-P energy: -39.061
bonds (distance) P-C4' energy: -38.171
flat angles C4'-P-C4' energy: -33.224
flat angles P-C4'-P energy: -19.738
tors. eta vs tors. theta energy: -32.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -384.969414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.969414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.969414 (E_RNA)
where:
Base-Base interactions energy: -226.877
where: short stacking energy: -108.467
Base-Backbone interact. energy: -0.354
local terms energy: -157.738055
where:
bonds (distance) C4'-P energy: -40.703
bonds (distance) P-C4' energy: -29.526
flat angles C4'-P-C4' energy: -38.674
flat angles P-C4'-P energy: -26.123
tors. eta vs tors. theta energy: -22.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -295.980292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.980292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.980292 (E_RNA)
where:
Base-Base interactions energy: -172.651
where: short stacking energy: -79.952
Base-Backbone interact. energy: -1.285
local terms energy: -122.043958
where:
bonds (distance) C4'-P energy: -29.434
bonds (distance) P-C4' energy: -32.877
flat angles C4'-P-C4' energy: -34.815
flat angles P-C4'-P energy: -15.882
tors. eta vs tors. theta energy: -9.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -210.151974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.151974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.151974 (E_RNA)
where:
Base-Base interactions energy: -87.169
where: short stacking energy: -82.879
Base-Backbone interact. energy: -0.349
local terms energy: -122.634460
where:
bonds (distance) C4'-P energy: -31.277
bonds (distance) P-C4' energy: -32.782
flat angles C4'-P-C4' energy: -33.837
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -8.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -190.980798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.980798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.980798 (E_RNA)
where:
Base-Base interactions energy: -59.951
where: short stacking energy: -43.140
Base-Backbone interact. energy: -0.210
local terms energy: -130.819672
where:
bonds (distance) C4'-P energy: -30.695
bonds (distance) P-C4' energy: -45.437
flat angles C4'-P-C4' energy: -22.162
flat angles P-C4'-P energy: -33.705
tors. eta vs tors. theta energy: 1.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -166.541805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.541805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.541805 (E_RNA)
where:
Base-Base interactions energy: -73.854
where: short stacking energy: -45.294
Base-Backbone interact. energy: -0.942
local terms energy: -91.746146
where:
bonds (distance) C4'-P energy: -35.490
bonds (distance) P-C4' energy: -41.123
flat angles C4'-P-C4' energy: -26.256
flat angles P-C4'-P energy: -0.951
tors. eta vs tors. theta energy: 12.074
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: 7
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -644.954655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.954655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.954655 (E_RNA)
where:
Base-Base interactions energy: -423.113
where: short stacking energy: -192.885
Base-Backbone interact. energy: 2.685
local terms energy: -224.526626
where:
bonds (distance) C4'-P energy: -40.603
bonds (distance) P-C4' energy: -45.540
flat angles C4'-P-C4' energy: -46.978
flat angles P-C4'-P energy: -32.402
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: 2, replica: 1
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -637.576466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.576466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.576466 (E_RNA)
where:
Base-Base interactions energy: -431.935
where: short stacking energy: -173.365
Base-Backbone interact. energy: -0.589
local terms energy: -205.052550
where:
bonds (distance) C4'-P energy: -38.272
bonds (distance) P-C4' energy: -40.896
flat angles C4'-P-C4' energy: -42.570
flat angles P-C4'-P energy: -35.236
tors. eta vs tors. theta energy: -48.079
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: 5
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -612.002844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.002844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.002844 (E_RNA)
where:
Base-Base interactions energy: -415.670
where: short stacking energy: -186.827
Base-Backbone interact. energy: -0.443
local terms energy: -195.889985
where:
bonds (distance) C4'-P energy: -34.762
bonds (distance) P-C4' energy: -29.980
flat angles C4'-P-C4' energy: -38.618
flat angles P-C4'-P energy: -32.536
tors. eta vs tors. theta energy: -59.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -550.163668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.163668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.163668 (E_RNA)
where:
Base-Base interactions energy: -349.736
where: short stacking energy: -166.281
Base-Backbone interact. energy: 1.850
local terms energy: -202.278498
where:
bonds (distance) C4'-P energy: -36.356
bonds (distance) P-C4' energy: -39.259
flat angles C4'-P-C4' energy: -43.890
flat angles P-C4'-P energy: -32.634
tors. eta vs tors. theta energy: -50.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -438.841049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.841049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.841049 (E_RNA)
where:
Base-Base interactions energy: -265.913
where: short stacking energy: -122.864
Base-Backbone interact. energy: -1.074
local terms energy: -171.853935
where:
bonds (distance) C4'-P energy: -43.643
bonds (distance) P-C4' energy: -37.665
flat angles C4'-P-C4' energy: -33.700
flat angles P-C4'-P energy: -24.278
tors. eta vs tors. theta energy: -32.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -404.319628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.319628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.319628 (E_RNA)
where:
Base-Base interactions energy: -232.529
where: short stacking energy: -112.571
Base-Backbone interact. energy: -0.959
local terms energy: -170.831473
where:
bonds (distance) C4'-P energy: -36.735
bonds (distance) P-C4' energy: -39.994
flat angles C4'-P-C4' energy: -36.436
flat angles P-C4'-P energy: -29.022
tors. eta vs tors. theta energy: -28.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -279.216188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.216188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.216188 (E_RNA)
where:
Base-Base interactions energy: -131.418
where: short stacking energy: -67.524
Base-Backbone interact. energy: -0.335
local terms energy: -147.463751
where:
bonds (distance) C4'-P energy: -41.901
bonds (distance) P-C4' energy: -39.403
flat angles C4'-P-C4' energy: -31.624
flat angles P-C4'-P energy: -26.335
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: 8, replica: 8
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -194.512916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.512916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.512916 (E_RNA)
where:
Base-Base interactions energy: -70.595
where: short stacking energy: -62.091
Base-Backbone interact. energy: -0.426
local terms energy: -123.492116
where:
bonds (distance) C4'-P energy: -27.998
bonds (distance) P-C4' energy: -39.289
flat angles C4'-P-C4' energy: -33.407
flat angles P-C4'-P energy: -19.553
tors. eta vs tors. theta energy: -3.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -179.664696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.664696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.664696 (E_RNA)
where:
Base-Base interactions energy: -61.125
where: short stacking energy: -56.356
Base-Backbone interact. energy: 0.415
local terms energy: -118.955495
where:
bonds (distance) C4'-P energy: -30.704
bonds (distance) P-C4' energy: -28.016
flat angles C4'-P-C4' energy: -39.073
flat angles P-C4'-P energy: -22.409
tors. eta vs tors. theta energy: 1.247
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: 9
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -170.657553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.657553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.657553 (E_RNA)
where:
Base-Base interactions energy: -58.440
where: short stacking energy: -41.122
Base-Backbone interact. energy: 2.809
local terms energy: -115.027077
where:
bonds (distance) C4'-P energy: -31.080
bonds (distance) P-C4' energy: -35.709
flat angles C4'-P-C4' energy: -36.555
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -0.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -663.790585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.790585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.790585 (E_RNA)
where:
Base-Base interactions energy: -444.709
where: short stacking energy: -205.746
Base-Backbone interact. energy: 0.526
local terms energy: -219.607280
where:
bonds (distance) C4'-P energy: -31.364
bonds (distance) P-C4' energy: -44.368
flat angles C4'-P-C4' energy: -44.819
flat angles P-C4'-P energy: -34.856
tors. eta vs tors. theta energy: -64.201
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: 1
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -627.690092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.690092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.690092 (E_RNA)
where:
Base-Base interactions energy: -438.399
where: short stacking energy: -185.971
Base-Backbone interact. energy: -0.188
local terms energy: -189.102490
where:
bonds (distance) C4'-P energy: -41.120
bonds (distance) P-C4' energy: -35.290
flat angles C4'-P-C4' energy: -39.095
flat angles P-C4'-P energy: -28.327
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: 3, replica: 5
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -604.646052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.646052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.646052 (E_RNA)
where:
Base-Base interactions energy: -400.098
where: short stacking energy: -189.543
Base-Backbone interact. energy: -0.574
local terms energy: -203.973744
where:
bonds (distance) C4'-P energy: -44.304
bonds (distance) P-C4' energy: -38.652
flat angles C4'-P-C4' energy: -43.734
flat angles P-C4'-P energy: -23.333
tors. eta vs tors. theta energy: -53.950
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: 4, replica: 4
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -521.140049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.140049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.140049 (E_RNA)
where:
Base-Base interactions energy: -324.893
where: short stacking energy: -156.247
Base-Backbone interact. energy: -0.465
local terms energy: -195.782217
where:
bonds (distance) C4'-P energy: -35.640
bonds (distance) P-C4' energy: -37.101
flat angles C4'-P-C4' energy: -39.727
flat angles P-C4'-P energy: -33.341
tors. eta vs tors. theta energy: -49.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -412.302046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.302046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.302046 (E_RNA)
where:
Base-Base interactions energy: -255.721
where: short stacking energy: -113.582
Base-Backbone interact. energy: -0.889
local terms energy: -155.691272
where:
bonds (distance) C4'-P energy: -30.217
bonds (distance) P-C4' energy: -40.522
flat angles C4'-P-C4' energy: -37.346
flat angles P-C4'-P energy: -21.878
tors. eta vs tors. theta energy: -25.728
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: 3
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -383.463961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.463961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.463961 (E_RNA)
where:
Base-Base interactions energy: -221.880
where: short stacking energy: -100.941
Base-Backbone interact. energy: -1.083
local terms energy: -160.500713
where:
bonds (distance) C4'-P energy: -34.399
bonds (distance) P-C4' energy: -32.223
flat angles C4'-P-C4' energy: -38.999
flat angles P-C4'-P energy: -29.476
tors. eta vs tors. theta energy: -25.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -206.433303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.433303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.433303 (E_RNA)
where:
Base-Base interactions energy: -98.169
where: short stacking energy: -71.314
Base-Backbone interact. energy: -0.486
local terms energy: -107.778874
where:
bonds (distance) C4'-P energy: -24.689
bonds (distance) P-C4' energy: -35.111
flat angles C4'-P-C4' energy: -26.211
flat angles P-C4'-P energy: -24.525
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: 8, replica: 6
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -276.090719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.090719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.090719 (E_RNA)
where:
Base-Base interactions energy: -152.578
where: short stacking energy: -71.292
Base-Backbone interact. energy: -1.400
local terms energy: -122.112437
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -41.128
flat angles C4'-P-C4' energy: -34.845
flat angles P-C4'-P energy: -20.845
tors. eta vs tors. theta energy: -5.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -215.030937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.030937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.030937 (E_RNA)
where:
Base-Base interactions energy: -98.442
where: short stacking energy: -64.782
Base-Backbone interact. energy: -0.782
local terms energy: -115.807623
where:
bonds (distance) C4'-P energy: -18.923
bonds (distance) P-C4' energy: -36.947
flat angles C4'-P-C4' energy: -24.502
flat angles P-C4'-P energy: -22.864
tors. eta vs tors. theta energy: -12.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -164.378899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.378899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.378899 (E_RNA)
where:
Base-Base interactions energy: -58.421
where: short stacking energy: -45.034
Base-Backbone interact. energy: -0.375
local terms energy: -105.583620
where:
bonds (distance) C4'-P energy: -38.804
bonds (distance) P-C4' energy: -37.303
flat angles C4'-P-C4' energy: -25.988
flat angles P-C4'-P energy: -16.315
tors. eta vs tors. theta energy: 12.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -684.290857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.290857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.290857 (E_RNA)
where:
Base-Base interactions energy: -459.779
where: short stacking energy: -220.958
Base-Backbone interact. energy: 0.153
local terms energy: -224.664560
where:
bonds (distance) C4'-P energy: -44.574
bonds (distance) P-C4' energy: -34.379
flat angles C4'-P-C4' energy: -42.570
flat angles P-C4'-P energy: -37.579
tors. eta vs tors. theta energy: -65.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -625.656662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.656662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.656662 (E_RNA)
where:
Base-Base interactions energy: -441.310
where: short stacking energy: -182.920
Base-Backbone interact. energy: 2.640
local terms energy: -186.987157
where:
bonds (distance) C4'-P energy: -31.106
bonds (distance) P-C4' energy: -39.303
flat angles C4'-P-C4' energy: -40.401
flat angles P-C4'-P energy: -29.719
tors. eta vs tors. theta energy: -46.458
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: 5
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -621.963961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.963961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.963961 (E_RNA)
where:
Base-Base interactions energy: -409.068
where: short stacking energy: -180.545
Base-Backbone interact. energy: -0.640
local terms energy: -212.255614
where:
bonds (distance) C4'-P energy: -40.791
bonds (distance) P-C4' energy: -36.383
flat angles C4'-P-C4' energy: -43.384
flat angles P-C4'-P energy: -35.535
tors. eta vs tors. theta energy: -56.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -524.188484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.188484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.188484 (E_RNA)
where:
Base-Base interactions energy: -342.890
where: short stacking energy: -154.669
Base-Backbone interact. energy: -0.792
local terms energy: -180.506473
where:
bonds (distance) C4'-P energy: -40.121
bonds (distance) P-C4' energy: -38.703
flat angles C4'-P-C4' energy: -39.340
flat angles P-C4'-P energy: -18.566
tors. eta vs tors. theta energy: -43.776
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: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -429.211374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.211374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.211374 (E_RNA)
where:
Base-Base interactions energy: -264.113
where: short stacking energy: -117.984
Base-Backbone interact. energy: -2.875
local terms energy: -162.223553
where:
bonds (distance) C4'-P energy: -37.201
bonds (distance) P-C4' energy: -38.817
flat angles C4'-P-C4' energy: -34.875
flat angles P-C4'-P energy: -26.207
tors. eta vs tors. theta energy: -25.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -450.741320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.741320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.741320 (E_RNA)
where:
Base-Base interactions energy: -278.760
where: short stacking energy: -124.163
Base-Backbone interact. energy: 0.147
local terms energy: -172.127894
where:
bonds (distance) C4'-P energy: -26.574
bonds (distance) P-C4' energy: -43.155
flat angles C4'-P-C4' energy: -43.726
flat angles P-C4'-P energy: -24.301
tors. eta vs tors. theta energy: -34.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -229.781470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.781470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.781470 (E_RNA)
where:
Base-Base interactions energy: -102.774
where: short stacking energy: -62.425
Base-Backbone interact. energy: 1.718
local terms energy: -128.725001
where:
bonds (distance) C4'-P energy: -37.352
bonds (distance) P-C4' energy: -32.297
flat angles C4'-P-C4' energy: -33.894
flat angles P-C4'-P energy: -23.485
tors. eta vs tors. theta energy: -1.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -262.191740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.191740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.191740 (E_RNA)
where:
Base-Base interactions energy: -131.909
where: short stacking energy: -66.517
Base-Backbone interact. energy: -0.267
local terms energy: -130.016721
where:
bonds (distance) C4'-P energy: -33.052
bonds (distance) P-C4' energy: -33.610
flat angles C4'-P-C4' energy: -36.004
flat angles P-C4'-P energy: -20.658
tors. eta vs tors. theta energy: -6.692
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: 9, replica: 9
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -184.917976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.917976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.917976 (E_RNA)
where:
Base-Base interactions energy: -55.026
where: short stacking energy: -45.678
Base-Backbone interact. energy: 1.247
local terms energy: -131.138814
where:
bonds (distance) C4'-P energy: -35.407
bonds (distance) P-C4' energy: -41.707
flat angles C4'-P-C4' energy: -24.787
flat angles P-C4'-P energy: -28.412
tors. eta vs tors. theta energy: -0.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -178.553604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.553604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.553604 (E_RNA)
where:
Base-Base interactions energy: -70.007
where: short stacking energy: -62.884
Base-Backbone interact. energy: 3.271
local terms energy: -111.816938
where:
bonds (distance) C4'-P energy: -24.766
bonds (distance) P-C4' energy: -36.249
flat angles C4'-P-C4' energy: -31.463
flat angles P-C4'-P energy: -19.503
tors. eta vs tors. theta energy: 0.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -666.640187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.640187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.640187 (E_RNA)
where:
Base-Base interactions energy: -440.250
where: short stacking energy: -198.456
Base-Backbone interact. energy: 0.316
local terms energy: -226.706867
where:
bonds (distance) C4'-P energy: -40.818
bonds (distance) P-C4' energy: -44.226
flat angles C4'-P-C4' energy: -46.711
flat angles P-C4'-P energy: -34.376
tors. eta vs tors. theta energy: -60.576
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: 1
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -627.087548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.087548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.087548 (E_RNA)
where:
Base-Base interactions energy: -432.131
where: short stacking energy: -168.502
Base-Backbone interact. energy: 0.185
local terms energy: -195.141524
where:
bonds (distance) C4'-P energy: -38.091
bonds (distance) P-C4' energy: -43.361
flat angles C4'-P-C4' energy: -38.566
flat angles P-C4'-P energy: -30.540
tors. eta vs tors. theta energy: -44.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -603.625643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.625643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.625643 (E_RNA)
where:
Base-Base interactions energy: -406.602
where: short stacking energy: -185.707
Base-Backbone interact. energy: -0.234
local terms energy: -196.789481
where:
bonds (distance) C4'-P energy: -33.420
bonds (distance) P-C4' energy: -38.050
flat angles C4'-P-C4' energy: -42.844
flat angles P-C4'-P energy: -29.179
tors. eta vs tors. theta energy: -53.296
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: 4
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -514.324847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.324847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.324847 (E_RNA)
where:
Base-Base interactions energy: -329.430
where: short stacking energy: -164.988
Base-Backbone interact. energy: -0.038
local terms energy: -184.856931
where:
bonds (distance) C4'-P energy: -26.604
bonds (distance) P-C4' energy: -34.254
flat angles C4'-P-C4' energy: -41.438
flat angles P-C4'-P energy: -33.457
tors. eta vs tors. theta energy: -49.104
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: 94
Temperature: 1.100000
Total energy: -451.405236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.405236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.405236 (E_RNA)
where:
Base-Base interactions energy: -278.758
where: short stacking energy: -117.949
Base-Backbone interact. energy: -0.209
local terms energy: -172.438212
where:
bonds (distance) C4'-P energy: -36.141
bonds (distance) P-C4' energy: -38.930
flat angles C4'-P-C4' energy: -40.006
flat angles P-C4'-P energy: -24.730
tors. eta vs tors. theta energy: -32.631
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: 2
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -394.897241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.897241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.897241 (E_RNA)
where:
Base-Base interactions energy: -238.717
where: short stacking energy: -98.040
Base-Backbone interact. energy: 0.961
local terms energy: -157.141352
where:
bonds (distance) C4'-P energy: -29.550
bonds (distance) P-C4' energy: -40.679
flat angles C4'-P-C4' energy: -42.621
flat angles P-C4'-P energy: -30.038
tors. eta vs tors. theta energy: -14.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -265.327162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.327162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.327162 (E_RNA)
where:
Base-Base interactions energy: -131.046
where: short stacking energy: -56.587
Base-Backbone interact. energy: 1.348
local terms energy: -135.629477
where:
bonds (distance) C4'-P energy: -43.138
bonds (distance) P-C4' energy: -40.376
flat angles C4'-P-C4' energy: -34.605
flat angles P-C4'-P energy: -21.943
tors. eta vs tors. theta energy: 4.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -202.057396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.057396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.057396 (E_RNA)
where:
Base-Base interactions energy: -83.026
where: short stacking energy: -60.430
Base-Backbone interact. energy: -0.765
local terms energy: -118.266400
where:
bonds (distance) C4'-P energy: -30.122
bonds (distance) P-C4' energy: -40.718
flat angles C4'-P-C4' energy: -28.000
flat angles P-C4'-P energy: -16.524
tors. eta vs tors. theta energy: -2.903
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: 10
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -201.140339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.140339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.140339 (E_RNA)
where:
Base-Base interactions energy: -64.372
where: short stacking energy: -64.372
Base-Backbone interact. energy: -0.143
local terms energy: -136.624994
where:
bonds (distance) C4'-P energy: -35.487
bonds (distance) P-C4' energy: -38.604
flat angles C4'-P-C4' energy: -37.157
flat angles P-C4'-P energy: -20.475
tors. eta vs tors. theta energy: -4.903
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: 10, replica: 9
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -178.098007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.098007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.098007 (E_RNA)
where:
Base-Base interactions energy: -59.231
where: short stacking energy: -58.046
Base-Backbone interact. energy: -0.168
local terms energy: -118.698741
where:
bonds (distance) C4'-P energy: -29.017
bonds (distance) P-C4' energy: -37.942
flat angles C4'-P-C4' energy: -30.550
flat angles P-C4'-P energy: -20.362
tors. eta vs tors. theta energy: -0.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -669.593170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.593170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.593170 (E_RNA)
where:
Base-Base interactions energy: -450.874
where: short stacking energy: -203.391
Base-Backbone interact. energy: -1.093
local terms energy: -217.626392
where:
bonds (distance) C4'-P energy: -34.151
bonds (distance) P-C4' energy: -42.138
flat angles C4'-P-C4' energy: -47.926
flat angles P-C4'-P energy: -27.458
tors. eta vs tors. theta energy: -65.952
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: 95
Temperature: 0.950000
Total energy: -627.332636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.332636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.332636 (E_RNA)
where:
Base-Base interactions energy: -432.504
where: short stacking energy: -174.681
Base-Backbone interact. energy: -0.970
local terms energy: -193.858217
where:
bonds (distance) C4'-P energy: -42.580
bonds (distance) P-C4' energy: -36.649
flat angles C4'-P-C4' energy: -37.170
flat angles P-C4'-P energy: -31.605
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: 3, replica: 5
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -603.444772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.444772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.444772 (E_RNA)
where:
Base-Base interactions energy: -404.390
where: short stacking energy: -169.178
Base-Backbone interact. energy: -0.493
local terms energy: -198.561777
where:
bonds (distance) C4'-P energy: -47.079
bonds (distance) P-C4' energy: -33.463
flat angles C4'-P-C4' energy: -40.367
flat angles P-C4'-P energy: -24.017
tors. eta vs tors. theta energy: -53.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -523.998708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.998708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.998708 (E_RNA)
where:
Base-Base interactions energy: -340.318
where: short stacking energy: -171.652
Base-Backbone interact. energy: 0.704
local terms energy: -184.384849
where:
bonds (distance) C4'-P energy: -35.103
bonds (distance) P-C4' energy: -38.750
flat angles C4'-P-C4' energy: -40.341
flat angles P-C4'-P energy: -17.699
tors. eta vs tors. theta energy: -52.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -483.735225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.735225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.735225 (E_RNA)
where:
Base-Base interactions energy: -314.813
where: short stacking energy: -132.716
Base-Backbone interact. energy: -0.465
local terms energy: -168.456817
where:
bonds (distance) C4'-P energy: -33.830
bonds (distance) P-C4' energy: -39.322
flat angles C4'-P-C4' energy: -32.798
flat angles P-C4'-P energy: -20.668
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: 6, replica: 2
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -392.752924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.752924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.752924 (E_RNA)
where:
Base-Base interactions energy: -257.120
where: short stacking energy: -108.016
Base-Backbone interact. energy: -1.067
local terms energy: -134.565263
where:
bonds (distance) C4'-P energy: -33.992
bonds (distance) P-C4' energy: -37.196
flat angles C4'-P-C4' energy: -25.834
flat angles P-C4'-P energy: -27.369
tors. eta vs tors. theta energy: -10.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -257.479198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.479198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.479198 (E_RNA)
where:
Base-Base interactions energy: -142.934
where: short stacking energy: -63.371
Base-Backbone interact. energy: 0.327
local terms energy: -114.872031
where:
bonds (distance) C4'-P energy: -38.134
bonds (distance) P-C4' energy: -33.108
flat angles C4'-P-C4' energy: -31.829
flat angles P-C4'-P energy: -17.800
tors. eta vs tors. theta energy: 5.999
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: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -207.057370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.057370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.057370 (E_RNA)
where:
Base-Base interactions energy: -81.912
where: short stacking energy: -60.466
Base-Backbone interact. energy: -0.199
local terms energy: -124.945999
where:
bonds (distance) C4'-P energy: -39.276
bonds (distance) P-C4' energy: -34.966
flat angles C4'-P-C4' energy: -32.902
flat angles P-C4'-P energy: -18.265
tors. eta vs tors. theta energy: 0.463
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: 9, replica: 10
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -194.343631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.343631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.343631 (E_RNA)
where:
Base-Base interactions energy: -72.964
where: short stacking energy: -60.115
Base-Backbone interact. energy: -0.872
local terms energy: -120.507516
where:
bonds (distance) C4'-P energy: -34.955
bonds (distance) P-C4' energy: -26.833
flat angles C4'-P-C4' energy: -30.598
flat angles P-C4'-P energy: -23.371
tors. eta vs tors. theta energy: -4.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -170.487488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.487488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.487488 (E_RNA)
where:
Base-Base interactions energy: -71.092
where: short stacking energy: -55.095
Base-Backbone interact. energy: -0.210
local terms energy: -99.185875
where:
bonds (distance) C4'-P energy: -24.452
bonds (distance) P-C4' energy: -30.800
flat angles C4'-P-C4' energy: -25.786
flat angles P-C4'-P energy: -18.346
tors. eta vs tors. theta energy: 0.198
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: 7
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -660.582021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.582021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.582021 (E_RNA)
where:
Base-Base interactions energy: -448.019
where: short stacking energy: -211.602
Base-Backbone interact. energy: 0.126
local terms energy: -212.688583
where:
bonds (distance) C4'-P energy: -36.230
bonds (distance) P-C4' energy: -33.349
flat angles C4'-P-C4' energy: -41.554
flat angles P-C4'-P energy: -35.967
tors. eta vs tors. theta energy: -65.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -624.668544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.668544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.668544 (E_RNA)
where:
Base-Base interactions energy: -423.216
where: short stacking energy: -167.114
Base-Backbone interact. energy: -1.511
local terms energy: -199.941745
where:
bonds (distance) C4'-P energy: -37.584
bonds (distance) P-C4' energy: -37.428
flat angles C4'-P-C4' energy: -38.517
flat angles P-C4'-P energy: -36.186
tors. eta vs tors. theta energy: -50.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -574.994506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.994506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.994506 (E_RNA)
where:
Base-Base interactions energy: -390.010
where: short stacking energy: -153.307
Base-Backbone interact. energy: -0.766
local terms energy: -184.218748
where:
bonds (distance) C4'-P energy: -33.421
bonds (distance) P-C4' energy: -39.402
flat angles C4'-P-C4' energy: -45.223
flat angles P-C4'-P energy: -21.210
tors. eta vs tors. theta energy: -44.962
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: 4
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -546.309632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.309632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.309632 (E_RNA)
where:
Base-Base interactions energy: -342.699
where: short stacking energy: -174.653
Base-Backbone interact. energy: -1.016
local terms energy: -202.595425
where:
bonds (distance) C4'-P energy: -43.901
bonds (distance) P-C4' energy: -35.854
flat angles C4'-P-C4' energy: -44.951
flat angles P-C4'-P energy: -23.801
tors. eta vs tors. theta energy: -54.090
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: 96
Temperature: 1.100000
Total energy: -483.988690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.988690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.988690 (E_RNA)
where:
Base-Base interactions energy: -312.267
where: short stacking energy: -125.501
Base-Backbone interact. energy: -0.019
local terms energy: -171.703279
where:
bonds (distance) C4'-P energy: -40.775
bonds (distance) P-C4' energy: -28.431
flat angles C4'-P-C4' energy: -35.312
flat angles P-C4'-P energy: -28.702
tors. eta vs tors. theta energy: -38.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -450.995024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.995024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.995024 (E_RNA)
where:
Base-Base interactions energy: -298.220
where: short stacking energy: -122.238
Base-Backbone interact. energy: 0.613
local terms energy: -153.387432
where:
bonds (distance) C4'-P energy: -41.799
bonds (distance) P-C4' energy: -31.798
flat angles C4'-P-C4' energy: -30.925
flat angles P-C4'-P energy: -24.711
tors. eta vs tors. theta energy: -24.155
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: 8
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -245.073529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.073529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.073529 (E_RNA)
where:
Base-Base interactions energy: -112.338
where: short stacking energy: -78.413
Base-Backbone interact. energy: -0.506
local terms energy: -132.229637
where:
bonds (distance) C4'-P energy: -33.620
bonds (distance) P-C4' energy: -32.890
flat angles C4'-P-C4' energy: -31.617
flat angles P-C4'-P energy: -26.099
tors. eta vs tors. theta energy: -8.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -274.552292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.552292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.552292 (E_RNA)
where:
Base-Base interactions energy: -137.669
where: short stacking energy: -80.661
Base-Backbone interact. energy: -0.363
local terms energy: -136.520881
where:
bonds (distance) C4'-P energy: -33.741
bonds (distance) P-C4' energy: -39.127
flat angles C4'-P-C4' energy: -31.013
flat angles P-C4'-P energy: -24.086
tors. eta vs tors. theta energy: -8.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -207.856145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.856145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.856145 (E_RNA)
where:
Base-Base interactions energy: -77.515
where: short stacking energy: -53.653
Base-Backbone interact. energy: -1.209
local terms energy: -129.132029
where:
bonds (distance) C4'-P energy: -36.694
bonds (distance) P-C4' energy: -34.844
flat angles C4'-P-C4' energy: -34.861
flat angles P-C4'-P energy: -18.591
tors. eta vs tors. theta energy: -4.142
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: 10
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -163.120258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.120258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.120258 (E_RNA)
where:
Base-Base interactions energy: -27.997
where: short stacking energy: -25.197
Base-Backbone interact. energy: 1.500
local terms energy: -136.623427
where:
bonds (distance) C4'-P energy: -40.563
bonds (distance) P-C4' energy: -35.928
flat angles C4'-P-C4' energy: -34.226
flat angles P-C4'-P energy: -24.337
tors. eta vs tors. theta energy: -1.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -667.767133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.767133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.767133 (E_RNA)
where:
Base-Base interactions energy: -442.869
where: short stacking energy: -201.828
Base-Backbone interact. energy: -2.245
local terms energy: -222.653037
where:
bonds (distance) C4'-P energy: -34.225
bonds (distance) P-C4' energy: -45.059
flat angles C4'-P-C4' energy: -48.059
flat angles P-C4'-P energy: -32.484
tors. eta vs tors. theta energy: -62.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -622.998871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.998871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.998871 (E_RNA)
where:
Base-Base interactions energy: -429.998
where: short stacking energy: -170.344
Base-Backbone interact. energy: -0.427
local terms energy: -192.573616
where:
bonds (distance) C4'-P energy: -34.695
bonds (distance) P-C4' energy: -36.049
flat angles C4'-P-C4' energy: -45.024
flat angles P-C4'-P energy: -28.685
tors. eta vs tors. theta energy: -48.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -629.391906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.391906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.391906 (E_RNA)
where:
Base-Base interactions energy: -422.594
where: short stacking energy: -183.937
Base-Backbone interact. energy: 0.410
local terms energy: -207.207724
where:
bonds (distance) C4'-P energy: -40.160
bonds (distance) P-C4' energy: -38.441
flat angles C4'-P-C4' energy: -48.713
flat angles P-C4'-P energy: -29.527
tors. eta vs tors. theta energy: -50.366
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: 4
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -570.850705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.850705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.850705 (E_RNA)
where:
Base-Base interactions energy: -357.741
where: short stacking energy: -184.704
Base-Backbone interact. energy: -0.218
local terms energy: -212.891426
where:
bonds (distance) C4'-P energy: -43.140
bonds (distance) P-C4' energy: -45.389
flat angles C4'-P-C4' energy: -41.486
flat angles P-C4'-P energy: -24.241
tors. eta vs tors. theta energy: -58.635
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: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -490.473825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.473825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.473825 (E_RNA)
where:
Base-Base interactions energy: -313.099
where: short stacking energy: -127.065
Base-Backbone interact. energy: -0.110
local terms energy: -177.264346
where:
bonds (distance) C4'-P energy: -37.445
bonds (distance) P-C4' energy: -40.112
flat angles C4'-P-C4' energy: -37.818
flat angles P-C4'-P energy: -29.345
tors. eta vs tors. theta energy: -32.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -427.113404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.113404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.113404 (E_RNA)
where:
Base-Base interactions energy: -262.904
where: short stacking energy: -99.711
Base-Backbone interact. energy: -2.231
local terms energy: -161.978671
where:
bonds (distance) C4'-P energy: -37.928
bonds (distance) P-C4' energy: -37.072
flat angles C4'-P-C4' energy: -34.274
flat angles P-C4'-P energy: -30.355
tors. eta vs tors. theta energy: -22.349
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: 8
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -200.551525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.551525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.551525 (E_RNA)
where:
Base-Base interactions energy: -62.233
where: short stacking energy: -60.215
Base-Backbone interact. energy: -0.629
local terms energy: -137.689214
where:
bonds (distance) C4'-P energy: -43.495
bonds (distance) P-C4' energy: -39.063
flat angles C4'-P-C4' energy: -36.016
flat angles P-C4'-P energy: -18.105
tors. eta vs tors. theta energy: -1.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -227.157123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.157123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.157123 (E_RNA)
where:
Base-Base interactions energy: -87.135
where: short stacking energy: -77.493
Base-Backbone interact. energy: -0.129
local terms energy: -139.893147
where:
bonds (distance) C4'-P energy: -32.585
bonds (distance) P-C4' energy: -37.991
flat angles C4'-P-C4' energy: -31.665
flat angles P-C4'-P energy: -24.423
tors. eta vs tors. theta energy: -13.230
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: 97
Temperature: 1.300000
Total energy: -234.663206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.663206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.663206 (E_RNA)
where:
Base-Base interactions energy: -116.397
where: short stacking energy: -62.086
Base-Backbone interact. energy: -0.672
local terms energy: -117.594188
where:
bonds (distance) C4'-P energy: -43.545
bonds (distance) P-C4' energy: -30.817
flat angles C4'-P-C4' energy: -31.713
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: 1.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -174.243788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.243788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.243788 (E_RNA)
where:
Base-Base interactions energy: -66.489
where: short stacking energy: -63.918
Base-Backbone interact. energy: -0.121
local terms energy: -107.633686
where:
bonds (distance) C4'-P energy: -32.284
bonds (distance) P-C4' energy: -37.629
flat angles C4'-P-C4' energy: -27.105
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: 2.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -668.609367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.609367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.609367 (E_RNA)
where:
Base-Base interactions energy: -443.920
where: short stacking energy: -198.897
Base-Backbone interact. energy: -0.360
local terms energy: -224.330027
where:
bonds (distance) C4'-P energy: -37.142
bonds (distance) P-C4' energy: -40.847
flat angles C4'-P-C4' energy: -47.217
flat angles P-C4'-P energy: -33.156
tors. eta vs tors. theta energy: -65.968
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: 2, replica: 1
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -626.736680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.736680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.736680 (E_RNA)
where:
Base-Base interactions energy: -428.100
where: short stacking energy: -178.587
Base-Backbone interact. energy: -1.135
local terms energy: -197.502042
where:
bonds (distance) C4'-P energy: -36.795
bonds (distance) P-C4' energy: -45.409
flat angles C4'-P-C4' energy: -37.500
flat angles P-C4'-P energy: -28.235
tors. eta vs tors. theta energy: -49.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -632.601139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.601139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.601139 (E_RNA)
where:
Base-Base interactions energy: -425.202
where: short stacking energy: -174.125
Base-Backbone interact. energy: 0.620
local terms energy: -208.018660
where:
bonds (distance) C4'-P energy: -38.447
bonds (distance) P-C4' energy: -40.273
flat angles C4'-P-C4' energy: -43.778
flat angles P-C4'-P energy: -33.715
tors. eta vs tors. theta energy: -51.806
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: 98
Temperature: 1.050000
Total energy: -539.845061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.845061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.845061 (E_RNA)
where:
Base-Base interactions energy: -343.647
where: short stacking energy: -162.435
Base-Backbone interact. energy: -0.030
local terms energy: -196.168077
where:
bonds (distance) C4'-P energy: -38.615
bonds (distance) P-C4' energy: -44.741
flat angles C4'-P-C4' energy: -37.778
flat angles P-C4'-P energy: -27.749
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: 5, replica: 3
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -494.621799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.621799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.621799 (E_RNA)
where:
Base-Base interactions energy: -312.558
where: short stacking energy: -131.199
Base-Backbone interact. energy: 0.257
local terms energy: -182.321258
where:
bonds (distance) C4'-P energy: -37.455
bonds (distance) P-C4' energy: -39.860
flat angles C4'-P-C4' energy: -40.267
flat angles P-C4'-P energy: -28.528
tors. eta vs tors. theta energy: -36.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -429.612570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.612570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.612570 (E_RNA)
where:
Base-Base interactions energy: -280.862
where: short stacking energy: -123.605
Base-Backbone interact. energy: -1.824
local terms energy: -146.926884
where:
bonds (distance) C4'-P energy: -30.948
bonds (distance) P-C4' energy: -31.063
flat angles C4'-P-C4' energy: -39.316
flat angles P-C4'-P energy: -16.508
tors. eta vs tors. theta energy: -29.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -240.923063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.923063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.923063 (E_RNA)
where:
Base-Base interactions energy: -111.129
where: short stacking energy: -66.638
Base-Backbone interact. energy: 0.412
local terms energy: -130.206233
where:
bonds (distance) C4'-P energy: -33.331
bonds (distance) P-C4' energy: -40.081
flat angles C4'-P-C4' energy: -33.295
flat angles P-C4'-P energy: -16.990
tors. eta vs tors. theta energy: -6.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -214.575134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.575134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.575134 (E_RNA)
where:
Base-Base interactions energy: -97.096
where: short stacking energy: -60.289
Base-Backbone interact. energy: -0.099
local terms energy: -117.380356
where:
bonds (distance) C4'-P energy: -27.473
bonds (distance) P-C4' energy: -40.834
flat angles C4'-P-C4' energy: -38.338
flat angles P-C4'-P energy: -16.340
tors. eta vs tors. theta energy: 5.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -213.459935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.459935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.459935 (E_RNA)
where:
Base-Base interactions energy: -81.182
where: short stacking energy: -56.983
Base-Backbone interact. energy: -0.708
local terms energy: -131.569852
where:
bonds (distance) C4'-P energy: -28.831
bonds (distance) P-C4' energy: -40.599
flat angles C4'-P-C4' energy: -28.978
flat angles P-C4'-P energy: -22.958
tors. eta vs tors. theta energy: -10.203
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: 10
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -172.124500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.124500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.124500 (E_RNA)
where:
Base-Base interactions energy: -54.195
where: short stacking energy: -55.703
Base-Backbone interact. energy: -1.034
local terms energy: -116.896113
where:
bonds (distance) C4'-P energy: -32.179
bonds (distance) P-C4' energy: -42.045
flat angles C4'-P-C4' energy: -26.454
flat angles P-C4'-P energy: -17.480
tors. eta vs tors. theta energy: 1.262
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: 7
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -676.890974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.890974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.890974 (E_RNA)
where:
Base-Base interactions energy: -448.098
where: short stacking energy: -211.678
Base-Backbone interact. energy: -1.700
local terms energy: -227.093514
where:
bonds (distance) C4'-P energy: -39.162
bonds (distance) P-C4' energy: -38.954
flat angles C4'-P-C4' energy: -44.133
flat angles P-C4'-P energy: -35.992
tors. eta vs tors. theta energy: -68.853
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: 5
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -625.001596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.001596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.001596 (E_RNA)
where:
Base-Base interactions energy: -418.718
where: short stacking energy: -166.917
Base-Backbone interact. energy: -0.804
local terms energy: -205.479208
where:
bonds (distance) C4'-P energy: -36.907
bonds (distance) P-C4' energy: -38.486
flat angles C4'-P-C4' energy: -46.728
flat angles P-C4'-P energy: -28.805
tors. eta vs tors. theta energy: -54.554
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: 99
Temperature: 1.000000
Total energy: -608.861586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.861586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.861586 (E_RNA)
where:
Base-Base interactions energy: -415.079
where: short stacking energy: -168.594
Base-Backbone interact. energy: -0.161
local terms energy: -193.622261
where:
bonds (distance) C4'-P energy: -38.945
bonds (distance) P-C4' energy: -39.000
flat angles C4'-P-C4' energy: -47.574
flat angles P-C4'-P energy: -19.807
tors. eta vs tors. theta energy: -48.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -566.445042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.445042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.445042 (E_RNA)
where:
Base-Base interactions energy: -357.370
where: short stacking energy: -169.469
Base-Backbone interact. energy: -0.493
local terms energy: -208.581848
where:
bonds (distance) C4'-P energy: -40.540
bonds (distance) P-C4' energy: -38.970
flat angles C4'-P-C4' energy: -48.125
flat angles P-C4'-P energy: -25.025
tors. eta vs tors. theta energy: -55.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -498.741422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.741422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.741422 (E_RNA)
where:
Base-Base interactions energy: -322.454
where: short stacking energy: -145.263
Base-Backbone interact. energy: -2.240
local terms energy: -174.047209
where:
bonds (distance) C4'-P energy: -36.110
bonds (distance) P-C4' energy: -34.170
flat angles C4'-P-C4' energy: -42.446
flat angles P-C4'-P energy: -18.622
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: 6, replica: 2
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -402.094075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.094075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.094075 (E_RNA)
where:
Base-Base interactions energy: -263.588
where: short stacking energy: -107.943
Base-Backbone interact. energy: 2.672
local terms energy: -141.177913
where:
bonds (distance) C4'-P energy: -39.101
bonds (distance) P-C4' energy: -30.648
flat angles C4'-P-C4' energy: -33.995
flat angles P-C4'-P energy: -22.580
tors. eta vs tors. theta energy: -14.854
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: 9
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -232.203326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.203326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.203326 (E_RNA)
where:
Base-Base interactions energy: -99.543
where: short stacking energy: -63.700
Base-Backbone interact. energy: 4.612
local terms energy: -137.271440
where:
bonds (distance) C4'-P energy: -26.220
bonds (distance) P-C4' energy: -33.810
flat angles C4'-P-C4' energy: -38.154
flat angles P-C4'-P energy: -29.543
tors. eta vs tors. theta energy: -9.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -234.395109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.395109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.395109 (E_RNA)
where:
Base-Base interactions energy: -105.494
where: short stacking energy: -53.113
Base-Backbone interact. energy: -0.071
local terms energy: -128.829751
where:
bonds (distance) C4'-P energy: -38.880
bonds (distance) P-C4' energy: -44.354
flat angles C4'-P-C4' energy: -31.529
flat angles P-C4'-P energy: -14.723
tors. eta vs tors. theta energy: 0.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -186.934728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.934728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.934728 (E_RNA)
where:
Base-Base interactions energy: -82.592
where: short stacking energy: -51.221
Base-Backbone interact. energy: -0.917
local terms energy: -103.425595
where:
bonds (distance) C4'-P energy: -29.540
bonds (distance) P-C4' energy: -30.427
flat angles C4'-P-C4' energy: -24.115
flat angles P-C4'-P energy: -27.208
tors. eta vs tors. theta energy: 7.864
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: 10, replica: 10
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -181.187649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.187649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.187649 (E_RNA)
where:
Base-Base interactions energy: -55.645
where: short stacking energy: -52.528
Base-Backbone interact. energy: -0.402
local terms energy: -125.140824
where:
bonds (distance) C4'-P energy: -35.764
bonds (distance) P-C4' energy: -31.269
flat angles C4'-P-C4' energy: -35.975
flat angles P-C4'-P energy: -20.187
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: 1, replica: 7
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -665.218525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.218525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.218525 (E_RNA)
where:
Base-Base interactions energy: -434.497
where: short stacking energy: -204.333
Base-Backbone interact. energy: -0.227
local terms energy: -230.494699
where:
bonds (distance) C4'-P energy: -44.697
bonds (distance) P-C4' energy: -41.436
flat angles C4'-P-C4' energy: -40.393
flat angles P-C4'-P energy: -36.373
tors. eta vs tors. theta energy: -67.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -615.010912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.010912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.010912 (E_RNA)
where:
Base-Base interactions energy: -426.144
where: short stacking energy: -173.558
Base-Backbone interact. energy: 2.385
local terms energy: -191.252367
where:
bonds (distance) C4'-P energy: -32.795
bonds (distance) P-C4' energy: -38.820
flat angles C4'-P-C4' energy: -36.922
flat angles P-C4'-P energy: -31.941
tors. eta vs tors. theta energy: -50.774
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: 100
Temperature: 1.000000
Total energy: -600.885761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.885761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.885761 (E_RNA)
where:
Base-Base interactions energy: -400.962
where: short stacking energy: -177.700
Base-Backbone interact. energy: -1.061
local terms energy: -198.863072
where:
bonds (distance) C4'-P energy: -44.550
bonds (distance) P-C4' energy: -39.176
flat angles C4'-P-C4' energy: -38.182
flat angles P-C4'-P energy: -26.845
tors. eta vs tors. theta energy: -50.110
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: 4, replica: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -531.547767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.547767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.547767 (E_RNA)
where:
Base-Base interactions energy: -321.813
where: short stacking energy: -167.556
Base-Backbone interact. energy: -0.266
local terms energy: -209.468644
where:
bonds (distance) C4'-P energy: -39.964
bonds (distance) P-C4' energy: -45.855
flat angles C4'-P-C4' energy: -40.853
flat angles P-C4'-P energy: -26.322
tors. eta vs tors. theta energy: -56.476
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: 100
Temperature: 1.100000
Total energy: -483.106093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.106093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.106093 (E_RNA)
where:
Base-Base interactions energy: -309.835
where: short stacking energy: -137.391
Base-Backbone interact. energy: 2.194
local terms energy: -175.464881
where:
bonds (distance) C4'-P energy: -37.951
bonds (distance) P-C4' energy: -38.015
flat angles C4'-P-C4' energy: -38.987
flat angles P-C4'-P energy: -20.189
tors. eta vs tors. theta energy: -40.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -393.420632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.420632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.420632 (E_RNA)
where:
Base-Base interactions energy: -242.249
where: short stacking energy: -104.839
Base-Backbone interact. energy: -0.316
local terms energy: -150.855554
where:
bonds (distance) C4'-P energy: -28.029
bonds (distance) P-C4' energy: -38.098
flat angles C4'-P-C4' energy: -32.461
flat angles P-C4'-P energy: -26.994
tors. eta vs tors. theta energy: -25.272
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: 6
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -280.713826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.713826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.713826 (E_RNA)
where:
Base-Base interactions energy: -144.234
where: short stacking energy: -57.558
Base-Backbone interact. energy: -1.323
local terms energy: -135.156687
where:
bonds (distance) C4'-P energy: -40.508
bonds (distance) P-C4' energy: -43.086
flat angles C4'-P-C4' energy: -28.333
flat angles P-C4'-P energy: -23.280
tors. eta vs tors. theta energy: 0.050
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: 9
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -198.478684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.478684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.478684 (E_RNA)
where:
Base-Base interactions energy: -83.084
where: short stacking energy: -67.871
Base-Backbone interact. energy: -0.280
local terms energy: -115.113981
where:
bonds (distance) C4'-P energy: -23.080
bonds (distance) P-C4' energy: -43.202
flat angles C4'-P-C4' energy: -32.048
flat angles P-C4'-P energy: -15.630
tors. eta vs tors. theta energy: -1.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -183.707733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.707733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.707733 (E_RNA)
where:
Base-Base interactions energy: -65.718
where: short stacking energy: -57.310
Base-Backbone interact. energy: -0.159
local terms energy: -117.830642
where:
bonds (distance) C4'-P energy: -31.084
bonds (distance) P-C4' energy: -36.141
flat angles C4'-P-C4' energy: -25.997
flat angles P-C4'-P energy: -19.735
tors. eta vs tors. theta energy: -4.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -168.310608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.310608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.310608 (E_RNA)
where:
Base-Base interactions energy: -72.265
where: short stacking energy: -47.700
Base-Backbone interact. energy: 2.679
local terms energy: -98.724856
where:
bonds (distance) C4'-P energy: -20.582
bonds (distance) P-C4' energy: -35.394
flat angles C4'-P-C4' energy: -26.187
flat angles P-C4'-P energy: -22.425
tors. eta vs tors. theta energy: 5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -658.355907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.355907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.355907 (E_RNA)
where:
Base-Base interactions energy: -445.937
where: short stacking energy: -196.390
Base-Backbone interact. energy: -0.460
local terms energy: -211.959536
where:
bonds (distance) C4'-P energy: -35.809
bonds (distance) P-C4' energy: -38.437
flat angles C4'-P-C4' energy: -49.930
flat angles P-C4'-P energy: -25.051
tors. eta vs tors. theta energy: -62.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -616.153265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.153265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.153265 (E_RNA)
where:
Base-Base interactions energy: -416.874
where: short stacking energy: -175.355
Base-Backbone interact. energy: -1.396
local terms energy: -197.882816
where:
bonds (distance) C4'-P energy: -35.790
bonds (distance) P-C4' energy: -38.618
flat angles C4'-P-C4' energy: -44.234
flat angles P-C4'-P energy: -29.819
tors. eta vs tors. theta energy: -49.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -589.592516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.592516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.592516 (E_RNA)
where:
Base-Base interactions energy: -390.591
where: short stacking energy: -169.684
Base-Backbone interact. energy: -0.088
local terms energy: -198.913231
where:
bonds (distance) C4'-P energy: -39.015
bonds (distance) P-C4' energy: -42.738
flat angles C4'-P-C4' energy: -42.490
flat angles P-C4'-P energy: -27.089
tors. eta vs tors. theta energy: -47.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -528.228348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.228348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.228348 (E_RNA)
where:
Base-Base interactions energy: -329.887
where: short stacking energy: -158.230
Base-Backbone interact. energy: -0.394
local terms energy: -197.947849
where:
bonds (distance) C4'-P energy: -33.507
bonds (distance) P-C4' energy: -42.130
flat angles C4'-P-C4' energy: -41.966
flat angles P-C4'-P energy: -28.957
tors. eta vs tors. theta energy: -51.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -533.667281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.667281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.667281 (E_RNA)
where:
Base-Base interactions energy: -347.057
where: short stacking energy: -177.904
Base-Backbone interact. energy: -0.713
local terms energy: -185.897426
where:
bonds (distance) C4'-P energy: -31.993
bonds (distance) P-C4' energy: -33.808
flat angles C4'-P-C4' energy: -42.637
flat angles P-C4'-P energy: -23.321
tors. eta vs tors. theta energy: -54.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -283.414599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.414599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.414599 (E_RNA)
where:
Base-Base interactions energy: -142.391
where: short stacking energy: -78.011
Base-Backbone interact. energy: 0.002
local terms energy: -141.025582
where:
bonds (distance) C4'-P energy: -32.657
bonds (distance) P-C4' energy: -34.617
flat angles C4'-P-C4' energy: -30.741
flat angles P-C4'-P energy: -31.215
tors. eta vs tors. theta energy: -11.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -336.532566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.532566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.532566 (E_RNA)
where:
Base-Base interactions energy: -194.132
where: short stacking energy: -101.553
Base-Backbone interact. energy: 0.027
local terms energy: -142.427355
where:
bonds (distance) C4'-P energy: -33.052
bonds (distance) P-C4' energy: -42.247
flat angles C4'-P-C4' energy: -31.108
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -22.106
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: 101
Temperature: 1.250000
Total energy: -205.223935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.223935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.223935 (E_RNA)
where:
Base-Base interactions energy: -73.128
where: short stacking energy: -50.156
Base-Backbone interact. energy: 0.679
local terms energy: -132.775000
where:
bonds (distance) C4'-P energy: -28.386
bonds (distance) P-C4' energy: -34.533
flat angles C4'-P-C4' energy: -35.035
flat angles P-C4'-P energy: -30.661
tors. eta vs tors. theta energy: -4.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -183.517198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.517198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.517198 (E_RNA)
where:
Base-Base interactions energy: -51.476
where: short stacking energy: -40.913
Base-Backbone interact. energy: -0.506
local terms energy: -131.535419
where:
bonds (distance) C4'-P energy: -36.172
bonds (distance) P-C4' energy: -42.931
flat angles C4'-P-C4' energy: -38.730
flat angles P-C4'-P energy: -12.715
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: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -173.104985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.104985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.104985 (E_RNA)
where:
Base-Base interactions energy: -56.690
where: short stacking energy: -52.658
Base-Backbone interact. energy: 0.623
local terms energy: -117.037580
where:
bonds (distance) C4'-P energy: -30.752
bonds (distance) P-C4' energy: -35.759
flat angles C4'-P-C4' energy: -32.566
flat angles P-C4'-P energy: -19.591
tors. eta vs tors. theta energy: 1.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -668.890035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.890035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.890035 (E_RNA)
where:
Base-Base interactions energy: -450.079
where: short stacking energy: -191.989
Base-Backbone interact. energy: -0.848
local terms energy: -217.962334
where:
bonds (distance) C4'-P energy: -43.199
bonds (distance) P-C4' energy: -35.969
flat angles C4'-P-C4' energy: -40.761
flat angles P-C4'-P energy: -39.261
tors. eta vs tors. theta energy: -58.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -609.557502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.557502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.557502 (E_RNA)
where:
Base-Base interactions energy: -414.780
where: short stacking energy: -167.352
Base-Backbone interact. energy: -1.002
local terms energy: -193.775275
where:
bonds (distance) C4'-P energy: -31.470
bonds (distance) P-C4' energy: -39.641
flat angles C4'-P-C4' energy: -42.693
flat angles P-C4'-P energy: -26.588
tors. eta vs tors. theta energy: -53.384
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: 1
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -581.531160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.531160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.531160 (E_RNA)
where:
Base-Base interactions energy: -386.633
where: short stacking energy: -160.562
Base-Backbone interact. energy: -0.766
local terms energy: -194.132270
where:
bonds (distance) C4'-P energy: -40.494
bonds (distance) P-C4' energy: -42.452
flat angles C4'-P-C4' energy: -37.493
flat angles P-C4'-P energy: -30.431
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: 4, replica: 3
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -569.341524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.341524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.341524 (E_RNA)
where:
Base-Base interactions energy: -372.684
where: short stacking energy: -177.458
Base-Backbone interact. energy: -0.152
local terms energy: -196.505822
where:
bonds (distance) C4'-P energy: -37.548
bonds (distance) P-C4' energy: -31.190
flat angles C4'-P-C4' energy: -42.528
flat angles P-C4'-P energy: -30.158
tors. eta vs tors. theta energy: -55.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -550.213935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.213935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.213935 (E_RNA)
where:
Base-Base interactions energy: -350.237
where: short stacking energy: -177.539
Base-Backbone interact. energy: 0.534
local terms energy: -200.511571
where:
bonds (distance) C4'-P energy: -35.087
bonds (distance) P-C4' energy: -36.694
flat angles C4'-P-C4' energy: -38.542
flat angles P-C4'-P energy: -30.084
tors. eta vs tors. theta energy: -60.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -284.954227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.954227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.954227 (E_RNA)
where:
Base-Base interactions energy: -142.589
where: short stacking energy: -70.694
Base-Backbone interact. energy: -1.859
local terms energy: -140.506636
where:
bonds (distance) C4'-P energy: -42.693
bonds (distance) P-C4' energy: -36.029
flat angles C4'-P-C4' energy: -27.209
flat angles P-C4'-P energy: -27.975
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: 7, replica: 2
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -393.337768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.337768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.337768 (E_RNA)
where:
Base-Base interactions energy: -243.561
where: short stacking energy: -100.996
Base-Backbone interact. energy: 1.421
local terms energy: -151.198086
where:
bonds (distance) C4'-P energy: -35.627
bonds (distance) P-C4' energy: -37.275
flat angles C4'-P-C4' energy: -38.384
flat angles P-C4'-P energy: -22.326
tors. eta vs tors. theta energy: -17.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -187.641045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.641045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.641045 (E_RNA)
where:
Base-Base interactions energy: -65.162
where: short stacking energy: -59.591
Base-Backbone interact. energy: -0.562
local terms energy: -121.917337
where:
bonds (distance) C4'-P energy: -40.698
bonds (distance) P-C4' energy: -31.437
flat angles C4'-P-C4' energy: -31.203
flat angles P-C4'-P energy: -16.096
tors. eta vs tors. theta energy: -2.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -185.509834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.509834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.509834 (E_RNA)
where:
Base-Base interactions energy: -69.781
where: short stacking energy: -36.244
Base-Backbone interact. energy: -0.230
local terms energy: -115.498331
where:
bonds (distance) C4'-P energy: -31.993
bonds (distance) P-C4' energy: -30.412
flat angles C4'-P-C4' energy: -36.215
flat angles P-C4'-P energy: -19.757
tors. eta vs tors. theta energy: 2.877
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: 8
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -187.066647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.066647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.066647 (E_RNA)
where:
Base-Base interactions energy: -64.332
where: short stacking energy: -58.340
Base-Backbone interact. energy: -0.263
local terms energy: -122.472153
where:
bonds (distance) C4'-P energy: -38.708
bonds (distance) P-C4' energy: -35.660
flat angles C4'-P-C4' energy: -28.645
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -5.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -663.430423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.430423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.430423 (E_RNA)
where:
Base-Base interactions energy: -441.698
where: short stacking energy: -207.828
Base-Backbone interact. energy: -0.346
local terms energy: -221.386171
where:
bonds (distance) C4'-P energy: -46.034
bonds (distance) P-C4' energy: -41.569
flat angles C4'-P-C4' energy: -39.001
flat angles P-C4'-P energy: -23.977
tors. eta vs tors. theta energy: -70.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -586.376923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.376923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.376923 (E_RNA)
where:
Base-Base interactions energy: -408.108
where: short stacking energy: -178.218
Base-Backbone interact. energy: -1.294
local terms energy: -176.975121
where:
bonds (distance) C4'-P energy: -39.819
bonds (distance) P-C4' energy: -36.060
flat angles C4'-P-C4' energy: -35.765
flat angles P-C4'-P energy: -25.365
tors. eta vs tors. theta energy: -39.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -590.547875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.547875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.547875 (E_RNA)
where:
Base-Base interactions energy: -391.194
where: short stacking energy: -169.248
Base-Backbone interact. energy: -0.740
local terms energy: -198.614437
where:
bonds (distance) C4'-P energy: -41.635
bonds (distance) P-C4' energy: -42.000
flat angles C4'-P-C4' energy: -39.964
flat angles P-C4'-P energy: -26.671
tors. eta vs tors. theta energy: -48.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -579.704097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.704097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.704097 (E_RNA)
where:
Base-Base interactions energy: -377.691
where: short stacking energy: -171.416
Base-Backbone interact. energy: -0.165
local terms energy: -201.848611
where:
bonds (distance) C4'-P energy: -35.325
bonds (distance) P-C4' energy: -41.566
flat angles C4'-P-C4' energy: -42.279
flat angles P-C4'-P energy: -31.761
tors. eta vs tors. theta energy: -50.917
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: 4
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -547.063291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.063291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.063291 (E_RNA)
where:
Base-Base interactions energy: -343.623
where: short stacking energy: -179.337
Base-Backbone interact. energy: -0.214
local terms energy: -203.226027
where:
bonds (distance) C4'-P energy: -39.344
bonds (distance) P-C4' energy: -42.303
flat angles C4'-P-C4' energy: -41.572
flat angles P-C4'-P energy: -23.745
tors. eta vs tors. theta energy: -56.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -397.158674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.158674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.158674 (E_RNA)
where:
Base-Base interactions energy: -241.913
where: short stacking energy: -122.045
Base-Backbone interact. energy: -0.669
local terms energy: -154.576797
where:
bonds (distance) C4'-P energy: -31.355
bonds (distance) P-C4' energy: -30.635
flat angles C4'-P-C4' energy: -36.026
flat angles P-C4'-P energy: -25.685
tors. eta vs tors. theta energy: -30.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -263.505937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.505937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.505937 (E_RNA)
where:
Base-Base interactions energy: -141.883
where: short stacking energy: -79.984
Base-Backbone interact. energy: -0.785
local terms energy: -120.838119
where:
bonds (distance) C4'-P energy: -31.487
bonds (distance) P-C4' energy: -34.275
flat angles C4'-P-C4' energy: -33.950
flat angles P-C4'-P energy: -22.816
tors. eta vs tors. theta energy: 1.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -202.831393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.831393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.831393 (E_RNA)
where:
Base-Base interactions energy: -93.136
where: short stacking energy: -44.239
Base-Backbone interact. energy: -1.778
local terms energy: -107.917492
where:
bonds (distance) C4'-P energy: -25.195
bonds (distance) P-C4' energy: -31.539
flat angles C4'-P-C4' energy: -35.967
flat angles P-C4'-P energy: -14.336
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: 10
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -177.432213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.432213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.432213 (E_RNA)
where:
Base-Base interactions energy: -73.313
where: short stacking energy: -71.947
Base-Backbone interact. energy: -0.493
local terms energy: -103.625671
where:
bonds (distance) C4'-P energy: -29.377
bonds (distance) P-C4' energy: -35.813
flat angles C4'-P-C4' energy: -27.456
flat angles P-C4'-P energy: -4.082
tors. eta vs tors. theta energy: -6.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -176.945600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.945600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.945600 (E_RNA)
where:
Base-Base interactions energy: -55.354
where: short stacking energy: -29.149
Base-Backbone interact. energy: -0.070
local terms energy: -121.522219
where:
bonds (distance) C4'-P energy: -31.942
bonds (distance) P-C4' energy: -44.085
flat angles C4'-P-C4' energy: -34.711
flat angles P-C4'-P energy: -19.342
tors. eta vs tors. theta energy: 8.557
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: 7
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -664.321389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.321389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.321389 (E_RNA)
where:
Base-Base interactions energy: -441.734
where: short stacking energy: -197.177
Base-Backbone interact. energy: -1.394
local terms energy: -221.193108
where:
bonds (distance) C4'-P energy: -43.565
bonds (distance) P-C4' energy: -40.400
flat angles C4'-P-C4' energy: -44.569
flat angles P-C4'-P energy: -29.044
tors. eta vs tors. theta energy: -63.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -618.366637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.366637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.366637 (E_RNA)
where:
Base-Base interactions energy: -417.469
where: short stacking energy: -182.732
Base-Backbone interact. energy: -0.585
local terms energy: -200.313055
where:
bonds (distance) C4'-P energy: -38.122
bonds (distance) P-C4' energy: -39.142
flat angles C4'-P-C4' energy: -39.589
flat angles P-C4'-P energy: -32.463
tors. eta vs tors. theta energy: -50.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -611.646973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.646973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.646973 (E_RNA)
where:
Base-Base interactions energy: -404.046
where: short stacking energy: -180.102
Base-Backbone interact. energy: -0.301
local terms energy: -207.299712
where:
bonds (distance) C4'-P energy: -38.846
bonds (distance) P-C4' energy: -42.051
flat angles C4'-P-C4' energy: -41.815
flat angles P-C4'-P energy: -29.918
tors. eta vs tors. theta energy: -54.671
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: 3
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -556.709512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.709512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.709512 (E_RNA)
where:
Base-Base interactions energy: -354.940
where: short stacking energy: -162.983
Base-Backbone interact. energy: -0.117
local terms energy: -201.652633
where:
bonds (distance) C4'-P energy: -37.228
bonds (distance) P-C4' energy: -37.458
flat angles C4'-P-C4' energy: -41.321
flat angles P-C4'-P energy: -31.325
tors. eta vs tors. theta energy: -54.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -536.864415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.864415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.864415 (E_RNA)
where:
Base-Base interactions energy: -325.502
where: short stacking energy: -165.187
Base-Backbone interact. energy: -0.108
local terms energy: -211.254829
where:
bonds (distance) C4'-P energy: -40.088
bonds (distance) P-C4' energy: -41.239
flat angles C4'-P-C4' energy: -47.804
flat angles P-C4'-P energy: -25.601
tors. eta vs tors. theta energy: -56.523
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: 2
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -429.861171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.861171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.861171 (E_RNA)
where:
Base-Base interactions energy: -261.048
where: short stacking energy: -130.239
Base-Backbone interact. energy: -0.613
local terms energy: -168.199529
where:
bonds (distance) C4'-P energy: -28.833
bonds (distance) P-C4' energy: -37.257
flat angles C4'-P-C4' energy: -33.034
flat angles P-C4'-P energy: -27.818
tors. eta vs tors. theta energy: -41.257
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: 104
Temperature: 1.200000
Total energy: -241.984099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.984099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.984099 (E_RNA)
where:
Base-Base interactions energy: -102.494
where: short stacking energy: -68.562
Base-Backbone interact. energy: -1.755
local terms energy: -137.734795
where:
bonds (distance) C4'-P energy: -37.866
bonds (distance) P-C4' energy: -32.621
flat angles C4'-P-C4' energy: -27.853
flat angles P-C4'-P energy: -25.704
tors. eta vs tors. theta energy: -13.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -199.558512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.558512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.558512 (E_RNA)
where:
Base-Base interactions energy: -63.645
where: short stacking energy: -46.369
Base-Backbone interact. energy: -2.371
local terms energy: -133.541717
where:
bonds (distance) C4'-P energy: -35.351
bonds (distance) P-C4' energy: -36.533
flat angles C4'-P-C4' energy: -40.809
flat angles P-C4'-P energy: -19.358
tors. eta vs tors. theta energy: -1.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -176.078216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.078216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.078216 (E_RNA)
where:
Base-Base interactions energy: -72.430
where: short stacking energy: -38.829
Base-Backbone interact. energy: -0.682
local terms energy: -102.966556
where:
bonds (distance) C4'-P energy: -33.515
bonds (distance) P-C4' energy: -34.676
flat angles C4'-P-C4' energy: -32.708
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: 9.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -168.184051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.184051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.184051 (E_RNA)
where:
Base-Base interactions energy: -61.553
where: short stacking energy: -42.703
Base-Backbone interact. energy: -0.557
local terms energy: -106.074915
where:
bonds (distance) C4'-P energy: -37.097
bonds (distance) P-C4' energy: -32.721
flat angles C4'-P-C4' energy: -23.408
flat angles P-C4'-P energy: -18.258
tors. eta vs tors. theta energy: 5.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -657.737548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.737548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.737548 (E_RNA)
where:
Base-Base interactions energy: -440.147
where: short stacking energy: -188.003
Base-Backbone interact. energy: -0.835
local terms energy: -216.754817
where:
bonds (distance) C4'-P energy: -39.657
bonds (distance) P-C4' energy: -40.492
flat angles C4'-P-C4' energy: -44.621
flat angles P-C4'-P energy: -29.964
tors. eta vs tors. theta energy: -62.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -630.802904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.802904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.802904 (E_RNA)
where:
Base-Base interactions energy: -417.139
where: short stacking energy: -198.023
Base-Backbone interact. energy: -1.129
local terms energy: -212.534952
where:
bonds (distance) C4'-P energy: -36.580
bonds (distance) P-C4' energy: -41.661
flat angles C4'-P-C4' energy: -50.712
flat angles P-C4'-P energy: -30.151
tors. eta vs tors. theta energy: -53.430
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: 3, replica: 5
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -624.354436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.354436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.354436 (E_RNA)
where:
Base-Base interactions energy: -433.121
where: short stacking energy: -180.470
Base-Backbone interact. energy: 0.759
local terms energy: -191.991677
where:
bonds (distance) C4'-P energy: -35.866
bonds (distance) P-C4' energy: -39.094
flat angles C4'-P-C4' energy: -41.160
flat angles P-C4'-P energy: -26.350
tors. eta vs tors. theta energy: -49.522
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: 3
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -529.693301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.693301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.693301 (E_RNA)
where:
Base-Base interactions energy: -346.874
where: short stacking energy: -157.187
Base-Backbone interact. energy: -0.943
local terms energy: -181.876013
where:
bonds (distance) C4'-P energy: -25.694
bonds (distance) P-C4' energy: -42.327
flat angles C4'-P-C4' energy: -38.991
flat angles P-C4'-P energy: -25.428
tors. eta vs tors. theta energy: -49.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -535.464522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.464522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.464522 (E_RNA)
where:
Base-Base interactions energy: -333.885
where: short stacking energy: -173.774
Base-Backbone interact. energy: -0.729
local terms energy: -200.850029
where:
bonds (distance) C4'-P energy: -35.616
bonds (distance) P-C4' energy: -43.405
flat angles C4'-P-C4' energy: -39.865
flat angles P-C4'-P energy: -28.554
tors. eta vs tors. theta energy: -53.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -387.585496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.585496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.585496 (E_RNA)
where:
Base-Base interactions energy: -227.315
where: short stacking energy: -110.265
Base-Backbone interact. energy: -0.504
local terms energy: -159.766826
where:
bonds (distance) C4'-P energy: -31.529
bonds (distance) P-C4' energy: -35.311
flat angles C4'-P-C4' energy: -33.913
flat angles P-C4'-P energy: -26.724
tors. eta vs tors. theta energy: -32.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -210.578062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.578062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.578062 (E_RNA)
where:
Base-Base interactions energy: -102.928
where: short stacking energy: -52.763
Base-Backbone interact. energy: -1.369
local terms energy: -106.281152
where:
bonds (distance) C4'-P energy: -26.091
bonds (distance) P-C4' energy: -36.440
flat angles C4'-P-C4' energy: -27.669
flat angles P-C4'-P energy: -17.791
tors. eta vs tors. theta energy: 1.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -200.929316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.929316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.929316 (E_RNA)
where:
Base-Base interactions energy: -79.967
where: short stacking energy: -68.422
Base-Backbone interact. energy: 0.198
local terms energy: -121.160761
where:
bonds (distance) C4'-P energy: -37.698
bonds (distance) P-C4' energy: -30.241
flat angles C4'-P-C4' energy: -34.168
flat angles P-C4'-P energy: -23.379
tors. eta vs tors. theta energy: 4.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -174.685796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.685796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.685796 (E_RNA)
where:
Base-Base interactions energy: -59.239
where: short stacking energy: -53.621
Base-Backbone interact. energy: 0.170
local terms energy: -115.617060
where:
bonds (distance) C4'-P energy: -29.424
bonds (distance) P-C4' energy: -32.044
flat angles C4'-P-C4' energy: -33.689
flat angles P-C4'-P energy: -18.011
tors. eta vs tors. theta energy: -2.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -214.332820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.332820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.332820 (E_RNA)
where:
Base-Base interactions energy: -90.478
where: short stacking energy: -53.796
Base-Backbone interact. energy: -0.815
local terms energy: -123.040226
where:
bonds (distance) C4'-P energy: -37.694
bonds (distance) P-C4' energy: -32.944
flat angles C4'-P-C4' energy: -23.166
flat angles P-C4'-P energy: -25.211
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: 1, replica: 7
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -651.534203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.534203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.534203 (E_RNA)
where:
Base-Base interactions energy: -433.203
where: short stacking energy: -185.797
Base-Backbone interact. energy: -1.775
local terms energy: -216.556894
where:
bonds (distance) C4'-P energy: -33.233
bonds (distance) P-C4' energy: -39.702
flat angles C4'-P-C4' energy: -47.015
flat angles P-C4'-P energy: -34.056
tors. eta vs tors. theta energy: -62.552
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: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -633.841508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.841508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.841508 (E_RNA)
where:
Base-Base interactions energy: -427.325
where: short stacking energy: -189.965
Base-Backbone interact. energy: -1.349
local terms energy: -205.167818
where:
bonds (distance) C4'-P energy: -35.285
bonds (distance) P-C4' energy: -39.254
flat angles C4'-P-C4' energy: -42.472
flat angles P-C4'-P energy: -35.624
tors. eta vs tors. theta energy: -52.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -621.854066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.854066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.854066 (E_RNA)
where:
Base-Base interactions energy: -421.689
where: short stacking energy: -178.088
Base-Backbone interact. energy: -0.621
local terms energy: -199.544196
where:
bonds (distance) C4'-P energy: -33.270
bonds (distance) P-C4' energy: -41.820
flat angles C4'-P-C4' energy: -41.337
flat angles P-C4'-P energy: -28.584
tors. eta vs tors. theta energy: -54.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -532.286192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.286192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.286192 (E_RNA)
where:
Base-Base interactions energy: -349.721
where: short stacking energy: -165.121
Base-Backbone interact. energy: -0.792
local terms energy: -181.773316
where:
bonds (distance) C4'-P energy: -32.656
bonds (distance) P-C4' energy: -31.917
flat angles C4'-P-C4' energy: -41.134
flat angles P-C4'-P energy: -22.787
tors. eta vs tors. theta energy: -53.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -511.069966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.069966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.069966 (E_RNA)
where:
Base-Base interactions energy: -325.205
where: short stacking energy: -160.138
Base-Backbone interact. energy: -2.583
local terms energy: -183.281303
where:
bonds (distance) C4'-P energy: -41.284
bonds (distance) P-C4' energy: -30.540
flat angles C4'-P-C4' energy: -34.812
flat angles P-C4'-P energy: -23.696
tors. eta vs tors. theta energy: -52.949
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: 2
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -431.505080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.505080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.505080 (E_RNA)
where:
Base-Base interactions energy: -274.441
where: short stacking energy: -133.301
Base-Backbone interact. energy: -1.004
local terms energy: -156.060580
where:
bonds (distance) C4'-P energy: -30.849
bonds (distance) P-C4' energy: -32.138
flat angles C4'-P-C4' energy: -34.280
flat angles P-C4'-P energy: -21.081
tors. eta vs tors. theta energy: -37.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -206.977284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.977284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.977284 (E_RNA)
where:
Base-Base interactions energy: -72.762
where: short stacking energy: -71.361
Base-Backbone interact. energy: 1.668
local terms energy: -135.883636
where:
bonds (distance) C4'-P energy: -27.608
bonds (distance) P-C4' energy: -41.481
flat angles C4'-P-C4' energy: -32.733
flat angles P-C4'-P energy: -25.572
tors. eta vs tors. theta energy: -8.490
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: 9
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -183.216612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.216612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.216612 (E_RNA)
where:
Base-Base interactions energy: -55.781
where: short stacking energy: -50.970
Base-Backbone interact. energy: -0.957
local terms energy: -126.478443
where:
bonds (distance) C4'-P energy: -30.653
bonds (distance) P-C4' energy: -38.332
flat angles C4'-P-C4' energy: -25.521
flat angles P-C4'-P energy: -25.702
tors. eta vs tors. theta energy: -6.271
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: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -178.279954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.279954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.279954 (E_RNA)
where:
Base-Base interactions energy: -73.034
where: short stacking energy: -53.468
Base-Backbone interact. energy: 0.944
local terms energy: -106.189714
where:
bonds (distance) C4'-P energy: -31.846
bonds (distance) P-C4' energy: -30.104
flat angles C4'-P-C4' energy: -31.814
flat angles P-C4'-P energy: -15.585
tors. eta vs tors. theta energy: 3.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -168.300057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.300057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.300057 (E_RNA)
where:
Base-Base interactions energy: -56.829
where: short stacking energy: -48.035
Base-Backbone interact. energy: 1.348
local terms energy: -112.819124
where:
bonds (distance) C4'-P energy: -30.702
bonds (distance) P-C4' energy: -41.977
flat angles C4'-P-C4' energy: -26.114
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -1.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -665.429715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.429715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.429715 (E_RNA)
where:
Base-Base interactions energy: -444.310
where: short stacking energy: -193.097
Base-Backbone interact. energy: -1.777
local terms energy: -219.342190
where:
bonds (distance) C4'-P energy: -36.444
bonds (distance) P-C4' energy: -45.535
flat angles C4'-P-C4' energy: -46.660
flat angles P-C4'-P energy: -34.215
tors. eta vs tors. theta energy: -56.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -617.361362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.361362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.361362 (E_RNA)
where:
Base-Base interactions energy: -413.806
where: short stacking energy: -187.694
Base-Backbone interact. energy: -1.775
local terms energy: -201.780528
where:
bonds (distance) C4'-P energy: -31.931
bonds (distance) P-C4' energy: -42.116
flat angles C4'-P-C4' energy: -45.201
flat angles P-C4'-P energy: -31.345
tors. eta vs tors. theta energy: -51.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -605.781581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.781581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.781581 (E_RNA)
where:
Base-Base interactions energy: -406.937
where: short stacking energy: -172.693
Base-Backbone interact. energy: -0.268
local terms energy: -198.576718
where:
bonds (distance) C4'-P energy: -42.974
bonds (distance) P-C4' energy: -42.931
flat angles C4'-P-C4' energy: -39.937
flat angles P-C4'-P energy: -25.434
tors. eta vs tors. theta energy: -47.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -538.644579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.644579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.644579 (E_RNA)
where:
Base-Base interactions energy: -330.949
where: short stacking energy: -167.211
Base-Backbone interact. energy: -0.341
local terms energy: -207.354800
where:
bonds (distance) C4'-P energy: -38.864
bonds (distance) P-C4' energy: -44.300
flat angles C4'-P-C4' energy: -41.021
flat angles P-C4'-P energy: -32.646
tors. eta vs tors. theta energy: -50.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -500.693598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.693598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.693598 (E_RNA)
where:
Base-Base interactions energy: -322.289
where: short stacking energy: -142.550
Base-Backbone interact. energy: -1.565
local terms energy: -176.839605
where:
bonds (distance) C4'-P energy: -36.078
bonds (distance) P-C4' energy: -42.417
flat angles C4'-P-C4' energy: -35.710
flat angles P-C4'-P energy: -24.404
tors. eta vs tors. theta energy: -38.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -428.475279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.475279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.475279 (E_RNA)
where:
Base-Base interactions energy: -281.498
where: short stacking energy: -123.254
Base-Backbone interact. energy: -0.985
local terms energy: -145.991816
where:
bonds (distance) C4'-P energy: -25.008
bonds (distance) P-C4' energy: -37.404
flat angles C4'-P-C4' energy: -33.196
flat angles P-C4'-P energy: -18.213
tors. eta vs tors. theta energy: -32.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -214.944240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.944240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.944240 (E_RNA)
where:
Base-Base interactions energy: -73.610
where: short stacking energy: -59.291
Base-Backbone interact. energy: -1.559
local terms energy: -139.775347
where:
bonds (distance) C4'-P energy: -33.356
bonds (distance) P-C4' energy: -35.926
flat angles C4'-P-C4' energy: -30.990
flat angles P-C4'-P energy: -29.550
tors. eta vs tors. theta energy: -9.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -203.824167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.824167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.824167 (E_RNA)
where:
Base-Base interactions energy: -74.193
where: short stacking energy: -62.687
Base-Backbone interact. energy: 0.774
local terms energy: -130.405411
where:
bonds (distance) C4'-P energy: -31.019
bonds (distance) P-C4' energy: -36.056
flat angles C4'-P-C4' energy: -28.037
flat angles P-C4'-P energy: -24.764
tors. eta vs tors. theta energy: -10.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -177.508139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.508139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.508139 (E_RNA)
where:
Base-Base interactions energy: -88.299
where: short stacking energy: -57.368
Base-Backbone interact. energy: -0.611
local terms energy: -88.597935
where:
bonds (distance) C4'-P energy: -24.005
bonds (distance) P-C4' energy: -27.127
flat angles C4'-P-C4' energy: -21.522
flat angles P-C4'-P energy: -15.857
tors. eta vs tors. theta energy: -0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -175.840489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.840489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.840489 (E_RNA)
where:
Base-Base interactions energy: -53.131
where: short stacking energy: -47.958
Base-Backbone interact. energy: -0.491
local terms energy: -122.218334
where:
bonds (distance) C4'-P energy: -32.789
bonds (distance) P-C4' energy: -35.597
flat angles C4'-P-C4' energy: -34.562
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -5.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -647.004661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.004661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.004661 (E_RNA)
where:
Base-Base interactions energy: -433.804
where: short stacking energy: -179.255
Base-Backbone interact. energy: -1.814
local terms energy: -211.386335
where:
bonds (distance) C4'-P energy: -41.372
bonds (distance) P-C4' energy: -37.705
flat angles C4'-P-C4' energy: -47.609
flat angles P-C4'-P energy: -32.203
tors. eta vs tors. theta energy: -52.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -610.871856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.871856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.871856 (E_RNA)
where:
Base-Base interactions energy: -394.657
where: short stacking energy: -169.172
Base-Backbone interact. energy: -2.844
local terms energy: -213.370342
where:
bonds (distance) C4'-P energy: -39.450
bonds (distance) P-C4' energy: -39.137
flat angles C4'-P-C4' energy: -45.212
flat angles P-C4'-P energy: -31.561
tors. eta vs tors. theta energy: -58.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -623.961305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.961305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.961305 (E_RNA)
where:
Base-Base interactions energy: -414.748
where: short stacking energy: -185.391
Base-Backbone interact. energy: -0.521
local terms energy: -208.692137
where:
bonds (distance) C4'-P energy: -38.043
bonds (distance) P-C4' energy: -36.380
flat angles C4'-P-C4' energy: -43.523
flat angles P-C4'-P energy: -32.077
tors. eta vs tors. theta energy: -58.669
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: 4
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -549.447768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.447768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.447768 (E_RNA)
where:
Base-Base interactions energy: -348.350
where: short stacking energy: -185.901
Base-Backbone interact. energy: -0.040
local terms energy: -201.057645
where:
bonds (distance) C4'-P energy: -33.175
bonds (distance) P-C4' energy: -37.992
flat angles C4'-P-C4' energy: -42.441
flat angles P-C4'-P energy: -31.780
tors. eta vs tors. theta energy: -55.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -495.615759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.615759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.615759 (E_RNA)
where:
Base-Base interactions energy: -320.272
where: short stacking energy: -152.211
Base-Backbone interact. energy: -0.025
local terms energy: -175.317894
where:
bonds (distance) C4'-P energy: -40.298
bonds (distance) P-C4' energy: -40.521
flat angles C4'-P-C4' energy: -37.342
flat angles P-C4'-P energy: -15.644
tors. eta vs tors. theta energy: -41.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -418.458581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.458581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.458581 (E_RNA)
where:
Base-Base interactions energy: -265.891
where: short stacking energy: -105.141
Base-Backbone interact. energy: -0.763
local terms energy: -151.804611
where:
bonds (distance) C4'-P energy: -33.844
bonds (distance) P-C4' energy: -37.805
flat angles C4'-P-C4' energy: -39.596
flat angles P-C4'-P energy: -18.818
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: 8
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -224.977966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.977966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.977966 (E_RNA)
where:
Base-Base interactions energy: -87.982
where: short stacking energy: -55.549
Base-Backbone interact. energy: 0.025
local terms energy: -137.020698
where:
bonds (distance) C4'-P energy: -32.459
bonds (distance) P-C4' energy: -44.054
flat angles C4'-P-C4' energy: -39.893
flat angles P-C4'-P energy: -18.306
tors. eta vs tors. theta energy: -2.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -206.828779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.828779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.828779 (E_RNA)
where:
Base-Base interactions energy: -90.598
where: short stacking energy: -64.916
Base-Backbone interact. energy: 0.587
local terms energy: -116.817899
where:
bonds (distance) C4'-P energy: -29.592
bonds (distance) P-C4' energy: -36.401
flat angles C4'-P-C4' energy: -36.282
flat angles P-C4'-P energy: -15.249
tors. eta vs tors. theta energy: 0.705
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: 10
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -175.852698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.852698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.852698 (E_RNA)
where:
Base-Base interactions energy: -62.181
where: short stacking energy: -53.712
Base-Backbone interact. energy: -0.303
local terms energy: -113.368319
where:
bonds (distance) C4'-P energy: -39.349
bonds (distance) P-C4' energy: -31.747
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -22.688
tors. eta vs tors. theta energy: -1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -172.058057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.058057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.058057 (E_RNA)
where:
Base-Base interactions energy: -49.506
where: short stacking energy: -45.152
Base-Backbone interact. energy: -0.597
local terms energy: -121.954918
where:
bonds (distance) C4'-P energy: -36.351
bonds (distance) P-C4' energy: -38.445
flat angles C4'-P-C4' energy: -25.655
flat angles P-C4'-P energy: -24.425
tors. eta vs tors. theta energy: 2.920
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: 1, replica: 7
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -661.480988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.480988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.480988 (E_RNA)
where:
Base-Base interactions energy: -444.974
where: short stacking energy: -196.093
Base-Backbone interact. energy: -0.916
local terms energy: -215.590874
where:
bonds (distance) C4'-P energy: -40.996
bonds (distance) P-C4' energy: -41.615
flat angles C4'-P-C4' energy: -43.676
flat angles P-C4'-P energy: -31.301
tors. eta vs tors. theta energy: -58.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -612.858937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.858937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.858937 (E_RNA)
where:
Base-Base interactions energy: -411.389
where: short stacking energy: -181.784
Base-Backbone interact. energy: -2.276
local terms energy: -199.193920
where:
bonds (distance) C4'-P energy: -38.586
bonds (distance) P-C4' energy: -35.494
flat angles C4'-P-C4' energy: -46.907
flat angles P-C4'-P energy: -30.372
tors. eta vs tors. theta energy: -47.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -613.934061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.934061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.934061 (E_RNA)
where:
Base-Base interactions energy: -421.018
where: short stacking energy: -182.985
Base-Backbone interact. energy: -0.618
local terms energy: -192.297932
where:
bonds (distance) C4'-P energy: -28.001
bonds (distance) P-C4' energy: -41.479
flat angles C4'-P-C4' energy: -43.376
flat angles P-C4'-P energy: -21.210
tors. eta vs tors. theta energy: -58.232
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: 4
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -525.912761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.912761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.912761 (E_RNA)
where:
Base-Base interactions energy: -333.590
where: short stacking energy: -162.681
Base-Backbone interact. energy: 0.133
local terms energy: -192.455983
where:
bonds (distance) C4'-P energy: -36.761
bonds (distance) P-C4' energy: -36.171
flat angles C4'-P-C4' energy: -43.360
flat angles P-C4'-P energy: -26.132
tors. eta vs tors. theta energy: -50.032
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: 109
Temperature: 1.100000
Total energy: -502.699491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.699491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.699491 (E_RNA)
where:
Base-Base interactions energy: -319.660
where: short stacking energy: -136.695
Base-Backbone interact. energy: -1.001
local terms energy: -182.039066
where:
bonds (distance) C4'-P energy: -43.283
bonds (distance) P-C4' energy: -36.439
flat angles C4'-P-C4' energy: -40.318
flat angles P-C4'-P energy: -21.724
tors. eta vs tors. theta energy: -40.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -452.148350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.148350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.148350 (E_RNA)
where:
Base-Base interactions energy: -286.979
where: short stacking energy: -129.841
Base-Backbone interact. energy: 0.038
local terms energy: -165.207433
where:
bonds (distance) C4'-P energy: -41.520
bonds (distance) P-C4' energy: -37.478
flat angles C4'-P-C4' energy: -29.850
flat angles P-C4'-P energy: -26.207
tors. eta vs tors. theta energy: -30.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -235.041643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.041643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.041643 (E_RNA)
where:
Base-Base interactions energy: -96.683
where: short stacking energy: -57.443
Base-Backbone interact. energy: 0.751
local terms energy: -139.109939
where:
bonds (distance) C4'-P energy: -34.007
bonds (distance) P-C4' energy: -39.120
flat angles C4'-P-C4' energy: -39.475
flat angles P-C4'-P energy: -21.112
tors. eta vs tors. theta energy: -5.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -198.854866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.854866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.854866 (E_RNA)
where:
Base-Base interactions energy: -81.341
where: short stacking energy: -58.892
Base-Backbone interact. energy: 0.774
local terms energy: -118.288092
where:
bonds (distance) C4'-P energy: -35.178
bonds (distance) P-C4' energy: -40.558
flat angles C4'-P-C4' energy: -29.188
flat angles P-C4'-P energy: -19.800
tors. eta vs tors. theta energy: 6.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -179.090675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.090675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.090675 (E_RNA)
where:
Base-Base interactions energy: -61.353
where: short stacking energy: -39.416
Base-Backbone interact. energy: -0.429
local terms energy: -117.308884
where:
bonds (distance) C4'-P energy: -44.605
bonds (distance) P-C4' energy: -35.022
flat angles C4'-P-C4' energy: -28.113
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: 0.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -184.732480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.732480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.732480 (E_RNA)
where:
Base-Base interactions energy: -68.960
where: short stacking energy: -53.481
Base-Backbone interact. energy: -0.238
local terms energy: -115.534191
where:
bonds (distance) C4'-P energy: -32.012
bonds (distance) P-C4' energy: -37.406
flat angles C4'-P-C4' energy: -27.615
flat angles P-C4'-P energy: -16.446
tors. eta vs tors. theta energy: -2.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -665.353796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.353796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.353796 (E_RNA)
where:
Base-Base interactions energy: -447.238
where: short stacking energy: -196.146
Base-Backbone interact. energy: -0.602
local terms energy: -217.513212
where:
bonds (distance) C4'-P energy: -40.302
bonds (distance) P-C4' energy: -37.948
flat angles C4'-P-C4' energy: -47.605
flat angles P-C4'-P energy: -37.891
tors. eta vs tors. theta energy: -53.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -608.004637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.004637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.004637 (E_RNA)
where:
Base-Base interactions energy: -410.955
where: short stacking energy: -172.313
Base-Backbone interact. energy: -1.547
local terms energy: -195.503030
where:
bonds (distance) C4'-P energy: -35.590
bonds (distance) P-C4' energy: -40.248
flat angles C4'-P-C4' energy: -40.461
flat angles P-C4'-P energy: -30.100
tors. eta vs tors. theta energy: -49.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -608.719259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.719259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.719259 (E_RNA)
where:
Base-Base interactions energy: -402.960
where: short stacking energy: -178.991
Base-Backbone interact. energy: -0.590
local terms energy: -205.168989
where:
bonds (distance) C4'-P energy: -36.933
bonds (distance) P-C4' energy: -41.176
flat angles C4'-P-C4' energy: -46.605
flat angles P-C4'-P energy: -27.331
tors. eta vs tors. theta energy: -53.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -547.826432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.826432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.826432 (E_RNA)
where:
Base-Base interactions energy: -349.352
where: short stacking energy: -180.999
Base-Backbone interact. energy: -0.442
local terms energy: -198.032557
where:
bonds (distance) C4'-P energy: -37.028
bonds (distance) P-C4' energy: -40.192
flat angles C4'-P-C4' energy: -44.605
flat angles P-C4'-P energy: -23.702
tors. eta vs tors. theta energy: -52.505
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: 5, replica: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -485.104313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.104313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.104313 (E_RNA)
where:
Base-Base interactions energy: -313.166
where: short stacking energy: -133.755
Base-Backbone interact. energy: 0.591
local terms energy: -172.529274
where:
bonds (distance) C4'-P energy: -38.219
bonds (distance) P-C4' energy: -37.576
flat angles C4'-P-C4' energy: -36.886
flat angles P-C4'-P energy: -21.524
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: 6, replica: 2
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -441.412869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.412869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.412869 (E_RNA)
where:
Base-Base interactions energy: -274.445
where: short stacking energy: -124.149
Base-Backbone interact. energy: -0.196
local terms energy: -166.771982
where:
bonds (distance) C4'-P energy: -34.875
bonds (distance) P-C4' energy: -38.447
flat angles C4'-P-C4' energy: -36.591
flat angles P-C4'-P energy: -26.592
tors. eta vs tors. theta energy: -30.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -230.601717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.601717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.601717 (E_RNA)
where:
Base-Base interactions energy: -98.999
where: short stacking energy: -80.554
Base-Backbone interact. energy: -1.481
local terms energy: -130.121443
where:
bonds (distance) C4'-P energy: -33.451
bonds (distance) P-C4' energy: -35.074
flat angles C4'-P-C4' energy: -22.986
flat angles P-C4'-P energy: -28.071
tors. eta vs tors. theta energy: -10.539
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: 8, replica: 10
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -194.562729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.562729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.562729 (E_RNA)
where:
Base-Base interactions energy: -63.233
where: short stacking energy: -49.096
Base-Backbone interact. energy: -0.281
local terms energy: -131.049227
where:
bonds (distance) C4'-P energy: -40.900
bonds (distance) P-C4' energy: -32.161
flat angles C4'-P-C4' energy: -32.944
flat angles P-C4'-P energy: -18.189
tors. eta vs tors. theta energy: -6.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -184.225183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.225183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.225183 (E_RNA)
where:
Base-Base interactions energy: -54.014
where: short stacking energy: -50.400
Base-Backbone interact. energy: -0.746
local terms energy: -129.465293
where:
bonds (distance) C4'-P energy: -37.719
bonds (distance) P-C4' energy: -29.758
flat angles C4'-P-C4' energy: -36.130
flat angles P-C4'-P energy: -19.703
tors. eta vs tors. theta energy: -6.156
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: 6
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -186.469244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.469244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.469244 (E_RNA)
where:
Base-Base interactions energy: -61.446
where: short stacking energy: -39.155
Base-Backbone interact. energy: 1.171
local terms energy: -126.194315
where:
bonds (distance) C4'-P energy: -39.143
bonds (distance) P-C4' energy: -28.602
flat angles C4'-P-C4' energy: -35.757
flat angles P-C4'-P energy: -23.639
tors. eta vs tors. theta energy: 0.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -657.302116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.302116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.302116 (E_RNA)
where:
Base-Base interactions energy: -443.395
where: short stacking energy: -207.556
Base-Backbone interact. energy: -0.271
local terms energy: -213.635991
where:
bonds (distance) C4'-P energy: -38.635
bonds (distance) P-C4' energy: -43.661
flat angles C4'-P-C4' energy: -44.934
flat angles P-C4'-P energy: -29.152
tors. eta vs tors. theta energy: -57.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -638.466783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.466783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.466783 (E_RNA)
where:
Base-Base interactions energy: -429.603
where: short stacking energy: -201.176
Base-Backbone interact. energy: 3.162
local terms energy: -212.025623
where:
bonds (distance) C4'-P energy: -41.925
bonds (distance) P-C4' energy: -40.784
flat angles C4'-P-C4' energy: -45.389
flat angles P-C4'-P energy: -27.147
tors. eta vs tors. theta energy: -56.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -595.800514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.800514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.800514 (E_RNA)
where:
Base-Base interactions energy: -401.477
where: short stacking energy: -183.183
Base-Backbone interact. energy: -0.613
local terms energy: -193.711048
where:
bonds (distance) C4'-P energy: -44.327
bonds (distance) P-C4' energy: -33.732
flat angles C4'-P-C4' energy: -37.792
flat angles P-C4'-P energy: -24.221
tors. eta vs tors. theta energy: -53.640
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: 4, replica: 4
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -529.256009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.256009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.256009 (E_RNA)
where:
Base-Base interactions energy: -330.547
where: short stacking energy: -160.299
Base-Backbone interact. energy: -0.102
local terms energy: -198.607242
where:
bonds (distance) C4'-P energy: -40.597
bonds (distance) P-C4' energy: -35.498
flat angles C4'-P-C4' energy: -40.666
flat angles P-C4'-P energy: -28.908
tors. eta vs tors. theta energy: -52.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -466.872094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.872094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.872094 (E_RNA)
where:
Base-Base interactions energy: -294.002
where: short stacking energy: -131.546
Base-Backbone interact. energy: -0.448
local terms energy: -172.422326
where:
bonds (distance) C4'-P energy: -25.390
bonds (distance) P-C4' energy: -37.356
flat angles C4'-P-C4' energy: -43.294
flat angles P-C4'-P energy: -29.728
tors. eta vs tors. theta energy: -36.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -415.405278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.405278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.405278 (E_RNA)
where:
Base-Base interactions energy: -260.836
where: short stacking energy: -114.309
Base-Backbone interact. energy: -0.438
local terms energy: -154.130911
where:
bonds (distance) C4'-P energy: -36.193
bonds (distance) P-C4' energy: -32.394
flat angles C4'-P-C4' energy: -43.196
flat angles P-C4'-P energy: -20.463
tors. eta vs tors. theta energy: -21.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -223.363504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.363504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.363504 (E_RNA)
where:
Base-Base interactions energy: -93.448
where: short stacking energy: -51.378
Base-Backbone interact. energy: -0.478
local terms energy: -129.437316
where:
bonds (distance) C4'-P energy: -35.640
bonds (distance) P-C4' energy: -35.363
flat angles C4'-P-C4' energy: -38.070
flat angles P-C4'-P energy: -24.564
tors. eta vs tors. theta energy: 4.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -193.834739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.834739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.834739 (E_RNA)
where:
Base-Base interactions energy: -66.953
where: short stacking energy: -58.812
Base-Backbone interact. energy: 0.227
local terms energy: -127.108943
where:
bonds (distance) C4'-P energy: -30.914
bonds (distance) P-C4' energy: -38.832
flat angles C4'-P-C4' energy: -39.606
flat angles P-C4'-P energy: -17.658
tors. eta vs tors. theta energy: -0.098
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: 9
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -181.542951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.542951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.542951 (E_RNA)
where:
Base-Base interactions energy: -68.025
where: short stacking energy: -54.115
Base-Backbone interact. energy: -0.445
local terms energy: -113.072830
where:
bonds (distance) C4'-P energy: -31.376
bonds (distance) P-C4' energy: -31.780
flat angles C4'-P-C4' energy: -24.102
flat angles P-C4'-P energy: -15.090
tors. eta vs tors. theta energy: -10.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -165.309750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.309750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.309750 (E_RNA)
where:
Base-Base interactions energy: -39.986
where: short stacking energy: -35.670
Base-Backbone interact. energy: -1.677
local terms energy: -123.646661
where:
bonds (distance) C4'-P energy: -35.856
bonds (distance) P-C4' energy: -46.914
flat angles C4'-P-C4' energy: -25.451
flat angles P-C4'-P energy: -24.989
tors. eta vs tors. theta energy: 9.563
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: 5
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -643.731495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.731495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.731495 (E_RNA)
where:
Base-Base interactions energy: -444.526
where: short stacking energy: -190.788
Base-Backbone interact. energy: -1.083
local terms energy: -198.122472
where:
bonds (distance) C4'-P energy: -33.570
bonds (distance) P-C4' energy: -43.120
flat angles C4'-P-C4' energy: -37.770
flat angles P-C4'-P energy: -27.834
tors. eta vs tors. theta energy: -55.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -640.751038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.751038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.751038 (E_RNA)
where:
Base-Base interactions energy: -436.370
where: short stacking energy: -182.178
Base-Backbone interact. energy: -0.716
local terms energy: -203.665033
where:
bonds (distance) C4'-P energy: -33.136
bonds (distance) P-C4' energy: -43.682
flat angles C4'-P-C4' energy: -37.102
flat angles P-C4'-P energy: -31.734
tors. eta vs tors. theta energy: -58.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -604.272142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.272142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.272142 (E_RNA)
where:
Base-Base interactions energy: -405.558
where: short stacking energy: -169.480
Base-Backbone interact. energy: -2.223
local terms energy: -196.490946
where:
bonds (distance) C4'-P energy: -36.839
bonds (distance) P-C4' energy: -40.060
flat angles C4'-P-C4' energy: -36.499
flat angles P-C4'-P energy: -30.402
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: 4, replica: 4
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -532.380678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.380678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.380678 (E_RNA)
where:
Base-Base interactions energy: -339.518
where: short stacking energy: -164.022
Base-Backbone interact. energy: -0.058
local terms energy: -192.804486
where:
bonds (distance) C4'-P energy: -40.741
bonds (distance) P-C4' energy: -34.160
flat angles C4'-P-C4' energy: -39.132
flat angles P-C4'-P energy: -29.078
tors. eta vs tors. theta energy: -49.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -512.082911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.082911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.082911 (E_RNA)
where:
Base-Base interactions energy: -333.769
where: short stacking energy: -142.156
Base-Backbone interact. energy: -0.950
local terms energy: -177.364489
where:
bonds (distance) C4'-P energy: -30.040
bonds (distance) P-C4' energy: -40.553
flat angles C4'-P-C4' energy: -38.999
flat angles P-C4'-P energy: -28.868
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: 6, replica: 2
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -414.252915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.252915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.252915 (E_RNA)
where:
Base-Base interactions energy: -256.884
where: short stacking energy: -103.422
Base-Backbone interact. energy: 0.609
local terms energy: -157.977291
where:
bonds (distance) C4'-P energy: -37.901
bonds (distance) P-C4' energy: -37.996
flat angles C4'-P-C4' energy: -38.101
flat angles P-C4'-P energy: -25.922
tors. eta vs tors. theta energy: -18.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -277.227271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.227271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.227271 (E_RNA)
where:
Base-Base interactions energy: -152.361
where: short stacking energy: -93.085
Base-Backbone interact. energy: 0.282
local terms energy: -125.147575
where:
bonds (distance) C4'-P energy: -27.806
bonds (distance) P-C4' energy: -39.914
flat angles C4'-P-C4' energy: -32.201
flat angles P-C4'-P energy: -19.081
tors. eta vs tors. theta energy: -6.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -196.451294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.451294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.451294 (E_RNA)
where:
Base-Base interactions energy: -71.226
where: short stacking energy: -60.258
Base-Backbone interact. energy: -1.515
local terms energy: -123.709979
where:
bonds (distance) C4'-P energy: -32.543
bonds (distance) P-C4' energy: -28.697
flat angles C4'-P-C4' energy: -40.784
flat angles P-C4'-P energy: -15.774
tors. eta vs tors. theta energy: -5.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -178.440139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.440139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.440139 (E_RNA)
where:
Base-Base interactions energy: -57.497
where: short stacking energy: -45.005
Base-Backbone interact. energy: -0.864
local terms energy: -120.079682
where:
bonds (distance) C4'-P energy: -28.307
bonds (distance) P-C4' energy: -39.900
flat angles C4'-P-C4' energy: -24.319
flat angles P-C4'-P energy: -25.842
tors. eta vs tors. theta energy: -1.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -170.154622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.154622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.154622 (E_RNA)
where:
Base-Base interactions energy: -52.531
where: short stacking energy: -45.839
Base-Backbone interact. energy: 0.551
local terms energy: -118.174883
where:
bonds (distance) C4'-P energy: -27.182
bonds (distance) P-C4' energy: -41.491
flat angles C4'-P-C4' energy: -27.788
flat angles P-C4'-P energy: -22.802
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: 5
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -636.902098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.902098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.902098 (E_RNA)
where:
Base-Base interactions energy: -424.128
where: short stacking energy: -175.232
Base-Backbone interact. energy: -0.814
local terms energy: -211.960311
where:
bonds (distance) C4'-P energy: -38.118
bonds (distance) P-C4' energy: -43.284
flat angles C4'-P-C4' energy: -43.895
flat angles P-C4'-P energy: -27.481
tors. eta vs tors. theta energy: -59.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -641.181868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.181868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.181868 (E_RNA)
where:
Base-Base interactions energy: -441.167
where: short stacking energy: -197.358
Base-Backbone interact. energy: -0.141
local terms energy: -199.873567
where:
bonds (distance) C4'-P energy: -35.308
bonds (distance) P-C4' energy: -27.418
flat angles C4'-P-C4' energy: -45.427
flat angles P-C4'-P energy: -32.881
tors. eta vs tors. theta energy: -58.839
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: 1
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -591.873422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.873422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.873422 (E_RNA)
where:
Base-Base interactions energy: -404.794
where: short stacking energy: -177.043
Base-Backbone interact. energy: -2.005
local terms energy: -185.074464
where:
bonds (distance) C4'-P energy: -32.533
bonds (distance) P-C4' energy: -29.230
flat angles C4'-P-C4' energy: -42.419
flat angles P-C4'-P energy: -32.578
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: 4, replica: 3
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -568.791492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.791492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.791492 (E_RNA)
where:
Base-Base interactions energy: -380.729
where: short stacking energy: -175.082
Base-Backbone interact. energy: -1.409
local terms energy: -186.653279
where:
bonds (distance) C4'-P energy: -35.389
bonds (distance) P-C4' energy: -29.335
flat angles C4'-P-C4' energy: -42.248
flat angles P-C4'-P energy: -28.547
tors. eta vs tors. theta energy: -51.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -521.062609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.062609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.062609 (E_RNA)
where:
Base-Base interactions energy: -329.029
where: short stacking energy: -160.315
Base-Backbone interact. energy: 0.067
local terms energy: -192.100803
where:
bonds (distance) C4'-P energy: -40.940
bonds (distance) P-C4' energy: -36.387
flat angles C4'-P-C4' energy: -36.750
flat angles P-C4'-P energy: -28.023
tors. eta vs tors. theta energy: -50.001
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: 113
Temperature: 1.150000
Total energy: -447.965118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.965118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.965118 (E_RNA)
where:
Base-Base interactions energy: -294.153
where: short stacking energy: -126.778
Base-Backbone interact. energy: -0.547
local terms energy: -153.264879
where:
bonds (distance) C4'-P energy: -28.740
bonds (distance) P-C4' energy: -36.151
flat angles C4'-P-C4' energy: -40.761
flat angles P-C4'-P energy: -21.042
tors. eta vs tors. theta energy: -26.571
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: 8
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -251.238610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.238610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.238610 (E_RNA)
where:
Base-Base interactions energy: -114.237
where: short stacking energy: -74.737
Base-Backbone interact. energy: -0.639
local terms energy: -136.362855
where:
bonds (distance) C4'-P energy: -34.947
bonds (distance) P-C4' energy: -38.040
flat angles C4'-P-C4' energy: -31.833
flat angles P-C4'-P energy: -17.003
tors. eta vs tors. theta energy: -14.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -196.055927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.055927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.055927 (E_RNA)
where:
Base-Base interactions energy: -74.854
where: short stacking energy: -61.101
Base-Backbone interact. energy: -0.533
local terms energy: -120.669320
where:
bonds (distance) C4'-P energy: -35.380
bonds (distance) P-C4' energy: -40.431
flat angles C4'-P-C4' energy: -32.074
flat angles P-C4'-P energy: -18.388
tors. eta vs tors. theta energy: 5.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -205.032697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.032697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.032697 (E_RNA)
where:
Base-Base interactions energy: -80.395
where: short stacking energy: -65.555
Base-Backbone interact. energy: -0.922
local terms energy: -123.715498
where:
bonds (distance) C4'-P energy: -32.988
bonds (distance) P-C4' energy: -38.982
flat angles C4'-P-C4' energy: -37.449
flat angles P-C4'-P energy: -16.339
tors. eta vs tors. theta energy: 2.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -169.370954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.370954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.370954 (E_RNA)
where:
Base-Base interactions energy: -60.978
where: short stacking energy: -39.927
Base-Backbone interact. energy: -1.155
local terms energy: -107.238051
where:
bonds (distance) C4'-P energy: -35.535
bonds (distance) P-C4' energy: -33.000
flat angles C4'-P-C4' energy: -30.319
flat angles P-C4'-P energy: -15.977
tors. eta vs tors. theta energy: 7.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -658.126268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.126268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.126268 (E_RNA)
where:
Base-Base interactions energy: -420.217
where: short stacking energy: -205.654
Base-Backbone interact. energy: -1.832
local terms energy: -236.077462
where:
bonds (distance) C4'-P energy: -40.872
bonds (distance) P-C4' energy: -47.711
flat angles C4'-P-C4' energy: -46.016
flat angles P-C4'-P energy: -34.288
tors. eta vs tors. theta energy: -67.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -641.658094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.658094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.658094 (E_RNA)
where:
Base-Base interactions energy: -429.999
where: short stacking energy: -197.663
Base-Backbone interact. energy: 1.287
local terms energy: -212.946714
where:
bonds (distance) C4'-P energy: -41.781
bonds (distance) P-C4' energy: -37.232
flat angles C4'-P-C4' energy: -42.860
flat angles P-C4'-P energy: -27.421
tors. eta vs tors. theta energy: -63.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -608.794294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.794294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.794294 (E_RNA)
where:
Base-Base interactions energy: -409.431
where: short stacking energy: -173.112
Base-Backbone interact. energy: -0.958
local terms energy: -198.405218
where:
bonds (distance) C4'-P energy: -34.901
bonds (distance) P-C4' energy: -43.352
flat angles C4'-P-C4' energy: -45.465
flat angles P-C4'-P energy: -25.875
tors. eta vs tors. theta energy: -48.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -531.848448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.848448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.848448 (E_RNA)
where:
Base-Base interactions energy: -351.031
where: short stacking energy: -136.115
Base-Backbone interact. energy: -0.032
local terms energy: -180.785396
where:
bonds (distance) C4'-P energy: -39.164
bonds (distance) P-C4' energy: -33.323
flat angles C4'-P-C4' energy: -41.157
flat angles P-C4'-P energy: -24.816
tors. eta vs tors. theta energy: -42.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -508.182942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.182942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.182942 (E_RNA)
where:
Base-Base interactions energy: -320.735
where: short stacking energy: -167.595
Base-Backbone interact. energy: -0.241
local terms energy: -187.206770
where:
bonds (distance) C4'-P energy: -36.644
bonds (distance) P-C4' energy: -33.366
flat angles C4'-P-C4' energy: -37.383
flat angles P-C4'-P energy: -24.375
tors. eta vs tors. theta energy: -55.439
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: 2
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -456.999086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.999086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.999086 (E_RNA)
where:
Base-Base interactions energy: -298.508
where: short stacking energy: -143.637
Base-Backbone interact. energy: 0.955
local terms energy: -159.445644
where:
bonds (distance) C4'-P energy: -37.452
bonds (distance) P-C4' energy: -35.016
flat angles C4'-P-C4' energy: -31.320
flat angles P-C4'-P energy: -20.524
tors. eta vs tors. theta energy: -35.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -265.495047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.495047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.495047 (E_RNA)
where:
Base-Base interactions energy: -125.623
where: short stacking energy: -83.794
Base-Backbone interact. energy: -0.801
local terms energy: -139.071615
where:
bonds (distance) C4'-P energy: -34.046
bonds (distance) P-C4' energy: -41.725
flat angles C4'-P-C4' energy: -31.508
flat angles P-C4'-P energy: -20.646
tors. eta vs tors. theta energy: -11.147
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: 114
Temperature: 1.250000
Total energy: -213.026978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.026978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.026978 (E_RNA)
where:
Base-Base interactions energy: -83.593
where: short stacking energy: -63.774
Base-Backbone interact. energy: -1.287
local terms energy: -128.146995
where:
bonds (distance) C4'-P energy: -28.571
bonds (distance) P-C4' energy: -33.749
flat angles C4'-P-C4' energy: -36.916
flat angles P-C4'-P energy: -27.909
tors. eta vs tors. theta energy: -1.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -185.374959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.374959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.374959 (E_RNA)
where:
Base-Base interactions energy: -73.844
where: short stacking energy: -64.585
Base-Backbone interact. energy: -0.425
local terms energy: -111.105997
where:
bonds (distance) C4'-P energy: -37.062
bonds (distance) P-C4' energy: -36.311
flat angles C4'-P-C4' energy: -25.731
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -1.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -172.691656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.691656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.691656 (E_RNA)
where:
Base-Base interactions energy: -61.938
where: short stacking energy: -40.221
Base-Backbone interact. energy: -0.511
local terms energy: -110.242563
where:
bonds (distance) C4'-P energy: -40.376
bonds (distance) P-C4' energy: -33.088
flat angles C4'-P-C4' energy: -22.280
flat angles P-C4'-P energy: -16.988
tors. eta vs tors. theta energy: 2.490
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: 7
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -659.727545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.727545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.727545 (E_RNA)
where:
Base-Base interactions energy: -441.181
where: short stacking energy: -200.700
Base-Backbone interact. energy: -0.274
local terms energy: -218.272869
where:
bonds (distance) C4'-P energy: -37.840
bonds (distance) P-C4' energy: -39.613
flat angles C4'-P-C4' energy: -44.396
flat angles P-C4'-P energy: -30.425
tors. eta vs tors. theta energy: -65.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -620.609906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.609906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.609906 (E_RNA)
where:
Base-Base interactions energy: -421.620
where: short stacking energy: -196.671
Base-Backbone interact. energy: -0.359
local terms energy: -198.630925
where:
bonds (distance) C4'-P energy: -37.430
bonds (distance) P-C4' energy: -33.228
flat angles C4'-P-C4' energy: -47.658
flat angles P-C4'-P energy: -24.399
tors. eta vs tors. theta energy: -55.916
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: 5
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -624.866219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.866219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.866219 (E_RNA)
where:
Base-Base interactions energy: -417.887
where: short stacking energy: -190.499
Base-Backbone interact. energy: 0.739
local terms energy: -207.719139
where:
bonds (distance) C4'-P energy: -40.277
bonds (distance) P-C4' energy: -41.388
flat angles C4'-P-C4' energy: -40.466
flat angles P-C4'-P energy: -31.945
tors. eta vs tors. theta energy: -53.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -531.932539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.932539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.932539 (E_RNA)
where:
Base-Base interactions energy: -337.779
where: short stacking energy: -154.671
Base-Backbone interact. energy: -0.232
local terms energy: -193.922450
where:
bonds (distance) C4'-P energy: -41.333
bonds (distance) P-C4' energy: -40.331
flat angles C4'-P-C4' energy: -43.337
flat angles P-C4'-P energy: -22.536
tors. eta vs tors. theta energy: -46.384
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: 4
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -503.287740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.287740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.287740 (E_RNA)
where:
Base-Base interactions energy: -312.894
where: short stacking energy: -157.615
Base-Backbone interact. energy: -1.084
local terms energy: -189.309817
where:
bonds (distance) C4'-P energy: -34.045
bonds (distance) P-C4' energy: -40.783
flat angles C4'-P-C4' energy: -42.936
flat angles P-C4'-P energy: -27.023
tors. eta vs tors. theta energy: -44.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -453.471512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.471512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.471512 (E_RNA)
where:
Base-Base interactions energy: -290.546
where: short stacking energy: -124.198
Base-Backbone interact. energy: -0.870
local terms energy: -162.055331
where:
bonds (distance) C4'-P energy: -34.151
bonds (distance) P-C4' energy: -31.952
flat angles C4'-P-C4' energy: -38.606
flat angles P-C4'-P energy: -26.919
tors. eta vs tors. theta energy: -30.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -269.294185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.294185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.294185 (E_RNA)
where:
Base-Base interactions energy: -121.438
where: short stacking energy: -57.490
Base-Backbone interact. energy: -0.572
local terms energy: -147.283558
where:
bonds (distance) C4'-P energy: -40.688
bonds (distance) P-C4' energy: -32.182
flat angles C4'-P-C4' energy: -39.185
flat angles P-C4'-P energy: -24.249
tors. eta vs tors. theta energy: -10.980
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: 10
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -197.550520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.550520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.550520 (E_RNA)
where:
Base-Base interactions energy: -77.472
where: short stacking energy: -60.152
Base-Backbone interact. energy: -0.317
local terms energy: -119.762259
where:
bonds (distance) C4'-P energy: -25.388
bonds (distance) P-C4' energy: -43.448
flat angles C4'-P-C4' energy: -28.417
flat angles P-C4'-P energy: -25.262
tors. eta vs tors. theta energy: 2.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -172.560685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.560685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.560685 (E_RNA)
where:
Base-Base interactions energy: -66.235
where: short stacking energy: -39.429
Base-Backbone interact. energy: 1.246
local terms energy: -107.571701
where:
bonds (distance) C4'-P energy: -33.008
bonds (distance) P-C4' energy: -31.720
flat angles C4'-P-C4' energy: -29.175
flat angles P-C4'-P energy: -19.280
tors. eta vs tors. theta energy: 5.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -173.908508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.908508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.908508 (E_RNA)
where:
Base-Base interactions energy: -60.810
where: short stacking energy: -36.515
Base-Backbone interact. energy: -0.627
local terms energy: -112.471720
where:
bonds (distance) C4'-P energy: -33.701
bonds (distance) P-C4' energy: -34.383
flat angles C4'-P-C4' energy: -33.695
flat angles P-C4'-P energy: -19.864
tors. eta vs tors. theta energy: 9.172
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: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -628.894287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.894287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.894287 (E_RNA)
where:
Base-Base interactions energy: -434.698
where: short stacking energy: -186.754
Base-Backbone interact. energy: -2.749
local terms energy: -191.446940
where:
bonds (distance) C4'-P energy: -41.552
bonds (distance) P-C4' energy: -33.049
flat angles C4'-P-C4' energy: -38.605
flat angles P-C4'-P energy: -31.163
tors. eta vs tors. theta energy: -47.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -624.883569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.883569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.883569 (E_RNA)
where:
Base-Base interactions energy: -406.205
where: short stacking energy: -202.418
Base-Backbone interact. energy: -0.156
local terms energy: -218.523272
where:
bonds (distance) C4'-P energy: -31.863
bonds (distance) P-C4' energy: -46.893
flat angles C4'-P-C4' energy: -44.953
flat angles P-C4'-P energy: -30.984
tors. eta vs tors. theta energy: -63.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -607.977156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.977156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.977156 (E_RNA)
where:
Base-Base interactions energy: -394.307
where: short stacking energy: -175.849
Base-Backbone interact. energy: -1.289
local terms energy: -212.380715
where:
bonds (distance) C4'-P energy: -38.691
bonds (distance) P-C4' energy: -40.723
flat angles C4'-P-C4' energy: -44.729
flat angles P-C4'-P energy: -34.361
tors. eta vs tors. theta energy: -53.877
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: 3
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -536.419804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.419804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.419804 (E_RNA)
where:
Base-Base interactions energy: -347.028
where: short stacking energy: -158.918
Base-Backbone interact. energy: -0.326
local terms energy: -189.065883
where:
bonds (distance) C4'-P energy: -38.551
bonds (distance) P-C4' energy: -37.578
flat angles C4'-P-C4' energy: -42.059
flat angles P-C4'-P energy: -21.380
tors. eta vs tors. theta energy: -49.499
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: 116
Temperature: 1.100000
Total energy: -528.187994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.187994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.187994 (E_RNA)
where:
Base-Base interactions energy: -326.213
where: short stacking energy: -173.007
Base-Backbone interact. energy: -0.328
local terms energy: -201.647005
where:
bonds (distance) C4'-P energy: -36.701
bonds (distance) P-C4' energy: -36.516
flat angles C4'-P-C4' energy: -43.066
flat angles P-C4'-P energy: -27.428
tors. eta vs tors. theta energy: -57.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -468.504281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.504281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.504281 (E_RNA)
where:
Base-Base interactions energy: -311.317
where: short stacking energy: -138.592
Base-Backbone interact. energy: 0.480
local terms energy: -157.667608
where:
bonds (distance) C4'-P energy: -33.716
bonds (distance) P-C4' energy: -37.935
flat angles C4'-P-C4' energy: -35.211
flat angles P-C4'-P energy: -22.339
tors. eta vs tors. theta energy: -28.466
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: 8
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -245.399200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.399200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.399200 (E_RNA)
where:
Base-Base interactions energy: -121.433
where: short stacking energy: -77.132
Base-Backbone interact. energy: 0.251
local terms energy: -124.216724
where:
bonds (distance) C4'-P energy: -26.804
bonds (distance) P-C4' energy: -41.299
flat angles C4'-P-C4' energy: -24.727
flat angles P-C4'-P energy: -20.855
tors. eta vs tors. theta energy: -10.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -201.087535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.087535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.087535 (E_RNA)
where:
Base-Base interactions energy: -75.279
where: short stacking energy: -65.789
Base-Backbone interact. energy: 1.169
local terms energy: -126.977003
where:
bonds (distance) C4'-P energy: -28.129
bonds (distance) P-C4' energy: -33.159
flat angles C4'-P-C4' energy: -25.379
flat angles P-C4'-P energy: -29.838
tors. eta vs tors. theta energy: -10.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -172.820832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.820832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.820832 (E_RNA)
where:
Base-Base interactions energy: -71.114
where: short stacking energy: -38.610
Base-Backbone interact. energy: -1.660
local terms energy: -100.047149
where:
bonds (distance) C4'-P energy: -38.753
bonds (distance) P-C4' energy: -26.850
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -2.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -163.847609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.847609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.847609 (E_RNA)
where:
Base-Base interactions energy: -58.405
where: short stacking energy: -39.323
Base-Backbone interact. energy: -1.989
local terms energy: -103.452724
where:
bonds (distance) C4'-P energy: -27.427
bonds (distance) P-C4' energy: -35.672
flat angles C4'-P-C4' energy: -32.565
flat angles P-C4'-P energy: -19.902
tors. eta vs tors. theta energy: 12.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -617.264432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.264432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.264432 (E_RNA)
where:
Base-Base interactions energy: -411.084
where: short stacking energy: -175.789
Base-Backbone interact. energy: -0.762
local terms energy: -205.418694
where:
bonds (distance) C4'-P energy: -41.524
bonds (distance) P-C4' energy: -36.904
flat angles C4'-P-C4' energy: -47.511
flat angles P-C4'-P energy: -29.305
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: 2, replica: 5
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -628.564339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.564339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.564339 (E_RNA)
where:
Base-Base interactions energy: -413.102
where: short stacking energy: -175.708
Base-Backbone interact. energy: 0.537
local terms energy: -215.998617
where:
bonds (distance) C4'-P energy: -38.543
bonds (distance) P-C4' energy: -38.839
flat angles C4'-P-C4' energy: -46.959
flat angles P-C4'-P energy: -32.413
tors. eta vs tors. theta energy: -59.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -609.763382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.763382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.763382 (E_RNA)
where:
Base-Base interactions energy: -410.328
where: short stacking energy: -187.488
Base-Backbone interact. energy: -0.417
local terms energy: -199.018560
where:
bonds (distance) C4'-P energy: -41.328
bonds (distance) P-C4' energy: -28.703
flat angles C4'-P-C4' energy: -40.536
flat angles P-C4'-P energy: -30.668
tors. eta vs tors. theta energy: -57.784
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: 4, replica: 3
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -561.456897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.456897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.456897 (E_RNA)
where:
Base-Base interactions energy: -361.096
where: short stacking energy: -165.588
Base-Backbone interact. energy: -0.138
local terms energy: -200.222813
where:
bonds (distance) C4'-P energy: -37.524
bonds (distance) P-C4' energy: -34.094
flat angles C4'-P-C4' energy: -38.749
flat angles P-C4'-P energy: -31.845
tors. eta vs tors. theta energy: -58.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -495.082605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.082605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.082605 (E_RNA)
where:
Base-Base interactions energy: -315.243
where: short stacking energy: -144.721
Base-Backbone interact. energy: -1.659
local terms energy: -178.180272
where:
bonds (distance) C4'-P energy: -39.130
bonds (distance) P-C4' energy: -33.484
flat angles C4'-P-C4' energy: -30.193
flat angles P-C4'-P energy: -26.102
tors. eta vs tors. theta energy: -49.271
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: 2
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -468.550495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.550495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.550495 (E_RNA)
where:
Base-Base interactions energy: -315.465
where: short stacking energy: -137.540
Base-Backbone interact. energy: -0.607
local terms energy: -152.478277
where:
bonds (distance) C4'-P energy: -27.169
bonds (distance) P-C4' energy: -24.386
flat angles C4'-P-C4' energy: -38.764
flat angles P-C4'-P energy: -31.382
tors. eta vs tors. theta energy: -30.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -262.105708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.105708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.105708 (E_RNA)
where:
Base-Base interactions energy: -135.472
where: short stacking energy: -87.534
Base-Backbone interact. energy: -0.793
local terms energy: -125.840540
where:
bonds (distance) C4'-P energy: -20.721
bonds (distance) P-C4' energy: -36.900
flat angles C4'-P-C4' energy: -30.405
flat angles P-C4'-P energy: -22.195
tors. eta vs tors. theta energy: -15.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -212.198643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.198643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.198643 (E_RNA)
where:
Base-Base interactions energy: -101.139
where: short stacking energy: -49.783
Base-Backbone interact. energy: -0.863
local terms energy: -110.195990
where:
bonds (distance) C4'-P energy: -22.088
bonds (distance) P-C4' energy: -46.737
flat angles C4'-P-C4' energy: -27.835
flat angles P-C4'-P energy: -18.329
tors. eta vs tors. theta energy: 4.793
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: 10
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -192.743466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.743466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.743466 (E_RNA)
where:
Base-Base interactions energy: -68.305
where: short stacking energy: -53.941
Base-Backbone interact. energy: 0.551
local terms energy: -124.989331
where:
bonds (distance) C4'-P energy: -35.467
bonds (distance) P-C4' energy: -33.042
flat angles C4'-P-C4' energy: -33.139
flat angles P-C4'-P energy: -22.216
tors. eta vs tors. theta energy: -1.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -174.130183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.130183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.130183 (E_RNA)
where:
Base-Base interactions energy: -50.122
where: short stacking energy: -44.477
Base-Backbone interact. energy: -2.304
local terms energy: -121.704226
where:
bonds (distance) C4'-P energy: -38.203
bonds (distance) P-C4' energy: -39.761
flat angles C4'-P-C4' energy: -31.880
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -3.243
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: 5
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -634.297867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.297867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.297867 (E_RNA)
where:
Base-Base interactions energy: -433.515
where: short stacking energy: -181.676
Base-Backbone interact. energy: -1.374
local terms energy: -199.408750
where:
bonds (distance) C4'-P energy: -42.876
bonds (distance) P-C4' energy: -42.645
flat angles C4'-P-C4' energy: -36.925
flat angles P-C4'-P energy: -25.927
tors. eta vs tors. theta energy: -51.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -618.014209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.014209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.014209 (E_RNA)
where:
Base-Base interactions energy: -417.676
where: short stacking energy: -172.928
Base-Backbone interact. energy: -0.861
local terms energy: -199.477284
where:
bonds (distance) C4'-P energy: -38.916
bonds (distance) P-C4' energy: -40.829
flat angles C4'-P-C4' energy: -41.919
flat angles P-C4'-P energy: -26.709
tors. eta vs tors. theta energy: -51.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -599.343275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.343275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.343275 (E_RNA)
where:
Base-Base interactions energy: -382.429
where: short stacking energy: -175.864
Base-Backbone interact. energy: -0.801
local terms energy: -216.113304
where:
bonds (distance) C4'-P energy: -40.201
bonds (distance) P-C4' energy: -38.667
flat angles C4'-P-C4' energy: -46.723
flat angles P-C4'-P energy: -31.045
tors. eta vs tors. theta energy: -59.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -549.796323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.796323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.796323 (E_RNA)
where:
Base-Base interactions energy: -343.042
where: short stacking energy: -153.022
Base-Backbone interact. energy: -0.337
local terms energy: -206.417233
where:
bonds (distance) C4'-P energy: -36.610
bonds (distance) P-C4' energy: -47.560
flat angles C4'-P-C4' energy: -40.322
flat angles P-C4'-P energy: -33.529
tors. eta vs tors. theta energy: -48.396
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: 5, replica: 4
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -489.558316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.558316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.558316 (E_RNA)
where:
Base-Base interactions energy: -309.169
where: short stacking energy: -156.234
Base-Backbone interact. energy: 0.004
local terms energy: -180.392875
where:
bonds (distance) C4'-P energy: -38.564
bonds (distance) P-C4' energy: -32.922
flat angles C4'-P-C4' energy: -41.306
flat angles P-C4'-P energy: -21.817
tors. eta vs tors. theta energy: -45.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -463.802210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.802210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.802210 (E_RNA)
where:
Base-Base interactions energy: -294.188
where: short stacking energy: -137.195
Base-Backbone interact. energy: 2.058
local terms energy: -171.672149
where:
bonds (distance) C4'-P energy: -36.411
bonds (distance) P-C4' energy: -35.903
flat angles C4'-P-C4' energy: -38.158
flat angles P-C4'-P energy: -25.509
tors. eta vs tors. theta energy: -35.691
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: 8
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -274.761062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.761062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.761062 (E_RNA)
where:
Base-Base interactions energy: -130.771
where: short stacking energy: -85.705
Base-Backbone interact. energy: -1.297
local terms energy: -142.692421
where:
bonds (distance) C4'-P energy: -37.563
bonds (distance) P-C4' energy: -33.622
flat angles C4'-P-C4' energy: -26.990
flat angles P-C4'-P energy: -29.098
tors. eta vs tors. theta energy: -15.420
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: 118
Temperature: 1.250000
Total energy: -210.089882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.089882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.089882 (E_RNA)
where:
Base-Base interactions energy: -79.509
where: short stacking energy: -46.348
Base-Backbone interact. energy: -1.082
local terms energy: -129.498998
where:
bonds (distance) C4'-P energy: -39.071
bonds (distance) P-C4' energy: -39.692
flat angles C4'-P-C4' energy: -26.117
flat angles P-C4'-P energy: -30.966
tors. eta vs tors. theta energy: 6.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -189.369869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.369869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.369869 (E_RNA)
where:
Base-Base interactions energy: -81.569
where: short stacking energy: -76.176
Base-Backbone interact. energy: -0.125
local terms energy: -107.675380
where:
bonds (distance) C4'-P energy: -35.882
bonds (distance) P-C4' energy: -21.695
flat angles C4'-P-C4' energy: -25.869
flat angles P-C4'-P energy: -17.350
tors. eta vs tors. theta energy: -6.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -196.305326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.305326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.305326 (E_RNA)
where:
Base-Base interactions energy: -78.756
where: short stacking energy: -40.858
Base-Backbone interact. energy: 2.374
local terms energy: -119.923469
where:
bonds (distance) C4'-P energy: -32.606
bonds (distance) P-C4' energy: -32.296
flat angles C4'-P-C4' energy: -37.549
flat angles P-C4'-P energy: -24.746
tors. eta vs tors. theta energy: 7.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -652.513617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.513617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.513617 (E_RNA)
where:
Base-Base interactions energy: -428.626
where: short stacking energy: -184.568
Base-Backbone interact. energy: -1.313
local terms energy: -222.574238
where:
bonds (distance) C4'-P energy: -39.686
bonds (distance) P-C4' energy: -44.675
flat angles C4'-P-C4' energy: -46.418
flat angles P-C4'-P energy: -33.524
tors. eta vs tors. theta energy: -58.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -598.158518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.158518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.158518 (E_RNA)
where:
Base-Base interactions energy: -391.113
where: short stacking energy: -165.122
Base-Backbone interact. energy: -0.368
local terms energy: -206.677385
where:
bonds (distance) C4'-P energy: -45.753
bonds (distance) P-C4' energy: -41.543
flat angles C4'-P-C4' energy: -39.297
flat angles P-C4'-P energy: -27.057
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: 7
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -626.680982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.680982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.680982 (E_RNA)
where:
Base-Base interactions energy: -416.222
where: short stacking energy: -206.831
Base-Backbone interact. energy: 0.272
local terms energy: -210.730844
where:
bonds (distance) C4'-P energy: -40.737
bonds (distance) P-C4' energy: -31.370
flat angles C4'-P-C4' energy: -46.690
flat angles P-C4'-P energy: -29.057
tors. eta vs tors. theta energy: -62.877
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: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -533.368771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.368771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.368771 (E_RNA)
where:
Base-Base interactions energy: -345.992
where: short stacking energy: -160.414
Base-Backbone interact. energy: -0.251
local terms energy: -187.125976
where:
bonds (distance) C4'-P energy: -32.667
bonds (distance) P-C4' energy: -32.816
flat angles C4'-P-C4' energy: -40.491
flat angles P-C4'-P energy: -28.332
tors. eta vs tors. theta energy: -52.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -474.445355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.445355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.445355 (E_RNA)
where:
Base-Base interactions energy: -295.008
where: short stacking energy: -149.099
Base-Backbone interact. energy: -0.283
local terms energy: -179.154774
where:
bonds (distance) C4'-P energy: -43.570
bonds (distance) P-C4' energy: -34.889
flat angles C4'-P-C4' energy: -36.713
flat angles P-C4'-P energy: -19.855
tors. eta vs tors. theta energy: -44.127
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: 6, replica: 2
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -450.521536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.521536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.521536 (E_RNA)
where:
Base-Base interactions energy: -286.471
where: short stacking energy: -119.928
Base-Backbone interact. energy: -1.157
local terms energy: -162.894194
where:
bonds (distance) C4'-P energy: -35.478
bonds (distance) P-C4' energy: -41.264
flat angles C4'-P-C4' energy: -31.186
flat angles P-C4'-P energy: -22.880
tors. eta vs tors. theta energy: -32.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -245.045556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.045556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.045556 (E_RNA)
where:
Base-Base interactions energy: -110.438
where: short stacking energy: -65.876
Base-Backbone interact. energy: 0.744
local terms energy: -135.352405
where:
bonds (distance) C4'-P energy: -30.974
bonds (distance) P-C4' energy: -45.123
flat angles C4'-P-C4' energy: -27.162
flat angles P-C4'-P energy: -26.496
tors. eta vs tors. theta energy: -5.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -219.151444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.151444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.151444 (E_RNA)
where:
Base-Base interactions energy: -86.892
where: short stacking energy: -67.852
Base-Backbone interact. energy: 1.444
local terms energy: -133.703320
where:
bonds (distance) C4'-P energy: -21.755
bonds (distance) P-C4' energy: -42.325
flat angles C4'-P-C4' energy: -32.556
flat angles P-C4'-P energy: -23.023
tors. eta vs tors. theta energy: -14.045
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: 9, replica: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -179.396263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.396263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.396263 (E_RNA)
where:
Base-Base interactions energy: -58.810
where: short stacking energy: -39.746
Base-Backbone interact. energy: -0.323
local terms energy: -120.263333
where:
bonds (distance) C4'-P energy: -27.519
bonds (distance) P-C4' energy: -41.908
flat angles C4'-P-C4' energy: -37.012
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: 3.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -174.286891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.286891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.286891 (E_RNA)
where:
Base-Base interactions energy: -64.888
where: short stacking energy: -49.399
Base-Backbone interact. energy: 1.002
local terms energy: -110.401119
where:
bonds (distance) C4'-P energy: -35.212
bonds (distance) P-C4' energy: -25.159
flat angles C4'-P-C4' energy: -36.622
flat angles P-C4'-P energy: -6.539
tors. eta vs tors. theta energy: -6.869
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: 5
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -630.112594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.112594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.112594 (E_RNA)
where:
Base-Base interactions energy: -416.246
where: short stacking energy: -182.925
Base-Backbone interact. energy: 0.242
local terms energy: -214.108337
where:
bonds (distance) C4'-P energy: -39.524
bonds (distance) P-C4' energy: -44.578
flat angles C4'-P-C4' energy: -38.719
flat angles P-C4'-P energy: -31.876
tors. eta vs tors. theta energy: -59.412
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: 120
Temperature: 0.950000
Total energy: -602.598287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.598287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.598287 (E_RNA)
where:
Base-Base interactions energy: -401.411
where: short stacking energy: -168.026
Base-Backbone interact. energy: -1.968
local terms energy: -199.219577
where:
bonds (distance) C4'-P energy: -40.952
bonds (distance) P-C4' energy: -42.322
flat angles C4'-P-C4' energy: -38.841
flat angles P-C4'-P energy: -27.317
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: 3, replica: 7
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -596.700806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.700806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.700806 (E_RNA)
where:
Base-Base interactions energy: -388.925
where: short stacking energy: -164.315
Base-Backbone interact. energy: -0.405
local terms energy: -207.371592
where:
bonds (distance) C4'-P energy: -38.806
bonds (distance) P-C4' energy: -36.202
flat angles C4'-P-C4' energy: -48.465
flat angles P-C4'-P energy: -31.306
tors. eta vs tors. theta energy: -52.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -533.932033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.932033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.932033 (E_RNA)
where:
Base-Base interactions energy: -346.328
where: short stacking energy: -160.003
Base-Backbone interact. energy: -0.927
local terms energy: -186.677089
where:
bonds (distance) C4'-P energy: -24.203
bonds (distance) P-C4' energy: -35.126
flat angles C4'-P-C4' energy: -42.182
flat angles P-C4'-P energy: -31.265
tors. eta vs tors. theta energy: -53.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -463.772499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.772499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.772499 (E_RNA)
where:
Base-Base interactions energy: -282.965
where: short stacking energy: -143.000
Base-Backbone interact. energy: -0.097
local terms energy: -180.710590
where:
bonds (distance) C4'-P energy: -33.778
bonds (distance) P-C4' energy: -42.223
flat angles C4'-P-C4' energy: -36.063
flat angles P-C4'-P energy: -23.861
tors. eta vs tors. theta energy: -44.786
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: 2
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -456.102313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.102313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.102313 (E_RNA)
where:
Base-Base interactions energy: -288.075
where: short stacking energy: -113.574
Base-Backbone interact. energy: 1.669
local terms energy: -169.696959
where:
bonds (distance) C4'-P energy: -36.826
bonds (distance) P-C4' energy: -32.939
flat angles C4'-P-C4' energy: -38.159
flat angles P-C4'-P energy: -29.870
tors. eta vs tors. theta energy: -31.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -211.174458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.174458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.174458 (E_RNA)
where:
Base-Base interactions energy: -82.796
where: short stacking energy: -61.310
Base-Backbone interact. energy: 0.208
local terms energy: -128.586316
where:
bonds (distance) C4'-P energy: -36.227
bonds (distance) P-C4' energy: -37.193
flat angles C4'-P-C4' energy: -31.737
flat angles P-C4'-P energy: -18.799
tors. eta vs tors. theta energy: -4.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -234.026329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.026329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.026329 (E_RNA)
where:
Base-Base interactions energy: -96.906
where: short stacking energy: -63.880
Base-Backbone interact. energy: -0.214
local terms energy: -136.906950
where:
bonds (distance) C4'-P energy: -39.547
bonds (distance) P-C4' energy: -34.731
flat angles C4'-P-C4' energy: -36.127
flat angles P-C4'-P energy: -22.874
tors. eta vs tors. theta energy: -3.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -170.679527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.679527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.679527 (E_RNA)
where:
Base-Base interactions energy: -39.860
where: short stacking energy: -29.072
Base-Backbone interact. energy: -0.515
local terms energy: -130.304738
where:
bonds (distance) C4'-P energy: -40.012
bonds (distance) P-C4' energy: -40.108
flat angles C4'-P-C4' energy: -26.695
flat angles P-C4'-P energy: -25.436
tors. eta vs tors. theta energy: 1.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -169.460288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.460288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.460288 (E_RNA)
where:
Base-Base interactions energy: -68.887
where: short stacking energy: -55.444
Base-Backbone interact. energy: -0.723
local terms energy: -99.850410
where:
bonds (distance) C4'-P energy: -24.244
bonds (distance) P-C4' energy: -36.215
flat angles C4'-P-C4' energy: -28.137
flat angles P-C4'-P energy: -4.404
tors. eta vs tors. theta energy: -6.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -631.142927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.142927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.142927 (E_RNA)
where:
Base-Base interactions energy: -419.655
where: short stacking energy: -184.257
Base-Backbone interact. energy: -0.650
local terms energy: -210.838572
where:
bonds (distance) C4'-P energy: -42.627
bonds (distance) P-C4' energy: -43.736
flat angles C4'-P-C4' energy: -41.008
flat angles P-C4'-P energy: -29.050
tors. eta vs tors. theta energy: -54.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -618.823454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.823454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.823454 (E_RNA)
where:
Base-Base interactions energy: -399.086
where: short stacking energy: -191.855
Base-Backbone interact. energy: -0.054
local terms energy: -219.683132
where:
bonds (distance) C4'-P energy: -39.975
bonds (distance) P-C4' energy: -44.034
flat angles C4'-P-C4' energy: -39.791
flat angles P-C4'-P energy: -34.924
tors. eta vs tors. theta energy: -60.959
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: 3, replica: 1
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -592.040167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.040167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.040167 (E_RNA)
where:
Base-Base interactions energy: -391.609
where: short stacking energy: -164.237
Base-Backbone interact. energy: -0.000
local terms energy: -200.430371
where:
bonds (distance) C4'-P energy: -40.100
bonds (distance) P-C4' energy: -41.701
flat angles C4'-P-C4' energy: -43.666
flat angles P-C4'-P energy: -26.794
tors. eta vs tors. theta energy: -48.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -525.139249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.139249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.139249 (E_RNA)
where:
Base-Base interactions energy: -337.440
where: short stacking energy: -152.707
Base-Backbone interact. energy: 1.064
local terms energy: -188.762499
where:
bonds (distance) C4'-P energy: -25.855
bonds (distance) P-C4' energy: -41.285
flat angles C4'-P-C4' energy: -39.480
flat angles P-C4'-P energy: -32.222
tors. eta vs tors. theta energy: -49.920
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: 4
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -491.945040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.945040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.945040 (E_RNA)
where:
Base-Base interactions energy: -312.628
where: short stacking energy: -153.433
Base-Backbone interact. energy: 0.611
local terms energy: -179.927690
where:
bonds (distance) C4'-P energy: -41.146
bonds (distance) P-C4' energy: -31.068
flat angles C4'-P-C4' energy: -34.175
flat angles P-C4'-P energy: -25.225
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: 6, replica: 2
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -473.709310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.709310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.709310 (E_RNA)
where:
Base-Base interactions energy: -309.317
where: short stacking energy: -137.978
Base-Backbone interact. energy: 0.372
local terms energy: -164.764563
where:
bonds (distance) C4'-P energy: -33.963
bonds (distance) P-C4' energy: -29.162
flat angles C4'-P-C4' energy: -33.001
flat angles P-C4'-P energy: -22.976
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: 7, replica: 6
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -235.649236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.649236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.649236 (E_RNA)
where:
Base-Base interactions energy: -103.464
where: short stacking energy: -65.068
Base-Backbone interact. energy: -0.514
local terms energy: -131.670848
where:
bonds (distance) C4'-P energy: -36.187
bonds (distance) P-C4' energy: -32.397
flat angles C4'-P-C4' energy: -33.543
flat angles P-C4'-P energy: -17.460
tors. eta vs tors. theta energy: -12.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -229.665822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.665822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.665822 (E_RNA)
where:
Base-Base interactions energy: -104.061
where: short stacking energy: -70.558
Base-Backbone interact. energy: -0.653
local terms energy: -124.952089
where:
bonds (distance) C4'-P energy: -38.569
bonds (distance) P-C4' energy: -31.264
flat angles C4'-P-C4' energy: -26.464
flat angles P-C4'-P energy: -17.314
tors. eta vs tors. theta energy: -11.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -234.304859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.304859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.304859 (E_RNA)
where:
Base-Base interactions energy: -118.132
where: short stacking energy: -68.525
Base-Backbone interact. energy: 1.449
local terms energy: -117.622193
where:
bonds (distance) C4'-P energy: -29.762
bonds (distance) P-C4' energy: -32.764
flat angles C4'-P-C4' energy: -24.003
flat angles P-C4'-P energy: -21.210
tors. eta vs tors. theta energy: -9.884
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: 121
Temperature: 1.350000
Total energy: -196.604245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.604245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.604245 (E_RNA)
where:
Base-Base interactions energy: -77.535
where: short stacking energy: -46.447
Base-Backbone interact. energy: -0.466
local terms energy: -118.603178
where:
bonds (distance) C4'-P energy: -25.906
bonds (distance) P-C4' energy: -42.967
flat angles C4'-P-C4' energy: -32.385
flat angles P-C4'-P energy: -15.508
tors. eta vs tors. theta energy: -1.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -626.804178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.804178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.804178 (E_RNA)
where:
Base-Base interactions energy: -413.143
where: short stacking energy: -202.064
Base-Backbone interact. energy: -1.007
local terms energy: -212.654784
where:
bonds (distance) C4'-P energy: -32.130
bonds (distance) P-C4' energy: -41.414
flat angles C4'-P-C4' energy: -44.416
flat angles P-C4'-P energy: -29.083
tors. eta vs tors. theta energy: -65.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -628.592738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.592738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.592738 (E_RNA)
where:
Base-Base interactions energy: -425.838
where: short stacking energy: -177.319
Base-Backbone interact. energy: 0.768
local terms energy: -203.522996
where:
bonds (distance) C4'-P energy: -33.848
bonds (distance) P-C4' energy: -41.118
flat angles C4'-P-C4' energy: -36.134
flat angles P-C4'-P energy: -30.626
tors. eta vs tors. theta energy: -61.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -595.504989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.504989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.504989 (E_RNA)
where:
Base-Base interactions energy: -405.314
where: short stacking energy: -185.843
Base-Backbone interact. energy: -2.145
local terms energy: -188.046031
where:
bonds (distance) C4'-P energy: -34.162
bonds (distance) P-C4' energy: -31.427
flat angles C4'-P-C4' energy: -41.395
flat angles P-C4'-P energy: -31.470
tors. eta vs tors. theta energy: -49.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -514.970574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.970574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.970574 (E_RNA)
where:
Base-Base interactions energy: -329.927
where: short stacking energy: -147.022
Base-Backbone interact. energy: 0.799
local terms energy: -185.842038
where:
bonds (distance) C4'-P energy: -40.029
bonds (distance) P-C4' energy: -39.579
flat angles C4'-P-C4' energy: -40.103
flat angles P-C4'-P energy: -23.997
tors. eta vs tors. theta energy: -42.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -515.839168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.839168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.839168 (E_RNA)
where:
Base-Base interactions energy: -341.320
where: short stacking energy: -175.142
Base-Backbone interact. energy: -1.448
local terms energy: -173.071137
where:
bonds (distance) C4'-P energy: -32.057
bonds (distance) P-C4' energy: -28.411
flat angles C4'-P-C4' energy: -40.198
flat angles P-C4'-P energy: -24.060
tors. eta vs tors. theta energy: -48.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -458.402415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.402415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.402415 (E_RNA)
where:
Base-Base interactions energy: -278.648
where: short stacking energy: -125.323
Base-Backbone interact. energy: -1.373
local terms energy: -178.382089
where:
bonds (distance) C4'-P energy: -28.554
bonds (distance) P-C4' energy: -40.171
flat angles C4'-P-C4' energy: -41.739
flat angles P-C4'-P energy: -26.849
tors. eta vs tors. theta energy: -41.068
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: 10
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -228.776952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.776952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.776952 (E_RNA)
where:
Base-Base interactions energy: -97.564
where: short stacking energy: -62.433
Base-Backbone interact. energy: -0.506
local terms energy: -130.707309
where:
bonds (distance) C4'-P energy: -38.002
bonds (distance) P-C4' energy: -40.000
flat angles C4'-P-C4' energy: -31.912
flat angles P-C4'-P energy: -16.086
tors. eta vs tors. theta energy: -4.708
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: 8, replica: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -203.327732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.327732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.327732 (E_RNA)
where:
Base-Base interactions energy: -73.253
where: short stacking energy: -51.588
Base-Backbone interact. energy: -0.753
local terms energy: -129.320822
where:
bonds (distance) C4'-P energy: -38.019
bonds (distance) P-C4' energy: -41.099
flat angles C4'-P-C4' energy: -28.663
flat angles P-C4'-P energy: -19.926
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: 9, replica: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -231.358743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.358743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.358743 (E_RNA)
where:
Base-Base interactions energy: -92.616
where: short stacking energy: -66.811
Base-Backbone interact. energy: -0.336
local terms energy: -138.406275
where:
bonds (distance) C4'-P energy: -38.764
bonds (distance) P-C4' energy: -34.523
flat angles C4'-P-C4' energy: -38.336
flat angles P-C4'-P energy: -17.624
tors. eta vs tors. theta energy: -9.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -160.930621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.930621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.930621 (E_RNA)
where:
Base-Base interactions energy: -43.509
where: short stacking energy: -31.818
Base-Backbone interact. energy: -1.016
local terms energy: -116.406447
where:
bonds (distance) C4'-P energy: -34.546
bonds (distance) P-C4' energy: -40.707
flat angles C4'-P-C4' energy: -25.341
flat angles P-C4'-P energy: -25.686
tors. eta vs tors. theta energy: 9.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -629.085023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.085023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.085023 (E_RNA)
where:
Base-Base interactions energy: -417.143
where: short stacking energy: -192.764
Base-Backbone interact. energy: -0.909
local terms energy: -211.032720
where:
bonds (distance) C4'-P energy: -40.234
bonds (distance) P-C4' energy: -40.007
flat angles C4'-P-C4' energy: -45.059
flat angles P-C4'-P energy: -27.604
tors. eta vs tors. theta energy: -58.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -625.483160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.483160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.483160 (E_RNA)
where:
Base-Base interactions energy: -416.714
where: short stacking energy: -187.210
Base-Backbone interact. energy: 0.221
local terms energy: -208.990469
where:
bonds (distance) C4'-P energy: -43.077
bonds (distance) P-C4' energy: -34.819
flat angles C4'-P-C4' energy: -36.925
flat angles P-C4'-P energy: -35.002
tors. eta vs tors. theta energy: -59.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -605.910832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.910832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.910832 (E_RNA)
where:
Base-Base interactions energy: -409.447
where: short stacking energy: -175.377
Base-Backbone interact. energy: -0.193
local terms energy: -196.270528
where:
bonds (distance) C4'-P energy: -35.645
bonds (distance) P-C4' energy: -35.566
flat angles C4'-P-C4' energy: -40.796
flat angles P-C4'-P energy: -38.555
tors. eta vs tors. theta energy: -45.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -507.256056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.256056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.256056 (E_RNA)
where:
Base-Base interactions energy: -307.241
where: short stacking energy: -147.871
Base-Backbone interact. energy: -0.397
local terms energy: -199.617870
where:
bonds (distance) C4'-P energy: -37.541
bonds (distance) P-C4' energy: -43.215
flat angles C4'-P-C4' energy: -42.402
flat angles P-C4'-P energy: -32.442
tors. eta vs tors. theta energy: -44.017
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: 4
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -517.096192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.096192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.096192 (E_RNA)
where:
Base-Base interactions energy: -333.341
where: short stacking energy: -172.911
Base-Backbone interact. energy: 0.172
local terms energy: -183.926980
where:
bonds (distance) C4'-P energy: -30.598
bonds (distance) P-C4' energy: -31.140
flat angles C4'-P-C4' energy: -43.465
flat angles P-C4'-P energy: -23.266
tors. eta vs tors. theta energy: -55.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -475.383638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.383638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.383638 (E_RNA)
where:
Base-Base interactions energy: -301.544
where: short stacking energy: -137.710
Base-Backbone interact. energy: -1.153
local terms energy: -172.685987
where:
bonds (distance) C4'-P energy: -36.424
bonds (distance) P-C4' energy: -33.274
flat angles C4'-P-C4' energy: -38.378
flat angles P-C4'-P energy: -28.249
tors. eta vs tors. theta energy: -36.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -220.757688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.757688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.757688 (E_RNA)
where:
Base-Base interactions energy: -84.337
where: short stacking energy: -80.788
Base-Backbone interact. energy: -0.213
local terms energy: -136.207905
where:
bonds (distance) C4'-P energy: -36.821
bonds (distance) P-C4' energy: -39.243
flat angles C4'-P-C4' energy: -26.667
flat angles P-C4'-P energy: -21.240
tors. eta vs tors. theta energy: -12.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -270.520844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.520844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.520844 (E_RNA)
where:
Base-Base interactions energy: -134.140
where: short stacking energy: -67.102
Base-Backbone interact. energy: 0.248
local terms energy: -136.628638
where:
bonds (distance) C4'-P energy: -34.569
bonds (distance) P-C4' energy: -35.374
flat angles C4'-P-C4' energy: -35.225
flat angles P-C4'-P energy: -19.498
tors. eta vs tors. theta energy: -11.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -174.766371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.766371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.766371 (E_RNA)
where:
Base-Base interactions energy: -56.269
where: short stacking energy: -47.536
Base-Backbone interact. energy: 0.566
local terms energy: -119.062923
where:
bonds (distance) C4'-P energy: -36.160
bonds (distance) P-C4' energy: -36.386
flat angles C4'-P-C4' energy: -34.371
flat angles P-C4'-P energy: -17.935
tors. eta vs tors. theta energy: 5.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -168.273915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.273915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.273915 (E_RNA)
where:
Base-Base interactions energy: -68.845
where: short stacking energy: -52.124
Base-Backbone interact. energy: -0.398
local terms energy: -99.031704
where:
bonds (distance) C4'-P energy: -32.209
bonds (distance) P-C4' energy: -29.129
flat angles C4'-P-C4' energy: -28.282
flat angles P-C4'-P energy: -19.090
tors. eta vs tors. theta energy: 9.678
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: 5
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -637.691519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.691519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.691519 (E_RNA)
where:
Base-Base interactions energy: -421.013
where: short stacking energy: -180.536
Base-Backbone interact. energy: -1.991
local terms energy: -214.687741
where:
bonds (distance) C4'-P energy: -42.486
bonds (distance) P-C4' energy: -38.050
flat angles C4'-P-C4' energy: -44.445
flat angles P-C4'-P energy: -26.899
tors. eta vs tors. theta energy: -62.808
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: 7
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -605.923757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.923757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.923757 (E_RNA)
where:
Base-Base interactions energy: -404.470
where: short stacking energy: -192.341
Base-Backbone interact. energy: 0.245
local terms energy: -201.698673
where:
bonds (distance) C4'-P energy: -40.492
bonds (distance) P-C4' energy: -26.488
flat angles C4'-P-C4' energy: -48.579
flat angles P-C4'-P energy: -31.578
tors. eta vs tors. theta energy: -54.562
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: 124
Temperature: 1.000000
Total energy: -611.253369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.253369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.253369 (E_RNA)
where:
Base-Base interactions energy: -414.890
where: short stacking energy: -184.843
Base-Backbone interact. energy: -2.040
local terms energy: -194.323018
where:
bonds (distance) C4'-P energy: -35.350
bonds (distance) P-C4' energy: -36.533
flat angles C4'-P-C4' energy: -45.444
flat angles P-C4'-P energy: -26.993
tors. eta vs tors. theta energy: -50.003
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: 124
Temperature: 1.050000
Total energy: -522.551970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.551970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.551970 (E_RNA)
where:
Base-Base interactions energy: -337.067
where: short stacking energy: -162.944
Base-Backbone interact. energy: 1.145
local terms energy: -186.629553
where:
bonds (distance) C4'-P energy: -36.820
bonds (distance) P-C4' energy: -37.270
flat angles C4'-P-C4' energy: -41.510
flat angles P-C4'-P energy: -27.561
tors. eta vs tors. theta energy: -43.468
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: 4
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -515.898524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.898524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.898524 (E_RNA)
where:
Base-Base interactions energy: -327.336
where: short stacking energy: -162.605
Base-Backbone interact. energy: -0.542
local terms energy: -188.020280
where:
bonds (distance) C4'-P energy: -37.203
bonds (distance) P-C4' energy: -30.777
flat angles C4'-P-C4' energy: -40.446
flat angles P-C4'-P energy: -27.698
tors. eta vs tors. theta energy: -51.897
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: 124
Temperature: 1.150000
Total energy: -500.287190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.287190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.287190 (E_RNA)
where:
Base-Base interactions energy: -336.799
where: short stacking energy: -137.246
Base-Backbone interact. energy: 0.247
local terms energy: -163.735093
where:
bonds (distance) C4'-P energy: -25.109
bonds (distance) P-C4' energy: -35.296
flat angles C4'-P-C4' energy: -39.764
flat angles P-C4'-P energy: -22.860
tors. eta vs tors. theta energy: -40.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -306.273786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.273786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.273786 (E_RNA)
where:
Base-Base interactions energy: -157.988
where: short stacking energy: -68.488
Base-Backbone interact. energy: -1.477
local terms energy: -146.808517
where:
bonds (distance) C4'-P energy: -31.469
bonds (distance) P-C4' energy: -37.997
flat angles C4'-P-C4' energy: -42.704
flat angles P-C4'-P energy: -27.290
tors. eta vs tors. theta energy: -7.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -191.777883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.777883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.777883 (E_RNA)
where:
Base-Base interactions energy: -75.192
where: short stacking energy: -41.176
Base-Backbone interact. energy: 0.382
local terms energy: -116.967195
where:
bonds (distance) C4'-P energy: -31.167
bonds (distance) P-C4' energy: -38.159
flat angles C4'-P-C4' energy: -35.530
flat angles P-C4'-P energy: -18.089
tors. eta vs tors. theta energy: 5.978
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: 6
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -170.266206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.266206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.266206 (E_RNA)
where:
Base-Base interactions energy: -66.665
where: short stacking energy: -60.462
Base-Backbone interact. energy: -0.184
local terms energy: -103.416687
where:
bonds (distance) C4'-P energy: -27.839
bonds (distance) P-C4' energy: -34.626
flat angles C4'-P-C4' energy: -25.832
flat angles P-C4'-P energy: -19.674
tors. eta vs tors. theta energy: 4.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -163.703558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.703558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.703558 (E_RNA)
where:
Base-Base interactions energy: -43.499
where: short stacking energy: -39.993
Base-Backbone interact. energy: -1.046
local terms energy: -119.159037
where:
bonds (distance) C4'-P energy: -38.088
bonds (distance) P-C4' energy: -35.624
flat angles C4'-P-C4' energy: -22.528
flat angles P-C4'-P energy: -18.489
tors. eta vs tors. theta energy: -4.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -661.359207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.359207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.359207 (E_RNA)
where:
Base-Base interactions energy: -444.057
where: short stacking energy: -186.975
Base-Backbone interact. energy: 0.324
local terms energy: -217.626461
where:
bonds (distance) C4'-P energy: -42.721
bonds (distance) P-C4' energy: -41.609
flat angles C4'-P-C4' energy: -43.253
flat angles P-C4'-P energy: -31.055
tors. eta vs tors. theta energy: -58.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -620.129598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.129598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.129598 (E_RNA)
where:
Base-Base interactions energy: -417.891
where: short stacking energy: -189.845
Base-Backbone interact. energy: -0.632
local terms energy: -201.607057
where:
bonds (distance) C4'-P energy: -46.651
bonds (distance) P-C4' energy: -34.368
flat angles C4'-P-C4' energy: -37.171
flat angles P-C4'-P energy: -27.216
tors. eta vs tors. theta energy: -56.201
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: 7
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -597.762670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.762670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.762670 (E_RNA)
where:
Base-Base interactions energy: -389.673
where: short stacking energy: -191.853
Base-Backbone interact. energy: -0.660
local terms energy: -207.429637
where:
bonds (distance) C4'-P energy: -41.143
bonds (distance) P-C4' energy: -44.973
flat angles C4'-P-C4' energy: -37.419
flat angles P-C4'-P energy: -30.632
tors. eta vs tors. theta energy: -53.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -539.536520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.536520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.536520 (E_RNA)
where:
Base-Base interactions energy: -347.808
where: short stacking energy: -172.567
Base-Backbone interact. energy: -0.753
local terms energy: -190.975844
where:
bonds (distance) C4'-P energy: -36.257
bonds (distance) P-C4' energy: -35.213
flat angles C4'-P-C4' energy: -38.192
flat angles P-C4'-P energy: -30.122
tors. eta vs tors. theta energy: -51.192
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: 3
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -501.509583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.509583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.509583 (E_RNA)
where:
Base-Base interactions energy: -321.182
where: short stacking energy: -129.198
Base-Backbone interact. energy: -0.818
local terms energy: -179.509714
where:
bonds (distance) C4'-P energy: -26.947
bonds (distance) P-C4' energy: -40.388
flat angles C4'-P-C4' energy: -39.531
flat angles P-C4'-P energy: -31.671
tors. eta vs tors. theta energy: -40.973
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: 6, replica: 2
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -494.787307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.787307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.787307 (E_RNA)
where:
Base-Base interactions energy: -322.525
where: short stacking energy: -156.120
Base-Backbone interact. energy: -2.622
local terms energy: -169.640411
where:
bonds (distance) C4'-P energy: -34.462
bonds (distance) P-C4' energy: -35.644
flat angles C4'-P-C4' energy: -36.803
flat angles P-C4'-P energy: -23.495
tors. eta vs tors. theta energy: -39.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -279.665911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.665911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.665911 (E_RNA)
where:
Base-Base interactions energy: -152.743
where: short stacking energy: -77.155
Base-Backbone interact. energy: -1.194
local terms energy: -125.728569
where:
bonds (distance) C4'-P energy: -32.211
bonds (distance) P-C4' energy: -36.529
flat angles C4'-P-C4' energy: -31.541
flat angles P-C4'-P energy: -16.818
tors. eta vs tors. theta energy: -8.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -191.614830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.614830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.614830 (E_RNA)
where:
Base-Base interactions energy: -63.836
where: short stacking energy: -60.169
Base-Backbone interact. energy: 0.876
local terms energy: -128.654274
where:
bonds (distance) C4'-P energy: -25.917
bonds (distance) P-C4' energy: -37.703
flat angles C4'-P-C4' energy: -39.172
flat angles P-C4'-P energy: -24.086
tors. eta vs tors. theta energy: -1.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -177.506083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.506083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.506083 (E_RNA)
where:
Base-Base interactions energy: -68.378
where: short stacking energy: -33.802
Base-Backbone interact. energy: 1.051
local terms energy: -110.178456
where:
bonds (distance) C4'-P energy: -34.745
bonds (distance) P-C4' energy: -24.895
flat angles C4'-P-C4' energy: -36.270
flat angles P-C4'-P energy: -26.880
tors. eta vs tors. theta energy: 12.612
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: 125
Temperature: 1.350000
Total energy: -176.749320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.749320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.749320 (E_RNA)
where:
Base-Base interactions energy: -64.685
where: short stacking energy: -47.287
Base-Backbone interact. energy: -0.830
local terms energy: -111.234099
where:
bonds (distance) C4'-P energy: -37.024
bonds (distance) P-C4' energy: -27.689
flat angles C4'-P-C4' energy: -31.392
flat angles P-C4'-P energy: -18.910
tors. eta vs tors. theta energy: 3.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -651.297164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.297164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.297164 (E_RNA)
where:
Base-Base interactions energy: -442.047
where: short stacking energy: -179.584
Base-Backbone interact. energy: -1.101
local terms energy: -208.148538
where:
bonds (distance) C4'-P energy: -41.314
bonds (distance) P-C4' energy: -43.849
flat angles C4'-P-C4' energy: -40.856
flat angles P-C4'-P energy: -27.299
tors. eta vs tors. theta energy: -54.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -658.671178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.671178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.671178 (E_RNA)
where:
Base-Base interactions energy: -436.947
where: short stacking energy: -175.671
Base-Backbone interact. energy: -2.836
local terms energy: -218.888298
where:
bonds (distance) C4'-P energy: -44.330
bonds (distance) P-C4' energy: -44.062
flat angles C4'-P-C4' energy: -41.821
flat angles P-C4'-P energy: -34.029
tors. eta vs tors. theta energy: -54.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -545.329716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.329716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.329716 (E_RNA)
where:
Base-Base interactions energy: -354.171
where: short stacking energy: -175.596
Base-Backbone interact. energy: -0.187
local terms energy: -190.972111
where:
bonds (distance) C4'-P energy: -33.288
bonds (distance) P-C4' energy: -32.784
flat angles C4'-P-C4' energy: -38.371
flat angles P-C4'-P energy: -28.615
tors. eta vs tors. theta energy: -57.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -572.131869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.131869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.131869 (E_RNA)
where:
Base-Base interactions energy: -357.649
where: short stacking energy: -160.985
Base-Backbone interact. energy: -0.048
local terms energy: -214.434547
where:
bonds (distance) C4'-P energy: -40.323
bonds (distance) P-C4' energy: -37.957
flat angles C4'-P-C4' energy: -46.388
flat angles P-C4'-P energy: -35.051
tors. eta vs tors. theta energy: -54.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -498.416604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.416604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.416604 (E_RNA)
where:
Base-Base interactions energy: -326.266
where: short stacking energy: -139.906
Base-Backbone interact. energy: -0.369
local terms energy: -171.781189
where:
bonds (distance) C4'-P energy: -36.935
bonds (distance) P-C4' energy: -37.451
flat angles C4'-P-C4' energy: -39.710
flat angles P-C4'-P energy: -23.378
tors. eta vs tors. theta energy: -34.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -486.402183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.402183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.402183 (E_RNA)
where:
Base-Base interactions energy: -320.563
where: short stacking energy: -132.806
Base-Backbone interact. energy: -0.418
local terms energy: -165.420696
where:
bonds (distance) C4'-P energy: -36.195
bonds (distance) P-C4' energy: -33.512
flat angles C4'-P-C4' energy: -34.295
flat angles P-C4'-P energy: -20.949
tors. eta vs tors. theta energy: -40.469
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: 7, replica: 8
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -248.989493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.989493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.989493 (E_RNA)
where:
Base-Base interactions energy: -104.281
where: short stacking energy: -73.020
Base-Backbone interact. energy: -1.324
local terms energy: -143.384531
where:
bonds (distance) C4'-P energy: -40.010
bonds (distance) P-C4' energy: -41.978
flat angles C4'-P-C4' energy: -31.633
flat angles P-C4'-P energy: -22.242
tors. eta vs tors. theta energy: -7.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -188.016285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.016285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.016285 (E_RNA)
where:
Base-Base interactions energy: -64.093
where: short stacking energy: -40.480
Base-Backbone interact. energy: -0.261
local terms energy: -123.662254
where:
bonds (distance) C4'-P energy: -32.488
bonds (distance) P-C4' energy: -35.353
flat angles C4'-P-C4' energy: -34.712
flat angles P-C4'-P energy: -23.160
tors. eta vs tors. theta energy: 2.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -187.315024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.315024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.315024 (E_RNA)
where:
Base-Base interactions energy: -66.801
where: short stacking energy: -42.267
Base-Backbone interact. energy: -1.175
local terms energy: -119.339487
where:
bonds (distance) C4'-P energy: -38.528
bonds (distance) P-C4' energy: -46.424
flat angles C4'-P-C4' energy: -23.111
flat angles P-C4'-P energy: -17.538
tors. eta vs tors. theta energy: 6.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -176.709616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.709616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.709616 (E_RNA)
where:
Base-Base interactions energy: -56.851
where: short stacking energy: -33.854
Base-Backbone interact. energy: 4.762
local terms energy: -124.619934
where:
bonds (distance) C4'-P energy: -33.990
bonds (distance) P-C4' energy: -42.218
flat angles C4'-P-C4' energy: -27.227
flat angles P-C4'-P energy: -21.275
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: 127
Temperature: 0.900000
Total energy: -628.654175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.654175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.654175 (E_RNA)
where:
Base-Base interactions energy: -425.325
where: short stacking energy: -171.974
Base-Backbone interact. energy: -2.476
local terms energy: -200.853556
where:
bonds (distance) C4'-P energy: -37.217
bonds (distance) P-C4' energy: -38.996
flat angles C4'-P-C4' energy: -41.492
flat angles P-C4'-P energy: -32.590
tors. eta vs tors. theta energy: -50.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -643.646034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.646034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.646034 (E_RNA)
where:
Base-Base interactions energy: -443.197
where: short stacking energy: -190.231
Base-Backbone interact. energy: -1.395
local terms energy: -199.054212
where:
bonds (distance) C4'-P energy: -36.892
bonds (distance) P-C4' energy: -34.865
flat angles C4'-P-C4' energy: -43.481
flat angles P-C4'-P energy: -30.277
tors. eta vs tors. theta energy: -53.538
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: 4
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -547.320704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.320704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.320704 (E_RNA)
where:
Base-Base interactions energy: -346.983
where: short stacking energy: -174.876
Base-Backbone interact. energy: -0.271
local terms energy: -200.066724
where:
bonds (distance) C4'-P energy: -36.646
bonds (distance) P-C4' energy: -41.645
flat angles C4'-P-C4' energy: -40.662
flat angles P-C4'-P energy: -28.761
tors. eta vs tors. theta energy: -52.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -586.915909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.915909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.915909 (E_RNA)
where:
Base-Base interactions energy: -377.166
where: short stacking energy: -178.276
Base-Backbone interact. energy: -0.171
local terms energy: -209.579836
where:
bonds (distance) C4'-P energy: -35.628
bonds (distance) P-C4' energy: -47.414
flat angles C4'-P-C4' energy: -43.952
flat angles P-C4'-P energy: -22.843
tors. eta vs tors. theta energy: -59.743
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: 127
Temperature: 1.100000
Total energy: -529.956510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.956510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.956510 (E_RNA)
where:
Base-Base interactions energy: -352.663
where: short stacking energy: -158.681
Base-Backbone interact. energy: 1.831
local terms energy: -179.123856
where:
bonds (distance) C4'-P energy: -26.389
bonds (distance) P-C4' energy: -40.887
flat angles C4'-P-C4' energy: -41.491
flat angles P-C4'-P energy: -20.288
tors. eta vs tors. theta energy: -50.069
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: 6, replica: 3
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -491.888364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.888364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.888364 (E_RNA)
where:
Base-Base interactions energy: -326.959
where: short stacking energy: -145.097
Base-Backbone interact. energy: 0.660
local terms energy: -165.589741
where:
bonds (distance) C4'-P energy: -33.314
bonds (distance) P-C4' energy: -37.475
flat angles C4'-P-C4' energy: -29.460
flat angles P-C4'-P energy: -27.137
tors. eta vs tors. theta energy: -38.203
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: 8
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -232.594194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.594194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.594194 (E_RNA)
where:
Base-Base interactions energy: -82.099
where: short stacking energy: -78.786
Base-Backbone interact. energy: 0.511
local terms energy: -151.005654
where:
bonds (distance) C4'-P energy: -32.259
bonds (distance) P-C4' energy: -39.784
flat angles C4'-P-C4' energy: -34.911
flat angles P-C4'-P energy: -29.548
tors. eta vs tors. theta energy: -14.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -211.816956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.816956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.816956 (E_RNA)
where:
Base-Base interactions energy: -84.107
where: short stacking energy: -67.183
Base-Backbone interact. energy: -0.341
local terms energy: -127.368962
where:
bonds (distance) C4'-P energy: -34.821
bonds (distance) P-C4' energy: -36.811
flat angles C4'-P-C4' energy: -31.226
flat angles P-C4'-P energy: -22.811
tors. eta vs tors. theta energy: -1.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -198.997701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.997701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.997701 (E_RNA)
where:
Base-Base interactions energy: -78.390
where: short stacking energy: -55.291
Base-Backbone interact. energy: -1.102
local terms energy: -119.506034
where:
bonds (distance) C4'-P energy: -28.569
bonds (distance) P-C4' energy: -36.511
flat angles C4'-P-C4' energy: -32.485
flat angles P-C4'-P energy: -18.025
tors. eta vs tors. theta energy: -3.917
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: 10, replica: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -167.309833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.309833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.309833 (E_RNA)
where:
Base-Base interactions energy: -49.399
where: short stacking energy: -46.302
Base-Backbone interact. energy: -1.411
local terms energy: -116.500248
where:
bonds (distance) C4'-P energy: -31.119
bonds (distance) P-C4' energy: -39.238
flat angles C4'-P-C4' energy: -31.801
flat angles P-C4'-P energy: -18.553
tors. eta vs tors. theta energy: 4.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -636.527706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.527706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.527706 (E_RNA)
where:
Base-Base interactions energy: -442.171
where: short stacking energy: -191.201
Base-Backbone interact. energy: -1.938
local terms energy: -192.418594
where:
bonds (distance) C4'-P energy: -37.259
bonds (distance) P-C4' energy: -37.263
flat angles C4'-P-C4' energy: -37.748
flat angles P-C4'-P energy: -26.261
tors. eta vs tors. theta energy: -53.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -616.146433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.146433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.146433 (E_RNA)
where:
Base-Base interactions energy: -406.920
where: short stacking energy: -176.862
Base-Backbone interact. energy: -2.901
local terms energy: -206.324946
where:
bonds (distance) C4'-P energy: -34.967
bonds (distance) P-C4' energy: -43.058
flat angles C4'-P-C4' energy: -45.571
flat angles P-C4'-P energy: -29.917
tors. eta vs tors. theta energy: -52.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -616.681398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.681398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.681398 (E_RNA)
where:
Base-Base interactions energy: -416.349
where: short stacking energy: -201.877
Base-Backbone interact. energy: -0.409
local terms energy: -199.923612
where:
bonds (distance) C4'-P energy: -37.270
bonds (distance) P-C4' energy: -33.975
flat angles C4'-P-C4' energy: -40.906
flat angles P-C4'-P energy: -28.783
tors. eta vs tors. theta energy: -58.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -537.464216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.464216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.464216 (E_RNA)
where:
Base-Base interactions energy: -361.684
where: short stacking energy: -168.764
Base-Backbone interact. energy: -0.362
local terms energy: -175.417942
where:
bonds (distance) C4'-P energy: -19.435
bonds (distance) P-C4' energy: -41.238
flat angles C4'-P-C4' energy: -40.696
flat angles P-C4'-P energy: -30.198
tors. eta vs tors. theta energy: -43.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -565.210636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.210636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.210636 (E_RNA)
where:
Base-Base interactions energy: -377.014
where: short stacking energy: -163.077
Base-Backbone interact. energy: -0.669
local terms energy: -187.527091
where:
bonds (distance) C4'-P energy: -39.797
bonds (distance) P-C4' energy: -32.533
flat angles C4'-P-C4' energy: -43.907
flat angles P-C4'-P energy: -22.739
tors. eta vs tors. theta energy: -48.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -483.753203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.753203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.753203 (E_RNA)
where:
Base-Base interactions energy: -308.931
where: short stacking energy: -139.178
Base-Backbone interact. energy: -0.444
local terms energy: -174.378092
where:
bonds (distance) C4'-P energy: -33.623
bonds (distance) P-C4' energy: -39.605
flat angles C4'-P-C4' energy: -38.322
flat angles P-C4'-P energy: -23.680
tors. eta vs tors. theta energy: -39.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -200.121188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.121188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.121188 (E_RNA)
where:
Base-Base interactions energy: -71.439
where: short stacking energy: -50.411
Base-Backbone interact. energy: -0.375
local terms energy: -128.306477
where:
bonds (distance) C4'-P energy: -38.411
bonds (distance) P-C4' energy: -38.556
flat angles C4'-P-C4' energy: -33.643
flat angles P-C4'-P energy: -19.589
tors. eta vs tors. theta energy: 1.893
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: 8
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -228.611883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.611883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.611883 (E_RNA)
where:
Base-Base interactions energy: -105.885
where: short stacking energy: -72.052
Base-Backbone interact. energy: 0.480
local terms energy: -123.206800
where:
bonds (distance) C4'-P energy: -30.023
bonds (distance) P-C4' energy: -34.421
flat angles C4'-P-C4' energy: -37.414
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -4.315
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: 128
Temperature: 1.300000
Total energy: -229.942692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.942692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.942692 (E_RNA)
where:
Base-Base interactions energy: -101.883
where: short stacking energy: -60.400
Base-Backbone interact. energy: -0.403
local terms energy: -127.656306
where:
bonds (distance) C4'-P energy: -28.024
bonds (distance) P-C4' energy: -40.237
flat angles C4'-P-C4' energy: -30.378
flat angles P-C4'-P energy: -19.006
tors. eta vs tors. theta energy: -10.012
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: 9
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -178.377752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.377752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.377752 (E_RNA)
where:
Base-Base interactions energy: -55.448
where: short stacking energy: -41.017
Base-Backbone interact. energy: 0.284
local terms energy: -123.213970
where:
bonds (distance) C4'-P energy: -33.831
bonds (distance) P-C4' energy: -38.903
flat angles C4'-P-C4' energy: -30.895
flat angles P-C4'-P energy: -15.605
tors. eta vs tors. theta energy: -3.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -642.095876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.095876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.095876 (E_RNA)
where:
Base-Base interactions energy: -446.750
where: short stacking energy: -186.004
Base-Backbone interact. energy: -1.120
local terms energy: -194.226477
where:
bonds (distance) C4'-P energy: -33.882
bonds (distance) P-C4' energy: -39.859
flat angles C4'-P-C4' energy: -39.322
flat angles P-C4'-P energy: -22.588
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: 2, replica: 7
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -620.584676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.584676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.584676 (E_RNA)
where:
Base-Base interactions energy: -410.871
where: short stacking energy: -188.679
Base-Backbone interact. energy: -1.795
local terms energy: -207.918933
where:
bonds (distance) C4'-P energy: -34.298
bonds (distance) P-C4' energy: -35.649
flat angles C4'-P-C4' energy: -43.172
flat angles P-C4'-P energy: -31.106
tors. eta vs tors. theta energy: -63.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -602.587102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.587102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.587102 (E_RNA)
where:
Base-Base interactions energy: -410.836
where: short stacking energy: -184.124
Base-Backbone interact. energy: -0.985
local terms energy: -190.766113
where:
bonds (distance) C4'-P energy: -31.203
bonds (distance) P-C4' energy: -39.887
flat angles C4'-P-C4' energy: -38.612
flat angles P-C4'-P energy: -29.272
tors. eta vs tors. theta energy: -51.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -562.814404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.814404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.814404 (E_RNA)
where:
Base-Base interactions energy: -364.353
where: short stacking energy: -150.437
Base-Backbone interact. energy: -1.677
local terms energy: -196.783777
where:
bonds (distance) C4'-P energy: -48.193
bonds (distance) P-C4' energy: -37.023
flat angles C4'-P-C4' energy: -36.953
flat angles P-C4'-P energy: -27.938
tors. eta vs tors. theta energy: -46.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -520.275173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.275173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.275173 (E_RNA)
where:
Base-Base interactions energy: -324.811
where: short stacking energy: -164.453
Base-Backbone interact. energy: -0.215
local terms energy: -195.249510
where:
bonds (distance) C4'-P energy: -39.664
bonds (distance) P-C4' energy: -31.747
flat angles C4'-P-C4' energy: -44.062
flat angles P-C4'-P energy: -33.638
tors. eta vs tors. theta energy: -46.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -480.278364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.278364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.278364 (E_RNA)
where:
Base-Base interactions energy: -324.612
where: short stacking energy: -136.521
Base-Backbone interact. energy: -0.786
local terms energy: -154.879883
where:
bonds (distance) C4'-P energy: -33.450
bonds (distance) P-C4' energy: -25.333
flat angles C4'-P-C4' energy: -38.398
flat angles P-C4'-P energy: -25.749
tors. eta vs tors. theta energy: -31.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -234.698583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.698583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.698583 (E_RNA)
where:
Base-Base interactions energy: -106.093
where: short stacking energy: -64.620
Base-Backbone interact. energy: 1.820
local terms energy: -130.425409
where:
bonds (distance) C4'-P energy: -33.585
bonds (distance) P-C4' energy: -41.039
flat angles C4'-P-C4' energy: -35.872
flat angles P-C4'-P energy: -19.017
tors. eta vs tors. theta energy: -0.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -266.168071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.168071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.168071 (E_RNA)
where:
Base-Base interactions energy: -150.098
where: short stacking energy: -76.630
Base-Backbone interact. energy: 1.275
local terms energy: -117.344771
where:
bonds (distance) C4'-P energy: -31.388
bonds (distance) P-C4' energy: -40.873
flat angles C4'-P-C4' energy: -29.681
flat angles P-C4'-P energy: -14.402
tors. eta vs tors. theta energy: -1.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -210.691909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.691909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.691909 (E_RNA)
where:
Base-Base interactions energy: -82.505
where: short stacking energy: -48.413
Base-Backbone interact. energy: -0.438
local terms energy: -127.748220
where:
bonds (distance) C4'-P energy: -40.090
bonds (distance) P-C4' energy: -31.874
flat angles C4'-P-C4' energy: -37.893
flat angles P-C4'-P energy: -14.602
tors. eta vs tors. theta energy: -3.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -182.137748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.137748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.137748 (E_RNA)
where:
Base-Base interactions energy: -73.929
where: short stacking energy: -65.528
Base-Backbone interact. energy: -0.690
local terms energy: -107.518740
where:
bonds (distance) C4'-P energy: -24.299
bonds (distance) P-C4' energy: -36.042
flat angles C4'-P-C4' energy: -30.303
flat angles P-C4'-P energy: -13.910
tors. eta vs tors. theta energy: -2.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -649.164359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.164359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.164359 (E_RNA)
where:
Base-Base interactions energy: -443.466
where: short stacking energy: -187.997
Base-Backbone interact. energy: -0.054
local terms energy: -205.645104
where:
bonds (distance) C4'-P energy: -36.632
bonds (distance) P-C4' energy: -40.211
flat angles C4'-P-C4' energy: -46.707
flat angles P-C4'-P energy: -28.609
tors. eta vs tors. theta energy: -53.486
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: 7
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -626.248129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.248129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.248129 (E_RNA)
where:
Base-Base interactions energy: -413.841
where: short stacking energy: -199.049
Base-Backbone interact. energy: -0.016
local terms energy: -212.391500
where:
bonds (distance) C4'-P energy: -36.375
bonds (distance) P-C4' energy: -42.562
flat angles C4'-P-C4' energy: -43.341
flat angles P-C4'-P energy: -30.078
tors. eta vs tors. theta energy: -60.035
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: 1
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -589.819294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.819294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.819294 (E_RNA)
where:
Base-Base interactions energy: -400.718
where: short stacking energy: -161.414
Base-Backbone interact. energy: -0.348
local terms energy: -188.752925
where:
bonds (distance) C4'-P energy: -39.049
bonds (distance) P-C4' energy: -46.505
flat angles C4'-P-C4' energy: -38.275
flat angles P-C4'-P energy: -19.180
tors. eta vs tors. theta energy: -45.744
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: 2
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -548.668185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.668185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.668185 (E_RNA)
where:
Base-Base interactions energy: -364.084
where: short stacking energy: -164.235
Base-Backbone interact. energy: 0.756
local terms energy: -185.340765
where:
bonds (distance) C4'-P energy: -38.079
bonds (distance) P-C4' energy: -31.837
flat angles C4'-P-C4' energy: -37.668
flat angles P-C4'-P energy: -28.742
tors. eta vs tors. theta energy: -49.015
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: 5, replica: 3
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -517.910250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.910250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.910250 (E_RNA)
where:
Base-Base interactions energy: -330.870
where: short stacking energy: -143.901
Base-Backbone interact. energy: -0.965
local terms energy: -186.075155
where:
bonds (distance) C4'-P energy: -37.459
bonds (distance) P-C4' energy: -32.878
flat angles C4'-P-C4' energy: -44.576
flat angles P-C4'-P energy: -26.455
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: 6, replica: 4
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -513.801153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.801153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.801153 (E_RNA)
where:
Base-Base interactions energy: -335.815
where: short stacking energy: -150.521
Base-Backbone interact. energy: -1.144
local terms energy: -176.841378
where:
bonds (distance) C4'-P energy: -28.697
bonds (distance) P-C4' energy: -30.053
flat angles C4'-P-C4' energy: -36.425
flat angles P-C4'-P energy: -29.346
tors. eta vs tors. theta energy: -52.321
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: 8
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -261.227655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.227655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.227655 (E_RNA)
where:
Base-Base interactions energy: -134.827
where: short stacking energy: -81.424
Base-Backbone interact. energy: 0.880
local terms energy: -127.280288
where:
bonds (distance) C4'-P energy: -29.873
bonds (distance) P-C4' energy: -35.484
flat angles C4'-P-C4' energy: -30.910
flat angles P-C4'-P energy: -17.316
tors. eta vs tors. theta energy: -13.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -208.696132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.696132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.696132 (E_RNA)
where:
Base-Base interactions energy: -75.340
where: short stacking energy: -66.784
Base-Backbone interact. energy: -0.075
local terms energy: -133.281620
where:
bonds (distance) C4'-P energy: -39.217
bonds (distance) P-C4' energy: -37.720
flat angles C4'-P-C4' energy: -31.664
flat angles P-C4'-P energy: -16.701
tors. eta vs tors. theta energy: -7.980
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: 10
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -214.812532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.812532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.812532 (E_RNA)
where:
Base-Base interactions energy: -91.582
where: short stacking energy: -57.469
Base-Backbone interact. energy: -2.313
local terms energy: -120.917830
where:
bonds (distance) C4'-P energy: -32.341
bonds (distance) P-C4' energy: -31.506
flat angles C4'-P-C4' energy: -33.784
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -9.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -200.054048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.054048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.054048 (E_RNA)
where:
Base-Base interactions energy: -83.461
where: short stacking energy: -52.199
Base-Backbone interact. energy: -1.040
local terms energy: -115.553645
where:
bonds (distance) C4'-P energy: -34.091
bonds (distance) P-C4' energy: -42.071
flat angles C4'-P-C4' energy: -22.852
flat angles P-C4'-P energy: -23.185
tors. eta vs tors. theta energy: 6.646
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: 5
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -646.368781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.368781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.368781 (E_RNA)
where:
Base-Base interactions energy: -446.861
where: short stacking energy: -179.043
Base-Backbone interact. energy: -0.986
local terms energy: -198.520922
where:
bonds (distance) C4'-P energy: -36.603
bonds (distance) P-C4' energy: -37.388
flat angles C4'-P-C4' energy: -43.898
flat angles P-C4'-P energy: -28.563
tors. eta vs tors. theta energy: -52.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -632.651805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.651805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.651805 (E_RNA)
where:
Base-Base interactions energy: -419.883
where: short stacking energy: -192.800
Base-Backbone interact. energy: -0.292
local terms energy: -212.476249
where:
bonds (distance) C4'-P energy: -39.543
bonds (distance) P-C4' energy: -35.645
flat angles C4'-P-C4' energy: -38.817
flat angles P-C4'-P energy: -34.155
tors. eta vs tors. theta energy: -64.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -606.789110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.789110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.789110 (E_RNA)
where:
Base-Base interactions energy: -409.582
where: short stacking energy: -193.118
Base-Backbone interact. energy: -0.398
local terms energy: -196.809422
where:
bonds (distance) C4'-P energy: -30.180
bonds (distance) P-C4' energy: -38.995
flat angles C4'-P-C4' energy: -39.263
flat angles P-C4'-P energy: -31.834
tors. eta vs tors. theta energy: -56.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -549.570797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.570797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.570797 (E_RNA)
where:
Base-Base interactions energy: -351.132
where: short stacking energy: -168.627
Base-Backbone interact. energy: -0.108
local terms energy: -198.330644
where:
bonds (distance) C4'-P energy: -45.644
bonds (distance) P-C4' energy: -39.721
flat angles C4'-P-C4' energy: -37.088
flat angles P-C4'-P energy: -25.903
tors. eta vs tors. theta energy: -49.974
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: 131
Temperature: 1.100000
Total energy: -531.211801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.211801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.211801 (E_RNA)
where:
Base-Base interactions energy: -343.282
where: short stacking energy: -137.309
Base-Backbone interact. energy: -0.248
local terms energy: -187.681606
where:
bonds (distance) C4'-P energy: -38.600
bonds (distance) P-C4' energy: -42.508
flat angles C4'-P-C4' energy: -32.268
flat angles P-C4'-P energy: -30.713
tors. eta vs tors. theta energy: -43.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -508.434156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.434156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.434156 (E_RNA)
where:
Base-Base interactions energy: -315.226
where: short stacking energy: -153.341
Base-Backbone interact. energy: -0.204
local terms energy: -193.004564
where:
bonds (distance) C4'-P energy: -40.932
bonds (distance) P-C4' energy: -43.350
flat angles C4'-P-C4' energy: -37.329
flat angles P-C4'-P energy: -19.438
tors. eta vs tors. theta energy: -51.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -322.546732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.546732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.546732 (E_RNA)
where:
Base-Base interactions energy: -188.133
where: short stacking energy: -104.979
Base-Backbone interact. energy: -0.514
local terms energy: -133.899594
where:
bonds (distance) C4'-P energy: -33.995
bonds (distance) P-C4' energy: -19.828
flat angles C4'-P-C4' energy: -31.071
flat angles P-C4'-P energy: -27.186
tors. eta vs tors. theta energy: -21.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -199.728055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.728055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.728055 (E_RNA)
where:
Base-Base interactions energy: -79.685
where: short stacking energy: -76.699
Base-Backbone interact. energy: 0.445
local terms energy: -120.487917
where:
bonds (distance) C4'-P energy: -31.898
bonds (distance) P-C4' energy: -40.240
flat angles C4'-P-C4' energy: -25.482
flat angles P-C4'-P energy: -17.243
tors. eta vs tors. theta energy: -5.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -167.275068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.275068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.275068 (E_RNA)
where:
Base-Base interactions energy: -62.542
where: short stacking energy: -44.857
Base-Backbone interact. energy: 1.367
local terms energy: -106.099591
where:
bonds (distance) C4'-P energy: -33.250
bonds (distance) P-C4' energy: -33.877
flat angles C4'-P-C4' energy: -34.472
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: 7.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -179.094323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.094323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.094323 (E_RNA)
where:
Base-Base interactions energy: -80.157
where: short stacking energy: -39.044
Base-Backbone interact. energy: -0.543
local terms energy: -98.393656
where:
bonds (distance) C4'-P energy: -25.813
bonds (distance) P-C4' energy: -41.387
flat angles C4'-P-C4' energy: -23.149
flat angles P-C4'-P energy: -15.763
tors. eta vs tors. theta energy: 7.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -657.274109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.274109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.274109 (E_RNA)
where:
Base-Base interactions energy: -438.213
where: short stacking energy: -176.115
Base-Backbone interact. energy: -2.811
local terms energy: -216.250731
where:
bonds (distance) C4'-P energy: -44.950
bonds (distance) P-C4' energy: -42.909
flat angles C4'-P-C4' energy: -41.896
flat angles P-C4'-P energy: -30.918
tors. eta vs tors. theta energy: -55.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -642.284365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.284365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.284365 (E_RNA)
where:
Base-Base interactions energy: -420.388
where: short stacking energy: -189.570
Base-Backbone interact. energy: -0.263
local terms energy: -221.634137
where:
bonds (distance) C4'-P energy: -42.825
bonds (distance) P-C4' energy: -42.696
flat angles C4'-P-C4' energy: -48.796
flat angles P-C4'-P energy: -27.088
tors. eta vs tors. theta energy: -60.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -585.423864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.423864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.423864 (E_RNA)
where:
Base-Base interactions energy: -395.983
where: short stacking energy: -163.595
Base-Backbone interact. energy: -1.038
local terms energy: -188.402655
where:
bonds (distance) C4'-P energy: -33.671
bonds (distance) P-C4' energy: -35.008
flat angles C4'-P-C4' energy: -37.160
flat angles P-C4'-P energy: -33.364
tors. eta vs tors. theta energy: -49.200
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: 132
Temperature: 1.050000
Total energy: -544.142286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.142286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.142286 (E_RNA)
where:
Base-Base interactions energy: -355.262
where: short stacking energy: -153.040
Base-Backbone interact. energy: -0.477
local terms energy: -188.403375
where:
bonds (distance) C4'-P energy: -43.064
bonds (distance) P-C4' energy: -38.069
flat angles C4'-P-C4' energy: -37.437
flat angles P-C4'-P energy: -27.866
tors. eta vs tors. theta energy: -41.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -493.433748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.433748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.433748 (E_RNA)
where:
Base-Base interactions energy: -322.951
where: short stacking energy: -151.554
Base-Backbone interact. energy: -1.967
local terms energy: -168.516409
where:
bonds (distance) C4'-P energy: -33.992
bonds (distance) P-C4' energy: -31.039
flat angles C4'-P-C4' energy: -39.734
flat angles P-C4'-P energy: -21.795
tors. eta vs tors. theta energy: -41.956
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: 4
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -494.847898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.847898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.847898 (E_RNA)
where:
Base-Base interactions energy: -319.261
where: short stacking energy: -142.801
Base-Backbone interact. energy: -0.676
local terms energy: -174.911083
where:
bonds (distance) C4'-P energy: -31.521
bonds (distance) P-C4' energy: -39.872
flat angles C4'-P-C4' energy: -37.104
flat angles P-C4'-P energy: -29.092
tors. eta vs tors. theta energy: -37.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -302.601863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.601863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.601863 (E_RNA)
where:
Base-Base interactions energy: -173.886
where: short stacking energy: -86.050
Base-Backbone interact. energy: 0.892
local terms energy: -129.607513
where:
bonds (distance) C4'-P energy: -32.257
bonds (distance) P-C4' energy: -38.348
flat angles C4'-P-C4' energy: -32.992
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -12.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -186.938175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.938175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.938175 (E_RNA)
where:
Base-Base interactions energy: -61.353
where: short stacking energy: -56.740
Base-Backbone interact. energy: -0.586
local terms energy: -124.998343
where:
bonds (distance) C4'-P energy: -39.486
bonds (distance) P-C4' energy: -38.660
flat angles C4'-P-C4' energy: -28.093
flat angles P-C4'-P energy: -16.960
tors. eta vs tors. theta energy: -1.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -192.714202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.714202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.714202 (E_RNA)
where:
Base-Base interactions energy: -77.891
where: short stacking energy: -43.400
Base-Backbone interact. energy: -0.178
local terms energy: -114.645532
where:
bonds (distance) C4'-P energy: -32.152
bonds (distance) P-C4' energy: -31.052
flat angles C4'-P-C4' energy: -32.778
flat angles P-C4'-P energy: -19.905
tors. eta vs tors. theta energy: 1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -178.603791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.603791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.603791 (E_RNA)
where:
Base-Base interactions energy: -65.261
where: short stacking energy: -61.698
Base-Backbone interact. energy: 1.107
local terms energy: -114.449834
where:
bonds (distance) C4'-P energy: -39.620
bonds (distance) P-C4' energy: -31.250
flat angles C4'-P-C4' energy: -25.439
flat angles P-C4'-P energy: -17.839
tors. eta vs tors. theta energy: -0.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -639.838816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.838816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.838816 (E_RNA)
where:
Base-Base interactions energy: -435.728
where: short stacking energy: -182.086
Base-Backbone interact. energy: -0.767
local terms energy: -203.343129
where:
bonds (distance) C4'-P energy: -37.285
bonds (distance) P-C4' energy: -37.819
flat angles C4'-P-C4' energy: -47.591
flat angles P-C4'-P energy: -29.099
tors. eta vs tors. theta energy: -51.549
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: 133
Temperature: 0.950000
Total energy: -634.441336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.441336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.441336 (E_RNA)
where:
Base-Base interactions energy: -421.834
where: short stacking energy: -198.292
Base-Backbone interact. energy: -1.359
local terms energy: -211.247887
where:
bonds (distance) C4'-P energy: -36.223
bonds (distance) P-C4' energy: -39.997
flat angles C4'-P-C4' energy: -42.637
flat angles P-C4'-P energy: -32.353
tors. eta vs tors. theta energy: -60.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -599.298645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.298645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.298645 (E_RNA)
where:
Base-Base interactions energy: -401.160
where: short stacking energy: -176.507
Base-Backbone interact. energy: -0.990
local terms energy: -197.149142
where:
bonds (distance) C4'-P energy: -36.544
bonds (distance) P-C4' energy: -39.598
flat angles C4'-P-C4' energy: -41.069
flat angles P-C4'-P energy: -27.675
tors. eta vs tors. theta energy: -52.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -542.125451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.125451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.125451 (E_RNA)
where:
Base-Base interactions energy: -352.390
where: short stacking energy: -155.732
Base-Backbone interact. energy: 0.013
local terms energy: -189.748753
where:
bonds (distance) C4'-P energy: -37.143
bonds (distance) P-C4' energy: -38.106
flat angles C4'-P-C4' energy: -42.555
flat angles P-C4'-P energy: -30.679
tors. eta vs tors. theta energy: -41.266
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: 2
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -497.930892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.930892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.930892 (E_RNA)
where:
Base-Base interactions energy: -333.851
where: short stacking energy: -144.933
Base-Backbone interact. energy: -0.556
local terms energy: -163.523307
where:
bonds (distance) C4'-P energy: -33.568
bonds (distance) P-C4' energy: -30.403
flat angles C4'-P-C4' energy: -35.307
flat angles P-C4'-P energy: -26.447
tors. eta vs tors. theta energy: -37.798
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: 6, replica: 4
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -511.913770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.913770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.913770 (E_RNA)
where:
Base-Base interactions energy: -332.970
where: short stacking energy: -161.546
Base-Backbone interact. energy: -0.632
local terms energy: -178.311761
where:
bonds (distance) C4'-P energy: -29.088
bonds (distance) P-C4' energy: -37.109
flat angles C4'-P-C4' energy: -37.351
flat angles P-C4'-P energy: -24.083
tors. eta vs tors. theta energy: -50.680
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: 7, replica: 8
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -239.350815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.350815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.350815 (E_RNA)
where:
Base-Base interactions energy: -111.983
where: short stacking energy: -62.923
Base-Backbone interact. energy: -0.449
local terms energy: -126.918990
where:
bonds (distance) C4'-P energy: -41.022
bonds (distance) P-C4' energy: -32.794
flat angles C4'-P-C4' energy: -38.942
flat angles P-C4'-P energy: -14.551
tors. eta vs tors. theta energy: 0.390
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: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -243.221285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.221285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.221285 (E_RNA)
where:
Base-Base interactions energy: -100.833
where: short stacking energy: -64.317
Base-Backbone interact. energy: 3.307
local terms energy: -145.694656
where:
bonds (distance) C4'-P energy: -37.622
bonds (distance) P-C4' energy: -41.456
flat angles C4'-P-C4' energy: -29.206
flat angles P-C4'-P energy: -28.497
tors. eta vs tors. theta energy: -8.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -181.842184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.842184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.842184 (E_RNA)
where:
Base-Base interactions energy: -59.136
where: short stacking energy: -47.724
Base-Backbone interact. energy: -0.616
local terms energy: -122.090696
where:
bonds (distance) C4'-P energy: -40.518
bonds (distance) P-C4' energy: -30.210
flat angles C4'-P-C4' energy: -32.798
flat angles P-C4'-P energy: -24.804
tors. eta vs tors. theta energy: 6.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -206.124268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.124268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.124268 (E_RNA)
where:
Base-Base interactions energy: -92.141
where: short stacking energy: -68.516
Base-Backbone interact. energy: 1.332
local terms energy: -115.315789
where:
bonds (distance) C4'-P energy: -29.423
bonds (distance) P-C4' energy: -35.941
flat angles C4'-P-C4' energy: -24.732
flat angles P-C4'-P energy: -18.464
tors. eta vs tors. theta energy: -6.757
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: 5
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -656.583313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.583313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.583313 (E_RNA)
where:
Base-Base interactions energy: -447.323
where: short stacking energy: -187.385
Base-Backbone interact. energy: -1.288
local terms energy: -207.972234
where:
bonds (distance) C4'-P energy: -42.218
bonds (distance) P-C4' energy: -40.672
flat angles C4'-P-C4' energy: -42.145
flat angles P-C4'-P energy: -25.891
tors. eta vs tors. theta energy: -57.045
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: 7
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -617.689717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.689717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.689717 (E_RNA)
where:
Base-Base interactions energy: -401.641
where: short stacking energy: -194.819
Base-Backbone interact. energy: -0.002
local terms energy: -216.046767
where:
bonds (distance) C4'-P energy: -39.126
bonds (distance) P-C4' energy: -39.357
flat angles C4'-P-C4' energy: -48.247
flat angles P-C4'-P energy: -26.475
tors. eta vs tors. theta energy: -62.843
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: 1
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -585.602831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.602831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.602831 (E_RNA)
where:
Base-Base interactions energy: -390.570
where: short stacking energy: -164.528
Base-Backbone interact. energy: 0.025
local terms energy: -195.057035
where:
bonds (distance) C4'-P energy: -38.829
bonds (distance) P-C4' energy: -42.673
flat angles C4'-P-C4' energy: -37.227
flat angles P-C4'-P energy: -30.178
tors. eta vs tors. theta energy: -46.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -506.836591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.836591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.836591 (E_RNA)
where:
Base-Base interactions energy: -319.360
where: short stacking energy: -146.250
Base-Backbone interact. energy: 0.075
local terms energy: -187.552190
where:
bonds (distance) C4'-P energy: -37.102
bonds (distance) P-C4' energy: -32.761
flat angles C4'-P-C4' energy: -39.471
flat angles P-C4'-P energy: -34.016
tors. eta vs tors. theta energy: -44.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -530.844268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.844268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.844268 (E_RNA)
where:
Base-Base interactions energy: -338.439
where: short stacking energy: -161.755
Base-Backbone interact. energy: -1.082
local terms energy: -191.323636
where:
bonds (distance) C4'-P energy: -32.267
bonds (distance) P-C4' energy: -43.877
flat angles C4'-P-C4' energy: -39.673
flat angles P-C4'-P energy: -22.390
tors. eta vs tors. theta energy: -53.117
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: 2
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -499.758588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.758588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.758588 (E_RNA)
where:
Base-Base interactions energy: -317.135
where: short stacking energy: -140.464
Base-Backbone interact. energy: -2.043
local terms energy: -180.580615
where:
bonds (distance) C4'-P energy: -30.474
bonds (distance) P-C4' energy: -30.551
flat angles C4'-P-C4' energy: -45.352
flat angles P-C4'-P energy: -32.022
tors. eta vs tors. theta energy: -42.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -275.201173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.201173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.201173 (E_RNA)
where:
Base-Base interactions energy: -149.694
where: short stacking energy: -92.214
Base-Backbone interact. energy: -0.878
local terms energy: -124.629036
where:
bonds (distance) C4'-P energy: -35.650
bonds (distance) P-C4' energy: -26.366
flat angles C4'-P-C4' energy: -25.231
flat angles P-C4'-P energy: -22.045
tors. eta vs tors. theta energy: -15.337
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: 8, replica: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -223.286639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.286639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.286639 (E_RNA)
where:
Base-Base interactions energy: -93.302
where: short stacking energy: -58.340
Base-Backbone interact. energy: -1.388
local terms energy: -128.596442
where:
bonds (distance) C4'-P energy: -37.830
bonds (distance) P-C4' energy: -40.455
flat angles C4'-P-C4' energy: -31.181
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -6.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -177.637951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.637951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.637951 (E_RNA)
where:
Base-Base interactions energy: -65.020
where: short stacking energy: -36.259
Base-Backbone interact. energy: -0.412
local terms energy: -112.206454
where:
bonds (distance) C4'-P energy: -38.765
bonds (distance) P-C4' energy: -37.181
flat angles C4'-P-C4' energy: -38.357
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: 13.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -176.773863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.773863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.773863 (E_RNA)
where:
Base-Base interactions energy: -69.799
where: short stacking energy: -60.316
Base-Backbone interact. energy: 1.674
local terms energy: -108.648604
where:
bonds (distance) C4'-P energy: -29.651
bonds (distance) P-C4' energy: -32.354
flat angles C4'-P-C4' energy: -28.753
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: -5.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -650.905457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.905457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.905457 (E_RNA)
where:
Base-Base interactions energy: -444.186
where: short stacking energy: -187.303
Base-Backbone interact. energy: 0.291
local terms energy: -207.010260
where:
bonds (distance) C4'-P energy: -34.116
bonds (distance) P-C4' energy: -39.943
flat angles C4'-P-C4' energy: -47.595
flat angles P-C4'-P energy: -30.057
tors. eta vs tors. theta energy: -55.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -610.073737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.073737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.073737 (E_RNA)
where:
Base-Base interactions energy: -398.761
where: short stacking energy: -187.400
Base-Backbone interact. energy: -0.282
local terms energy: -211.030872
where:
bonds (distance) C4'-P energy: -40.451
bonds (distance) P-C4' energy: -42.304
flat angles C4'-P-C4' energy: -41.358
flat angles P-C4'-P energy: -28.181
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: 3, replica: 1
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -585.862927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.862927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.862927 (E_RNA)
where:
Base-Base interactions energy: -387.525
where: short stacking energy: -176.092
Base-Backbone interact. energy: 2.926
local terms energy: -201.263673
where:
bonds (distance) C4'-P energy: -42.034
bonds (distance) P-C4' energy: -36.641
flat angles C4'-P-C4' energy: -43.378
flat angles P-C4'-P energy: -28.819
tors. eta vs tors. theta energy: -50.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -531.542989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.542989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.542989 (E_RNA)
where:
Base-Base interactions energy: -340.633
where: short stacking energy: -164.868
Base-Backbone interact. energy: -0.301
local terms energy: -190.609027
where:
bonds (distance) C4'-P energy: -38.335
bonds (distance) P-C4' energy: -38.135
flat angles C4'-P-C4' energy: -40.895
flat angles P-C4'-P energy: -21.748
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: 5, replica: 3
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -534.717274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.717274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.717274 (E_RNA)
where:
Base-Base interactions energy: -357.210
where: short stacking energy: -164.631
Base-Backbone interact. energy: -0.499
local terms energy: -177.008254
where:
bonds (distance) C4'-P energy: -31.561
bonds (distance) P-C4' energy: -41.289
flat angles C4'-P-C4' energy: -37.018
flat angles P-C4'-P energy: -19.438
tors. eta vs tors. theta energy: -47.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -487.944202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.944202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.944202 (E_RNA)
where:
Base-Base interactions energy: -315.204
where: short stacking energy: -124.652
Base-Backbone interact. energy: -0.039
local terms energy: -172.700536
where:
bonds (distance) C4'-P energy: -39.968
bonds (distance) P-C4' energy: -34.195
flat angles C4'-P-C4' energy: -41.671
flat angles P-C4'-P energy: -24.927
tors. eta vs tors. theta energy: -31.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -268.306917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.306917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.306917 (E_RNA)
where:
Base-Base interactions energy: -122.083
where: short stacking energy: -68.991
Base-Backbone interact. energy: -0.690
local terms energy: -145.533938
where:
bonds (distance) C4'-P energy: -38.312
bonds (distance) P-C4' energy: -40.082
flat angles C4'-P-C4' energy: -38.402
flat angles P-C4'-P energy: -20.178
tors. eta vs tors. theta energy: -8.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -207.210735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.210735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.210735 (E_RNA)
where:
Base-Base interactions energy: -85.796
where: short stacking energy: -64.774
Base-Backbone interact. energy: -0.907
local terms energy: -120.507015
where:
bonds (distance) C4'-P energy: -34.464
bonds (distance) P-C4' energy: -41.285
flat angles C4'-P-C4' energy: -27.394
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: -3.116
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: 135
Temperature: 1.300000
Total energy: -196.080340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.080340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.080340 (E_RNA)
where:
Base-Base interactions energy: -73.251
where: short stacking energy: -71.703
Base-Backbone interact. energy: -0.060
local terms energy: -122.768909
where:
bonds (distance) C4'-P energy: -36.893
bonds (distance) P-C4' energy: -32.636
flat angles C4'-P-C4' energy: -28.966
flat angles P-C4'-P energy: -21.147
tors. eta vs tors. theta energy: -3.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -183.862123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.862123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.862123 (E_RNA)
where:
Base-Base interactions energy: -66.587
where: short stacking energy: -56.492
Base-Backbone interact. energy: -1.013
local terms energy: -116.262629
where:
bonds (distance) C4'-P energy: -36.428
bonds (distance) P-C4' energy: -41.821
flat angles C4'-P-C4' energy: -22.786
flat angles P-C4'-P energy: -17.056
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: 5
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -655.137370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.137370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.137370 (E_RNA)
where:
Base-Base interactions energy: -445.431
where: short stacking energy: -189.510
Base-Backbone interact. energy: -3.128
local terms energy: -206.577747
where:
bonds (distance) C4'-P energy: -42.779
bonds (distance) P-C4' energy: -34.297
flat angles C4'-P-C4' energy: -44.076
flat angles P-C4'-P energy: -29.426
tors. eta vs tors. theta energy: -56.000
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: 2, replica: 7
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -613.463979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.463979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.463979 (E_RNA)
where:
Base-Base interactions energy: -395.298
where: short stacking energy: -186.751
Base-Backbone interact. energy: 2.405
local terms energy: -220.571340
where:
bonds (distance) C4'-P energy: -40.597
bonds (distance) P-C4' energy: -36.406
flat angles C4'-P-C4' energy: -46.900
flat angles P-C4'-P energy: -33.697
tors. eta vs tors. theta energy: -62.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -597.555292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.555292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.555292 (E_RNA)
where:
Base-Base interactions energy: -407.652
where: short stacking energy: -166.980
Base-Backbone interact. energy: -0.534
local terms energy: -189.369360
where:
bonds (distance) C4'-P energy: -35.429
bonds (distance) P-C4' energy: -46.525
flat angles C4'-P-C4' energy: -45.186
flat angles P-C4'-P energy: -19.614
tors. eta vs tors. theta energy: -42.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -545.343582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.343582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.343582 (E_RNA)
where:
Base-Base interactions energy: -352.930
where: short stacking energy: -172.153
Base-Backbone interact. energy: -0.316
local terms energy: -192.097561
where:
bonds (distance) C4'-P energy: -39.012
bonds (distance) P-C4' energy: -36.715
flat angles C4'-P-C4' energy: -40.493
flat angles P-C4'-P energy: -21.599
tors. eta vs tors. theta energy: -54.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -493.886658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.886658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.886658 (E_RNA)
where:
Base-Base interactions energy: -318.081
where: short stacking energy: -135.650
Base-Backbone interact. energy: 3.734
local terms energy: -179.539858
where:
bonds (distance) C4'-P energy: -33.475
bonds (distance) P-C4' energy: -42.155
flat angles C4'-P-C4' energy: -40.957
flat angles P-C4'-P energy: -25.276
tors. eta vs tors. theta energy: -37.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -510.953437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.953437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.953437 (E_RNA)
where:
Base-Base interactions energy: -336.178
where: short stacking energy: -143.954
Base-Backbone interact. energy: 0.202
local terms energy: -174.977608
where:
bonds (distance) C4'-P energy: -31.274
bonds (distance) P-C4' energy: -32.110
flat angles C4'-P-C4' energy: -45.020
flat angles P-C4'-P energy: -25.399
tors. eta vs tors. theta energy: -41.174
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: 8
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -248.909019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.909019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.909019 (E_RNA)
where:
Base-Base interactions energy: -116.033
where: short stacking energy: -60.337
Base-Backbone interact. energy: -0.531
local terms energy: -132.345087
where:
bonds (distance) C4'-P energy: -29.623
bonds (distance) P-C4' energy: -38.770
flat angles C4'-P-C4' energy: -44.568
flat angles P-C4'-P energy: -16.229
tors. eta vs tors. theta energy: -3.154
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: 136
Temperature: 1.250000
Total energy: -260.090881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.090881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.090881 (E_RNA)
where:
Base-Base interactions energy: -136.149
where: short stacking energy: -87.466
Base-Backbone interact. energy: 1.392
local terms energy: -125.333317
where:
bonds (distance) C4'-P energy: -24.551
bonds (distance) P-C4' energy: -32.435
flat angles C4'-P-C4' energy: -34.942
flat angles P-C4'-P energy: -22.891
tors. eta vs tors. theta energy: -10.515
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: 136
Temperature: 1.300000
Total energy: -219.687665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.687665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.687665 (E_RNA)
where:
Base-Base interactions energy: -107.684
where: short stacking energy: -56.477
Base-Backbone interact. energy: -0.370
local terms energy: -111.633872
where:
bonds (distance) C4'-P energy: -33.865
bonds (distance) P-C4' energy: -26.102
flat angles C4'-P-C4' energy: -27.928
flat angles P-C4'-P energy: -27.693
tors. eta vs tors. theta energy: 3.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -169.786617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.786617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.786617 (E_RNA)
where:
Base-Base interactions energy: -70.841
where: short stacking energy: -44.203
Base-Backbone interact. energy: 0.604
local terms energy: -99.549516
where:
bonds (distance) C4'-P energy: -30.777
bonds (distance) P-C4' energy: -34.324
flat angles C4'-P-C4' energy: -28.275
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: 1.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -656.831095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.831095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.831095 (E_RNA)
where:
Base-Base interactions energy: -450.112
where: short stacking energy: -182.187
Base-Backbone interact. energy: -0.585
local terms energy: -206.133589
where:
bonds (distance) C4'-P energy: -35.860
bonds (distance) P-C4' energy: -39.133
flat angles C4'-P-C4' energy: -44.770
flat angles P-C4'-P energy: -26.790
tors. eta vs tors. theta energy: -59.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -611.555659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.555659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.555659 (E_RNA)
where:
Base-Base interactions energy: -404.049
where: short stacking energy: -176.908
Base-Backbone interact. energy: -0.054
local terms energy: -207.452367
where:
bonds (distance) C4'-P energy: -41.173
bonds (distance) P-C4' energy: -39.636
flat angles C4'-P-C4' energy: -40.626
flat angles P-C4'-P energy: -29.747
tors. eta vs tors. theta energy: -56.271
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: 137
Temperature: 1.000000
Total energy: -570.031030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.031030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.031030 (E_RNA)
where:
Base-Base interactions energy: -365.060
where: short stacking energy: -171.625
Base-Backbone interact. energy: -0.429
local terms energy: -204.542114
where:
bonds (distance) C4'-P energy: -37.575
bonds (distance) P-C4' energy: -46.286
flat angles C4'-P-C4' energy: -44.443
flat angles P-C4'-P energy: -24.330
tors. eta vs tors. theta energy: -51.907
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: 4
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -555.924217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.924217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.924217 (E_RNA)
where:
Base-Base interactions energy: -338.333
where: short stacking energy: -182.675
Base-Backbone interact. energy: -0.331
local terms energy: -217.260725
where:
bonds (distance) C4'-P energy: -47.605
bonds (distance) P-C4' energy: -40.078
flat angles C4'-P-C4' energy: -37.939
flat angles P-C4'-P energy: -30.080
tors. eta vs tors. theta energy: -61.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -524.857270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.857270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.857270 (E_RNA)
where:
Base-Base interactions energy: -344.203
where: short stacking energy: -161.163
Base-Backbone interact. energy: 0.399
local terms energy: -181.053256
where:
bonds (distance) C4'-P energy: -36.179
bonds (distance) P-C4' energy: -35.431
flat angles C4'-P-C4' energy: -39.584
flat angles P-C4'-P energy: -26.757
tors. eta vs tors. theta energy: -43.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -482.414330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.414330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.414330 (E_RNA)
where:
Base-Base interactions energy: -306.731
where: short stacking energy: -125.412
Base-Backbone interact. energy: -0.860
local terms energy: -174.823503
where:
bonds (distance) C4'-P energy: -38.857
bonds (distance) P-C4' energy: -34.195
flat angles C4'-P-C4' energy: -41.864
flat angles P-C4'-P energy: -22.381
tors. eta vs tors. theta energy: -37.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -264.061349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.061349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.061349 (E_RNA)
where:
Base-Base interactions energy: -124.074
where: short stacking energy: -59.886
Base-Backbone interact. energy: -1.550
local terms energy: -138.437388
where:
bonds (distance) C4'-P energy: -33.388
bonds (distance) P-C4' energy: -36.784
flat angles C4'-P-C4' energy: -38.424
flat angles P-C4'-P energy: -23.187
tors. eta vs tors. theta energy: -6.654
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: 137
Temperature: 1.250000
Total energy: -228.973563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.973563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.973563 (E_RNA)
where:
Base-Base interactions energy: -101.989
where: short stacking energy: -54.372
Base-Backbone interact. energy: -0.667
local terms energy: -126.317877
where:
bonds (distance) C4'-P energy: -36.429
bonds (distance) P-C4' energy: -39.993
flat angles C4'-P-C4' energy: -26.063
flat angles P-C4'-P energy: -16.103
tors. eta vs tors. theta energy: -7.730
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: 9
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -179.866240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.866240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.866240 (E_RNA)
where:
Base-Base interactions energy: -71.713
where: short stacking energy: -46.033
Base-Backbone interact. energy: -1.450
local terms energy: -106.703142
where:
bonds (distance) C4'-P energy: -29.999
bonds (distance) P-C4' energy: -42.936
flat angles C4'-P-C4' energy: -32.034
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: 7.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -184.825544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.825544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.825544 (E_RNA)
where:
Base-Base interactions energy: -57.409
where: short stacking energy: -45.058
Base-Backbone interact. energy: -1.096
local terms energy: -126.320600
where:
bonds (distance) C4'-P energy: -37.113
bonds (distance) P-C4' energy: -36.586
flat angles C4'-P-C4' energy: -32.049
flat angles P-C4'-P energy: -21.424
tors. eta vs tors. theta energy: 0.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -646.955121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.955121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.955121 (E_RNA)
where:
Base-Base interactions energy: -442.142
where: short stacking energy: -194.785
Base-Backbone interact. energy: -2.969
local terms energy: -201.844827
where:
bonds (distance) C4'-P energy: -35.110
bonds (distance) P-C4' energy: -39.964
flat angles C4'-P-C4' energy: -42.900
flat angles P-C4'-P energy: -26.485
tors. eta vs tors. theta energy: -57.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -623.171153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.171153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.171153 (E_RNA)
where:
Base-Base interactions energy: -426.332
where: short stacking energy: -193.170
Base-Backbone interact. energy: -0.774
local terms energy: -196.065026
where:
bonds (distance) C4'-P energy: -31.249
bonds (distance) P-C4' energy: -39.745
flat angles C4'-P-C4' energy: -41.657
flat angles P-C4'-P energy: -26.688
tors. eta vs tors. theta energy: -56.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -594.133888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.133888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.133888 (E_RNA)
where:
Base-Base interactions energy: -394.327
where: short stacking energy: -182.222
Base-Backbone interact. energy: -0.698
local terms energy: -199.109131
where:
bonds (distance) C4'-P energy: -38.453
bonds (distance) P-C4' energy: -38.064
flat angles C4'-P-C4' energy: -42.099
flat angles P-C4'-P energy: -27.668
tors. eta vs tors. theta energy: -52.826
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: 4
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -537.633035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.633035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.633035 (E_RNA)
where:
Base-Base interactions energy: -341.572
where: short stacking energy: -160.583
Base-Backbone interact. energy: -0.700
local terms energy: -195.361543
where:
bonds (distance) C4'-P energy: -38.203
bonds (distance) P-C4' energy: -37.759
flat angles C4'-P-C4' energy: -46.077
flat angles P-C4'-P energy: -25.492
tors. eta vs tors. theta energy: -47.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -522.903442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.903442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.903442 (E_RNA)
where:
Base-Base interactions energy: -339.944
where: short stacking energy: -149.544
Base-Backbone interact. energy: 4.145
local terms energy: -187.104681
where:
bonds (distance) C4'-P energy: -29.704
bonds (distance) P-C4' energy: -40.333
flat angles C4'-P-C4' energy: -45.865
flat angles P-C4'-P energy: -26.051
tors. eta vs tors. theta energy: -45.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -493.162831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.162831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.162831 (E_RNA)
where:
Base-Base interactions energy: -319.502
where: short stacking energy: -137.369
Base-Backbone interact. energy: -1.099
local terms energy: -172.561394
where:
bonds (distance) C4'-P energy: -35.915
bonds (distance) P-C4' energy: -35.807
flat angles C4'-P-C4' energy: -38.566
flat angles P-C4'-P energy: -26.446
tors. eta vs tors. theta energy: -35.827
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: 7, replica: 8
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -265.771935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.771935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.771935 (E_RNA)
where:
Base-Base interactions energy: -133.374
where: short stacking energy: -76.091
Base-Backbone interact. energy: 1.367
local terms energy: -133.764868
where:
bonds (distance) C4'-P energy: -38.928
bonds (distance) P-C4' energy: -32.179
flat angles C4'-P-C4' energy: -36.215
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -13.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -226.303415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.303415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.303415 (E_RNA)
where:
Base-Base interactions energy: -100.326
where: short stacking energy: -77.436
Base-Backbone interact. energy: -0.615
local terms energy: -125.362660
where:
bonds (distance) C4'-P energy: -25.258
bonds (distance) P-C4' energy: -43.448
flat angles C4'-P-C4' energy: -33.097
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -9.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -181.649997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.649997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.649997 (E_RNA)
where:
Base-Base interactions energy: -73.292
where: short stacking energy: -51.175
Base-Backbone interact. energy: 0.129
local terms energy: -108.486697
where:
bonds (distance) C4'-P energy: -42.058
bonds (distance) P-C4' energy: -36.984
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: 0.659
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: 138
Temperature: 1.350000
Total energy: -191.048070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.048070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.048070 (E_RNA)
where:
Base-Base interactions energy: -70.321
where: short stacking energy: -54.494
Base-Backbone interact. energy: -0.196
local terms energy: -120.531199
where:
bonds (distance) C4'-P energy: -31.731
bonds (distance) P-C4' energy: -33.151
flat angles C4'-P-C4' energy: -32.271
flat angles P-C4'-P energy: -25.515
tors. eta vs tors. theta energy: 2.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -642.714166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.714166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.714166 (E_RNA)
where:
Base-Base interactions energy: -437.669
where: short stacking energy: -179.725
Base-Backbone interact. energy: -2.371
local terms energy: -202.673835
where:
bonds (distance) C4'-P energy: -37.653
bonds (distance) P-C4' energy: -39.203
flat angles C4'-P-C4' energy: -44.980
flat angles P-C4'-P energy: -28.787
tors. eta vs tors. theta energy: -52.051
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: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -626.571970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.571970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.571970 (E_RNA)
where:
Base-Base interactions energy: -428.827
where: short stacking energy: -189.958
Base-Backbone interact. energy: -0.081
local terms energy: -197.663674
where:
bonds (distance) C4'-P energy: -38.166
bonds (distance) P-C4' energy: -38.164
flat angles C4'-P-C4' energy: -43.918
flat angles P-C4'-P energy: -24.230
tors. eta vs tors. theta energy: -53.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -610.019592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.019592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.019592 (E_RNA)
where:
Base-Base interactions energy: -415.037
where: short stacking energy: -198.327
Base-Backbone interact. energy: -0.206
local terms energy: -194.776421
where:
bonds (distance) C4'-P energy: -40.750
bonds (distance) P-C4' energy: -32.123
flat angles C4'-P-C4' energy: -37.386
flat angles P-C4'-P energy: -27.094
tors. eta vs tors. theta energy: -57.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -554.033283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.033283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.033283 (E_RNA)
where:
Base-Base interactions energy: -352.304
where: short stacking energy: -172.548
Base-Backbone interact. energy: -0.505
local terms energy: -201.224411
where:
bonds (distance) C4'-P energy: -37.291
bonds (distance) P-C4' energy: -38.492
flat angles C4'-P-C4' energy: -44.124
flat angles P-C4'-P energy: -30.785
tors. eta vs tors. theta energy: -50.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -509.561897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.561897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.561897 (E_RNA)
where:
Base-Base interactions energy: -325.885
where: short stacking energy: -141.424
Base-Backbone interact. energy: -1.265
local terms energy: -182.411792
where:
bonds (distance) C4'-P energy: -35.789
bonds (distance) P-C4' energy: -39.897
flat angles C4'-P-C4' energy: -39.127
flat angles P-C4'-P energy: -25.663
tors. eta vs tors. theta energy: -41.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -473.496271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.496271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.496271 (E_RNA)
where:
Base-Base interactions energy: -295.013
where: short stacking energy: -120.755
Base-Backbone interact. energy: -0.326
local terms energy: -178.157129
where:
bonds (distance) C4'-P energy: -39.992
bonds (distance) P-C4' energy: -40.442
flat angles C4'-P-C4' energy: -33.760
flat angles P-C4'-P energy: -28.447
tors. eta vs tors. theta energy: -35.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -278.599155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.599155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.599155 (E_RNA)
where:
Base-Base interactions energy: -140.888
where: short stacking energy: -76.807
Base-Backbone interact. energy: -0.959
local terms energy: -136.751920
where:
bonds (distance) C4'-P energy: -39.562
bonds (distance) P-C4' energy: -32.095
flat angles C4'-P-C4' energy: -31.773
flat angles P-C4'-P energy: -22.629
tors. eta vs tors. theta energy: -10.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -197.176345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.176345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.176345 (E_RNA)
where:
Base-Base interactions energy: -86.158
where: short stacking energy: -79.484
Base-Backbone interact. energy: -0.632
local terms energy: -110.386361
where:
bonds (distance) C4'-P energy: -32.897
bonds (distance) P-C4' energy: -25.747
flat angles C4'-P-C4' energy: -35.977
flat angles P-C4'-P energy: -12.346
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: 9, replica: 6
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -192.300013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.300013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.300013 (E_RNA)
where:
Base-Base interactions energy: -75.261
where: short stacking energy: -47.003
Base-Backbone interact. energy: -0.225
local terms energy: -116.814522
where:
bonds (distance) C4'-P energy: -19.647
bonds (distance) P-C4' energy: -40.322
flat angles C4'-P-C4' energy: -37.780
flat angles P-C4'-P energy: -17.628
tors. eta vs tors. theta energy: -1.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -173.010646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.010646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.010646 (E_RNA)
where:
Base-Base interactions energy: -52.035
where: short stacking energy: -41.273
Base-Backbone interact. energy: -1.224
local terms energy: -119.752327
where:
bonds (distance) C4'-P energy: -33.136
bonds (distance) P-C4' energy: -34.293
flat angles C4'-P-C4' energy: -26.989
flat angles P-C4'-P energy: -25.511
tors. eta vs tors. theta energy: 0.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -639.377606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.377606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.377606 (E_RNA)
where:
Base-Base interactions energy: -432.362
where: short stacking energy: -181.593
Base-Backbone interact. energy: -2.224
local terms energy: -204.791152
where:
bonds (distance) C4'-P energy: -31.480
bonds (distance) P-C4' energy: -44.768
flat angles C4'-P-C4' energy: -42.138
flat angles P-C4'-P energy: -32.819
tors. eta vs tors. theta energy: -53.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -640.795971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.795971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.795971 (E_RNA)
where:
Base-Base interactions energy: -445.603
where: short stacking energy: -186.478
Base-Backbone interact. energy: -0.953
local terms energy: -194.239954
where:
bonds (distance) C4'-P energy: -37.205
bonds (distance) P-C4' energy: -32.826
flat angles C4'-P-C4' energy: -36.950
flat angles P-C4'-P energy: -29.672
tors. eta vs tors. theta energy: -57.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -612.125652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.125652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.125652 (E_RNA)
where:
Base-Base interactions energy: -402.397
where: short stacking energy: -192.679
Base-Backbone interact. energy: -0.700
local terms energy: -209.028306
where:
bonds (distance) C4'-P energy: -35.794
bonds (distance) P-C4' energy: -42.552
flat angles C4'-P-C4' energy: -36.468
flat angles P-C4'-P energy: -35.415
tors. eta vs tors. theta energy: -58.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -532.454269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.454269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.454269 (E_RNA)
where:
Base-Base interactions energy: -338.581
where: short stacking energy: -167.315
Base-Backbone interact. energy: -0.315
local terms energy: -193.558441
where:
bonds (distance) C4'-P energy: -31.109
bonds (distance) P-C4' energy: -43.981
flat angles C4'-P-C4' energy: -39.824
flat angles P-C4'-P energy: -26.046
tors. eta vs tors. theta energy: -52.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -504.073630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.073630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.073630 (E_RNA)
where:
Base-Base interactions energy: -327.476
where: short stacking energy: -143.771
Base-Backbone interact. energy: 7.561
local terms energy: -184.159113
where:
bonds (distance) C4'-P energy: -34.469
bonds (distance) P-C4' energy: -39.360
flat angles C4'-P-C4' energy: -40.026
flat angles P-C4'-P energy: -30.018
tors. eta vs tors. theta energy: -40.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -510.723410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.723410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.723410 (E_RNA)
where:
Base-Base interactions energy: -330.402
where: short stacking energy: -142.444
Base-Backbone interact. energy: -0.469
local terms energy: -179.852550
where:
bonds (distance) C4'-P energy: -31.037
bonds (distance) P-C4' energy: -35.074
flat angles C4'-P-C4' energy: -42.511
flat angles P-C4'-P energy: -25.024
tors. eta vs tors. theta energy: -46.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -227.324852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.324852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.324852 (E_RNA)
where:
Base-Base interactions energy: -101.803
where: short stacking energy: -62.949
Base-Backbone interact. energy: -0.773
local terms energy: -124.749362
where:
bonds (distance) C4'-P energy: -33.513
bonds (distance) P-C4' energy: -38.244
flat angles C4'-P-C4' energy: -29.737
flat angles P-C4'-P energy: -19.641
tors. eta vs tors. theta energy: -3.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -202.514791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.514791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.514791 (E_RNA)
where:
Base-Base interactions energy: -99.452
where: short stacking energy: -62.234
Base-Backbone interact. energy: 4.522
local terms energy: -107.584931
where:
bonds (distance) C4'-P energy: -35.656
bonds (distance) P-C4' energy: -24.966
flat angles C4'-P-C4' energy: -26.100
flat angles P-C4'-P energy: -19.105
tors. eta vs tors. theta energy: -1.756
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: 140
Temperature: 1.300000
Total energy: -181.846470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.846470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.846470 (E_RNA)
where:
Base-Base interactions energy: -56.402
where: short stacking energy: -45.298
Base-Backbone interact. energy: 1.825
local terms energy: -127.270081
where:
bonds (distance) C4'-P energy: -36.869
bonds (distance) P-C4' energy: -36.039
flat angles C4'-P-C4' energy: -34.496
flat angles P-C4'-P energy: -21.710
tors. eta vs tors. theta energy: 1.844
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: 140
Temperature: 1.350000
Total energy: -167.891819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.891819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.891819 (E_RNA)
where:
Base-Base interactions energy: -74.608
where: short stacking energy: -50.542
Base-Backbone interact. energy: 0.067
local terms energy: -93.350961
where:
bonds (distance) C4'-P energy: -23.389
bonds (distance) P-C4' energy: -33.954
flat angles C4'-P-C4' energy: -25.878
flat angles P-C4'-P energy: -18.973
tors. eta vs tors. theta energy: 8.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -638.064486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.064486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.064486 (E_RNA)
where:
Base-Base interactions energy: -443.474
where: short stacking energy: -193.898
Base-Backbone interact. energy: 0.647
local terms energy: -195.237313
where:
bonds (distance) C4'-P energy: -37.335
bonds (distance) P-C4' energy: -32.447
flat angles C4'-P-C4' energy: -40.699
flat angles P-C4'-P energy: -28.664
tors. eta vs tors. theta energy: -56.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -631.766713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.766713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.766713 (E_RNA)
where:
Base-Base interactions energy: -425.114
where: short stacking energy: -173.150
Base-Backbone interact. energy: -2.351
local terms energy: -204.302260
where:
bonds (distance) C4'-P energy: -43.609
bonds (distance) P-C4' energy: -40.531
flat angles C4'-P-C4' energy: -42.643
flat angles P-C4'-P energy: -26.870
tors. eta vs tors. theta energy: -50.650
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: 7
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -615.931152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.931152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.931152 (E_RNA)
where:
Base-Base interactions energy: -412.099
where: short stacking energy: -206.824
Base-Backbone interact. energy: -0.206
local terms energy: -203.625779
where:
bonds (distance) C4'-P energy: -37.978
bonds (distance) P-C4' energy: -36.017
flat angles C4'-P-C4' energy: -43.334
flat angles P-C4'-P energy: -24.621
tors. eta vs tors. theta energy: -61.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -507.577974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.577974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.577974 (E_RNA)
where:
Base-Base interactions energy: -306.266
where: short stacking energy: -119.818
Base-Backbone interact. energy: -1.645
local terms energy: -199.667023
where:
bonds (distance) C4'-P energy: -39.587
bonds (distance) P-C4' energy: -44.587
flat angles C4'-P-C4' energy: -40.748
flat angles P-C4'-P energy: -34.551
tors. eta vs tors. theta energy: -40.193
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: 4
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -526.012957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.012957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.012957 (E_RNA)
where:
Base-Base interactions energy: -322.923
where: short stacking energy: -162.285
Base-Backbone interact. energy: -0.350
local terms energy: -202.739993
where:
bonds (distance) C4'-P energy: -33.506
bonds (distance) P-C4' energy: -35.456
flat angles C4'-P-C4' energy: -42.826
flat angles P-C4'-P energy: -31.921
tors. eta vs tors. theta energy: -59.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -488.412166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.412166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.412166 (E_RNA)
where:
Base-Base interactions energy: -316.250
where: short stacking energy: -134.227
Base-Backbone interact. energy: 1.066
local terms energy: -173.228071
where:
bonds (distance) C4'-P energy: -41.644
bonds (distance) P-C4' energy: -36.019
flat angles C4'-P-C4' energy: -36.840
flat angles P-C4'-P energy: -24.364
tors. eta vs tors. theta energy: -34.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -254.975038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.975038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.975038 (E_RNA)
where:
Base-Base interactions energy: -116.768
where: short stacking energy: -88.901
Base-Backbone interact. energy: 1.434
local terms energy: -139.640541
where:
bonds (distance) C4'-P energy: -29.552
bonds (distance) P-C4' energy: -36.843
flat angles C4'-P-C4' energy: -36.312
flat angles P-C4'-P energy: -23.071
tors. eta vs tors. theta energy: -13.862
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: 8, replica: 9
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -205.104036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.104036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.104036 (E_RNA)
where:
Base-Base interactions energy: -89.166
where: short stacking energy: -73.168
Base-Backbone interact. energy: 0.409
local terms energy: -116.347446
where:
bonds (distance) C4'-P energy: -23.658
bonds (distance) P-C4' energy: -34.300
flat angles C4'-P-C4' energy: -30.404
flat angles P-C4'-P energy: -15.157
tors. eta vs tors. theta energy: -12.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -198.976273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.976273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.976273 (E_RNA)
where:
Base-Base interactions energy: -81.313
where: short stacking energy: -60.207
Base-Backbone interact. energy: -0.159
local terms energy: -117.504468
where:
bonds (distance) C4'-P energy: -30.268
bonds (distance) P-C4' energy: -36.793
flat angles C4'-P-C4' energy: -35.959
flat angles P-C4'-P energy: -22.418
tors. eta vs tors. theta energy: 7.933
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: 141
Temperature: 1.350000
Total energy: -166.913720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.913720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.913720 (E_RNA)
where:
Base-Base interactions energy: -58.649
where: short stacking energy: -45.438
Base-Backbone interact. energy: -2.075
local terms energy: -106.189986
where:
bonds (distance) C4'-P energy: -28.767
bonds (distance) P-C4' energy: -39.061
flat angles C4'-P-C4' energy: -30.943
flat angles P-C4'-P energy: -15.426
tors. eta vs tors. theta energy: 8.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -644.378725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.378725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.378725 (E_RNA)
where:
Base-Base interactions energy: -430.131
where: short stacking energy: -198.237
Base-Backbone interact. energy: -2.454
local terms energy: -211.793655
where:
bonds (distance) C4'-P energy: -43.432
bonds (distance) P-C4' energy: -33.757
flat angles C4'-P-C4' energy: -39.582
flat angles P-C4'-P energy: -37.370
tors. eta vs tors. theta energy: -57.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -620.776957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.776957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.776957 (E_RNA)
where:
Base-Base interactions energy: -423.616
where: short stacking energy: -180.717
Base-Backbone interact. energy: 0.056
local terms energy: -197.217249
where:
bonds (distance) C4'-P energy: -44.117
bonds (distance) P-C4' energy: -40.547
flat angles C4'-P-C4' energy: -39.687
flat angles P-C4'-P energy: -24.480
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: 3, replica: 7
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -607.679726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.679726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.679726 (E_RNA)
where:
Base-Base interactions energy: -394.569
where: short stacking energy: -184.921
Base-Backbone interact. energy: -0.440
local terms energy: -212.670911
where:
bonds (distance) C4'-P energy: -37.055
bonds (distance) P-C4' energy: -37.039
flat angles C4'-P-C4' energy: -47.958
flat angles P-C4'-P energy: -32.825
tors. eta vs tors. theta energy: -57.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -512.429167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.429167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.429167 (E_RNA)
where:
Base-Base interactions energy: -326.735
where: short stacking energy: -136.090
Base-Backbone interact. energy: -1.124
local terms energy: -184.570036
where:
bonds (distance) C4'-P energy: -41.092
bonds (distance) P-C4' energy: -42.925
flat angles C4'-P-C4' energy: -37.476
flat angles P-C4'-P energy: -16.222
tors. eta vs tors. theta energy: -46.855
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: 5, replica: 4
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -522.835703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.835703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.835703 (E_RNA)
where:
Base-Base interactions energy: -336.665
where: short stacking energy: -172.464
Base-Backbone interact. energy: -1.505
local terms energy: -184.665954
where:
bonds (distance) C4'-P energy: -30.610
bonds (distance) P-C4' energy: -38.042
flat angles C4'-P-C4' energy: -43.867
flat angles P-C4'-P energy: -18.446
tors. eta vs tors. theta energy: -53.701
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: 3
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -454.713114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.713114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.713114 (E_RNA)
where:
Base-Base interactions energy: -291.539
where: short stacking energy: -135.623
Base-Backbone interact. energy: -0.585
local terms energy: -162.588835
where:
bonds (distance) C4'-P energy: -32.346
bonds (distance) P-C4' energy: -36.055
flat angles C4'-P-C4' energy: -37.450
flat angles P-C4'-P energy: -23.145
tors. eta vs tors. theta energy: -33.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -242.727185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.727185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.727185 (E_RNA)
where:
Base-Base interactions energy: -120.770
where: short stacking energy: -64.988
Base-Backbone interact. energy: -1.313
local terms energy: -120.644167
where:
bonds (distance) C4'-P energy: -37.717
bonds (distance) P-C4' energy: -27.058
flat angles C4'-P-C4' energy: -29.331
flat angles P-C4'-P energy: -29.008
tors. eta vs tors. theta energy: 2.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -200.550234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.550234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.550234 (E_RNA)
where:
Base-Base interactions energy: -65.670
where: short stacking energy: -59.875
Base-Backbone interact. energy: -0.520
local terms energy: -134.360203
where:
bonds (distance) C4'-P energy: -35.500
bonds (distance) P-C4' energy: -39.039
flat angles C4'-P-C4' energy: -33.693
flat angles P-C4'-P energy: -21.434
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: 9, replica: 6
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -177.654256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.654256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.654256 (E_RNA)
where:
Base-Base interactions energy: -60.740
where: short stacking energy: -26.263
Base-Backbone interact. energy: -0.459
local terms energy: -116.455289
where:
bonds (distance) C4'-P energy: -39.735
bonds (distance) P-C4' energy: -34.835
flat angles C4'-P-C4' energy: -25.375
flat angles P-C4'-P energy: -23.348
tors. eta vs tors. theta energy: 6.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -152.072621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.072621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.072621 (E_RNA)
where:
Base-Base interactions energy: -59.165
where: short stacking energy: -47.123
Base-Backbone interact. energy: -0.936
local terms energy: -91.971646
where:
bonds (distance) C4'-P energy: -34.461
bonds (distance) P-C4' energy: -28.379
flat angles C4'-P-C4' energy: -32.007
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: 12.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -646.170775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.170775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.170775 (E_RNA)
where:
Base-Base interactions energy: -428.017
where: short stacking energy: -174.415
Base-Backbone interact. energy: -0.337
local terms energy: -217.817128
where:
bonds (distance) C4'-P energy: -46.309
bonds (distance) P-C4' energy: -36.657
flat angles C4'-P-C4' energy: -41.015
flat angles P-C4'-P energy: -36.941
tors. eta vs tors. theta energy: -56.894
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: 2, replica: 1
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -619.120731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.120731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.120731 (E_RNA)
where:
Base-Base interactions energy: -414.160
where: short stacking energy: -188.325
Base-Backbone interact. energy: -0.576
local terms energy: -204.384551
where:
bonds (distance) C4'-P energy: -37.979
bonds (distance) P-C4' energy: -41.692
flat angles C4'-P-C4' energy: -40.915
flat angles P-C4'-P energy: -27.690
tors. eta vs tors. theta energy: -56.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -612.035707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.035707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.035707 (E_RNA)
where:
Base-Base interactions energy: -398.010
where: short stacking energy: -196.705
Base-Backbone interact. energy: -1.554
local terms energy: -212.472277
where:
bonds (distance) C4'-P energy: -35.198
bonds (distance) P-C4' energy: -46.490
flat angles C4'-P-C4' energy: -40.983
flat angles P-C4'-P energy: -27.252
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: 4, replica: 4
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -541.037539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.037539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.037539 (E_RNA)
where:
Base-Base interactions energy: -353.847
where: short stacking energy: -159.238
Base-Backbone interact. energy: -0.822
local terms energy: -186.368350
where:
bonds (distance) C4'-P energy: -37.715
bonds (distance) P-C4' energy: -38.849
flat angles C4'-P-C4' energy: -42.129
flat angles P-C4'-P energy: -20.296
tors. eta vs tors. theta energy: -47.380
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: 143
Temperature: 1.100000
Total energy: -505.510674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.510674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.510674 (E_RNA)
where:
Base-Base interactions energy: -336.900
where: short stacking energy: -148.093
Base-Backbone interact. energy: -1.090
local terms energy: -167.520899
where:
bonds (distance) C4'-P energy: -34.814
bonds (distance) P-C4' energy: -22.962
flat angles C4'-P-C4' energy: -43.968
flat angles P-C4'-P energy: -23.769
tors. eta vs tors. theta energy: -42.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -468.397489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.397489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.397489 (E_RNA)
where:
Base-Base interactions energy: -294.411
where: short stacking energy: -136.551
Base-Backbone interact. energy: -0.118
local terms energy: -173.869083
where:
bonds (distance) C4'-P energy: -31.595
bonds (distance) P-C4' energy: -36.822
flat angles C4'-P-C4' energy: -40.814
flat angles P-C4'-P energy: -25.176
tors. eta vs tors. theta energy: -39.461
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: 8
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -258.646326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.646326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.646326 (E_RNA)
where:
Base-Base interactions energy: -124.700
where: short stacking energy: -69.550
Base-Backbone interact. energy: -1.497
local terms energy: -132.449393
where:
bonds (distance) C4'-P energy: -41.294
bonds (distance) P-C4' energy: -41.966
flat angles C4'-P-C4' energy: -26.066
flat angles P-C4'-P energy: -18.858
tors. eta vs tors. theta energy: -4.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -202.635880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.635880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.635880 (E_RNA)
where:
Base-Base interactions energy: -80.039
where: short stacking energy: -71.026
Base-Backbone interact. energy: 1.729
local terms energy: -124.325239
where:
bonds (distance) C4'-P energy: -33.961
bonds (distance) P-C4' energy: -40.643
flat angles C4'-P-C4' energy: -25.875
flat angles P-C4'-P energy: -18.578
tors. eta vs tors. theta energy: -5.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -183.203505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.203505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.203505 (E_RNA)
where:
Base-Base interactions energy: -52.633
where: short stacking energy: -47.521
Base-Backbone interact. energy: -0.800
local terms energy: -129.770864
where:
bonds (distance) C4'-P energy: -37.224
bonds (distance) P-C4' energy: -40.265
flat angles C4'-P-C4' energy: -31.529
flat angles P-C4'-P energy: -25.536
tors. eta vs tors. theta energy: 4.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -167.314322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.314322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.314322 (E_RNA)
where:
Base-Base interactions energy: -72.852
where: short stacking energy: -41.956
Base-Backbone interact. energy: 4.534
local terms energy: -98.996409
where:
bonds (distance) C4'-P energy: -37.324
bonds (distance) P-C4' energy: -26.193
flat angles C4'-P-C4' energy: -33.051
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: 10.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -647.045636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.045636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.045636 (E_RNA)
where:
Base-Base interactions energy: -431.765
where: short stacking energy: -191.314
Base-Backbone interact. energy: -1.245
local terms energy: -214.035863
where:
bonds (distance) C4'-P energy: -41.636
bonds (distance) P-C4' energy: -45.746
flat angles C4'-P-C4' energy: -45.817
flat angles P-C4'-P energy: -28.148
tors. eta vs tors. theta energy: -52.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -615.522209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.522209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.522209 (E_RNA)
where:
Base-Base interactions energy: -408.071
where: short stacking energy: -187.217
Base-Backbone interact. energy: -1.013
local terms energy: -206.437799
where:
bonds (distance) C4'-P energy: -40.021
bonds (distance) P-C4' energy: -38.780
flat angles C4'-P-C4' energy: -41.410
flat angles P-C4'-P energy: -33.236
tors. eta vs tors. theta energy: -52.991
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: 4
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -563.181586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.181586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.181586 (E_RNA)
where:
Base-Base interactions energy: -359.197
where: short stacking energy: -171.535
Base-Backbone interact. energy: -0.494
local terms energy: -203.491311
where:
bonds (distance) C4'-P energy: -35.467
bonds (distance) P-C4' energy: -43.076
flat angles C4'-P-C4' energy: -38.576
flat angles P-C4'-P energy: -28.365
tors. eta vs tors. theta energy: -58.008
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: 7
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -573.500171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.500171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.500171 (E_RNA)
where:
Base-Base interactions energy: -382.968
where: short stacking energy: -171.172
Base-Backbone interact. energy: -0.296
local terms energy: -190.236367
where:
bonds (distance) C4'-P energy: -31.651
bonds (distance) P-C4' energy: -35.156
flat angles C4'-P-C4' energy: -44.020
flat angles P-C4'-P energy: -32.925
tors. eta vs tors. theta energy: -46.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -490.738744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.738744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.738744 (E_RNA)
where:
Base-Base interactions energy: -304.760
where: short stacking energy: -131.917
Base-Backbone interact. energy: -0.441
local terms energy: -185.537695
where:
bonds (distance) C4'-P energy: -35.253
bonds (distance) P-C4' energy: -41.624
flat angles C4'-P-C4' energy: -37.778
flat angles P-C4'-P energy: -29.174
tors. eta vs tors. theta energy: -41.709
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: 2
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -452.491099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.491099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.491099 (E_RNA)
where:
Base-Base interactions energy: -296.512
where: short stacking energy: -115.213
Base-Backbone interact. energy: 1.120
local terms energy: -157.099542
where:
bonds (distance) C4'-P energy: -35.978
bonds (distance) P-C4' energy: -39.974
flat angles C4'-P-C4' energy: -27.451
flat angles P-C4'-P energy: -24.955
tors. eta vs tors. theta energy: -28.742
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: 8
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -284.114005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.114005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.114005 (E_RNA)
where:
Base-Base interactions energy: -147.718
where: short stacking energy: -83.246
Base-Backbone interact. energy: -0.531
local terms energy: -135.865077
where:
bonds (distance) C4'-P energy: -26.004
bonds (distance) P-C4' energy: -34.813
flat angles C4'-P-C4' energy: -34.176
flat angles P-C4'-P energy: -25.398
tors. eta vs tors. theta energy: -15.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -195.477944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.477944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.477944 (E_RNA)
where:
Base-Base interactions energy: -74.217
where: short stacking energy: -69.373
Base-Backbone interact. energy: -0.631
local terms energy: -120.628997
where:
bonds (distance) C4'-P energy: -29.505
bonds (distance) P-C4' energy: -36.786
flat angles C4'-P-C4' energy: -19.621
flat angles P-C4'-P energy: -26.550
tors. eta vs tors. theta energy: -8.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -177.796815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.796815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.796815 (E_RNA)
where:
Base-Base interactions energy: -69.311
where: short stacking energy: -63.244
Base-Backbone interact. energy: -0.671
local terms energy: -107.814749
where:
bonds (distance) C4'-P energy: -37.200
bonds (distance) P-C4' energy: -32.688
flat angles C4'-P-C4' energy: -33.843
flat angles P-C4'-P energy: -2.436
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: 10, replica: 6
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -174.480960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.480960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.480960 (E_RNA)
where:
Base-Base interactions energy: -54.819
where: short stacking energy: -49.731
Base-Backbone interact. energy: 1.598
local terms energy: -121.259117
where:
bonds (distance) C4'-P energy: -31.577
bonds (distance) P-C4' energy: -36.738
flat angles C4'-P-C4' energy: -22.065
flat angles P-C4'-P energy: -30.102
tors. eta vs tors. theta energy: -0.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -653.687039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.687039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.687039 (E_RNA)
where:
Base-Base interactions energy: -441.074
where: short stacking energy: -198.666
Base-Backbone interact. energy: -0.370
local terms energy: -212.243017
where:
bonds (distance) C4'-P energy: -42.427
bonds (distance) P-C4' energy: -40.959
flat angles C4'-P-C4' energy: -46.524
flat angles P-C4'-P energy: -26.983
tors. eta vs tors. theta energy: -55.350
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: 145
Temperature: 0.950000
Total energy: -615.892814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.892814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.892814 (E_RNA)
where:
Base-Base interactions energy: -416.410
where: short stacking energy: -180.691
Base-Backbone interact. energy: -0.404
local terms energy: -199.078757
where:
bonds (distance) C4'-P energy: -37.946
bonds (distance) P-C4' energy: -39.753
flat angles C4'-P-C4' energy: -43.715
flat angles P-C4'-P energy: -26.820
tors. eta vs tors. theta energy: -50.843
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: 4
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -576.600241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.600241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.600241 (E_RNA)
where:
Base-Base interactions energy: -362.901
where: short stacking energy: -191.418
Base-Backbone interact. energy: -0.274
local terms energy: -213.424924
where:
bonds (distance) C4'-P energy: -39.081
bonds (distance) P-C4' energy: -32.217
flat angles C4'-P-C4' energy: -43.779
flat angles P-C4'-P energy: -34.371
tors. eta vs tors. theta energy: -63.977
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: 7
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -566.719451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.719451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.719451 (E_RNA)
where:
Base-Base interactions energy: -365.225
where: short stacking energy: -179.275
Base-Backbone interact. energy: -0.678
local terms energy: -200.816555
where:
bonds (distance) C4'-P energy: -36.643
bonds (distance) P-C4' energy: -44.294
flat angles C4'-P-C4' energy: -43.237
flat angles P-C4'-P energy: -24.365
tors. eta vs tors. theta energy: -52.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -517.718593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.718593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.718593 (E_RNA)
where:
Base-Base interactions energy: -336.246
where: short stacking energy: -159.972
Base-Backbone interact. energy: -0.245
local terms energy: -181.227313
where:
bonds (distance) C4'-P energy: -32.391
bonds (distance) P-C4' energy: -36.595
flat angles C4'-P-C4' energy: -39.470
flat angles P-C4'-P energy: -29.633
tors. eta vs tors. theta energy: -43.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -440.720959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.720959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.720959 (E_RNA)
where:
Base-Base interactions energy: -270.823
where: short stacking energy: -127.661
Base-Backbone interact. energy: -1.152
local terms energy: -168.745816
where:
bonds (distance) C4'-P energy: -35.387
bonds (distance) P-C4' energy: -38.743
flat angles C4'-P-C4' energy: -36.260
flat angles P-C4'-P energy: -23.799
tors. eta vs tors. theta energy: -34.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -262.477521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.477521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.477521 (E_RNA)
where:
Base-Base interactions energy: -135.608
where: short stacking energy: -82.953
Base-Backbone interact. energy: 1.110
local terms energy: -127.979707
where:
bonds (distance) C4'-P energy: -38.327
bonds (distance) P-C4' energy: -32.524
flat angles C4'-P-C4' energy: -35.762
flat angles P-C4'-P energy: -18.547
tors. eta vs tors. theta energy: -2.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -196.881522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.881522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.881522 (E_RNA)
where:
Base-Base interactions energy: -71.438
where: short stacking energy: -49.124
Base-Backbone interact. energy: -0.827
local terms energy: -124.616519
where:
bonds (distance) C4'-P energy: -39.076
bonds (distance) P-C4' energy: -33.900
flat angles C4'-P-C4' energy: -31.158
flat angles P-C4'-P energy: -19.365
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: 9, replica: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -171.191743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.191743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.191743 (E_RNA)
where:
Base-Base interactions energy: -45.262
where: short stacking energy: -39.031
Base-Backbone interact. energy: -0.705
local terms energy: -125.224721
where:
bonds (distance) C4'-P energy: -35.764
bonds (distance) P-C4' energy: -38.214
flat angles C4'-P-C4' energy: -36.366
flat angles P-C4'-P energy: -22.239
tors. eta vs tors. theta energy: 7.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -186.857554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.857554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.857554 (E_RNA)
where:
Base-Base interactions energy: -62.394
where: short stacking energy: -44.546
Base-Backbone interact. energy: -1.078
local terms energy: -123.385052
where:
bonds (distance) C4'-P energy: -37.099
bonds (distance) P-C4' energy: -36.305
flat angles C4'-P-C4' energy: -31.242
flat angles P-C4'-P energy: -19.560
tors. eta vs tors. theta energy: 0.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -613.500459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.500459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.500459 (E_RNA)
where:
Base-Base interactions energy: -412.983
where: short stacking energy: -179.595
Base-Backbone interact. energy: 0.043
local terms energy: -200.560865
where:
bonds (distance) C4'-P energy: -42.776
bonds (distance) P-C4' energy: -37.518
flat angles C4'-P-C4' energy: -38.879
flat angles P-C4'-P energy: -27.274
tors. eta vs tors. theta energy: -54.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -631.933234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.933234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.933234 (E_RNA)
where:
Base-Base interactions energy: -428.156
where: short stacking energy: -169.892
Base-Backbone interact. energy: -1.622
local terms energy: -202.154872
where:
bonds (distance) C4'-P energy: -39.625
bonds (distance) P-C4' energy: -42.410
flat angles C4'-P-C4' energy: -42.381
flat angles P-C4'-P energy: -25.434
tors. eta vs tors. theta energy: -52.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -623.001264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.001264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.001264 (E_RNA)
where:
Base-Base interactions energy: -410.931
where: short stacking energy: -184.602
Base-Backbone interact. energy: -0.881
local terms energy: -211.189734
where:
bonds (distance) C4'-P energy: -37.344
bonds (distance) P-C4' energy: -40.836
flat angles C4'-P-C4' energy: -44.410
flat angles P-C4'-P energy: -27.486
tors. eta vs tors. theta energy: -61.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -537.111758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.111758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.111758 (E_RNA)
where:
Base-Base interactions energy: -349.430
where: short stacking energy: -169.580
Base-Backbone interact. energy: -0.334
local terms energy: -187.347798
where:
bonds (distance) C4'-P energy: -37.113
bonds (distance) P-C4' energy: -36.624
flat angles C4'-P-C4' energy: -45.531
flat angles P-C4'-P energy: -15.591
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: 146
Temperature: 1.100000
Total energy: -504.434030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.434030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.434030 (E_RNA)
where:
Base-Base interactions energy: -349.577
where: short stacking energy: -140.422
Base-Backbone interact. energy: -0.620
local terms energy: -154.237261
where:
bonds (distance) C4'-P energy: -35.416
bonds (distance) P-C4' energy: -28.286
flat angles C4'-P-C4' energy: -31.027
flat angles P-C4'-P energy: -26.238
tors. eta vs tors. theta energy: -33.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -411.681569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.681569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.681569 (E_RNA)
where:
Base-Base interactions energy: -262.093
where: short stacking energy: -128.439
Base-Backbone interact. energy: 1.576
local terms energy: -151.164117
where:
bonds (distance) C4'-P energy: -38.238
bonds (distance) P-C4' energy: -34.367
flat angles C4'-P-C4' energy: -33.281
flat angles P-C4'-P energy: -19.496
tors. eta vs tors. theta energy: -25.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -223.124379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.124379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.124379 (E_RNA)
where:
Base-Base interactions energy: -82.563
where: short stacking energy: -65.777
Base-Backbone interact. energy: 0.804
local terms energy: -141.364603
where:
bonds (distance) C4'-P energy: -34.944
bonds (distance) P-C4' energy: -42.066
flat angles C4'-P-C4' energy: -29.142
flat angles P-C4'-P energy: -21.128
tors. eta vs tors. theta energy: -14.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -272.290192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.290192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.290192 (E_RNA)
where:
Base-Base interactions energy: -134.077
where: short stacking energy: -71.130
Base-Backbone interact. energy: -0.024
local terms energy: -138.188764
where:
bonds (distance) C4'-P energy: -44.986
bonds (distance) P-C4' energy: -40.188
flat angles C4'-P-C4' energy: -27.165
flat angles P-C4'-P energy: -17.213
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: 146
Temperature: 1.300000
Total energy: -181.056510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.056510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.056510 (E_RNA)
where:
Base-Base interactions energy: -66.903
where: short stacking energy: -65.615
Base-Backbone interact. energy: -0.547
local terms energy: -113.606366
where:
bonds (distance) C4'-P energy: -37.086
bonds (distance) P-C4' energy: -26.161
flat angles C4'-P-C4' energy: -29.569
flat angles P-C4'-P energy: -15.245
tors. eta vs tors. theta energy: -5.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -176.416186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.416186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.416186 (E_RNA)
where:
Base-Base interactions energy: -60.425
where: short stacking energy: -28.118
Base-Backbone interact. energy: -0.947
local terms energy: -115.044244
where:
bonds (distance) C4'-P energy: -35.638
bonds (distance) P-C4' energy: -33.800
flat angles C4'-P-C4' energy: -31.710
flat angles P-C4'-P energy: -18.436
tors. eta vs tors. theta energy: 4.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -621.235817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.235817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.235817 (E_RNA)
where:
Base-Base interactions energy: -405.789
where: short stacking energy: -192.001
Base-Backbone interact. energy: -0.105
local terms energy: -215.341328
where:
bonds (distance) C4'-P energy: -41.990
bonds (distance) P-C4' energy: -44.920
flat angles C4'-P-C4' energy: -44.085
flat angles P-C4'-P energy: -29.826
tors. eta vs tors. theta energy: -54.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -642.626408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.626408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.626408 (E_RNA)
where:
Base-Base interactions energy: -439.315
where: short stacking energy: -175.823
Base-Backbone interact. energy: -0.554
local terms energy: -202.758181
where:
bonds (distance) C4'-P energy: -42.885
bonds (distance) P-C4' energy: -41.357
flat angles C4'-P-C4' energy: -44.526
flat angles P-C4'-P energy: -20.467
tors. eta vs tors. theta energy: -53.523
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: 7
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -634.051713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.051713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.051713 (E_RNA)
where:
Base-Base interactions energy: -405.651
where: short stacking energy: -196.037
Base-Backbone interact. energy: -1.286
local terms energy: -227.115037
where:
bonds (distance) C4'-P energy: -39.603
bonds (distance) P-C4' energy: -44.151
flat angles C4'-P-C4' energy: -46.868
flat angles P-C4'-P energy: -30.202
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: 4, replica: 4
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -550.163507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.163507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.163507 (E_RNA)
where:
Base-Base interactions energy: -353.734
where: short stacking energy: -180.404
Base-Backbone interact. energy: -0.345
local terms energy: -196.084515
where:
bonds (distance) C4'-P energy: -36.411
bonds (distance) P-C4' energy: -35.860
flat angles C4'-P-C4' energy: -43.343
flat angles P-C4'-P energy: -27.733
tors. eta vs tors. theta energy: -52.738
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: 5, replica: 3
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -486.056325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.056325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.056325 (E_RNA)
where:
Base-Base interactions energy: -315.366
where: short stacking energy: -145.002
Base-Backbone interact. energy: -1.315
local terms energy: -169.375650
where:
bonds (distance) C4'-P energy: -33.334
bonds (distance) P-C4' energy: -38.683
flat angles C4'-P-C4' energy: -37.479
flat angles P-C4'-P energy: -20.805
tors. eta vs tors. theta energy: -39.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -371.854075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.854075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.854075 (E_RNA)
where:
Base-Base interactions energy: -219.117
where: short stacking energy: -105.360
Base-Backbone interact. energy: -1.247
local terms energy: -151.490469
where:
bonds (distance) C4'-P energy: -30.949
bonds (distance) P-C4' energy: -38.842
flat angles C4'-P-C4' energy: -37.214
flat angles P-C4'-P energy: -23.676
tors. eta vs tors. theta energy: -20.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -232.755437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.755437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.755437 (E_RNA)
where:
Base-Base interactions energy: -94.636
where: short stacking energy: -84.504
Base-Backbone interact. energy: -0.796
local terms energy: -137.322992
where:
bonds (distance) C4'-P energy: -33.677
bonds (distance) P-C4' energy: -41.310
flat angles C4'-P-C4' energy: -30.802
flat angles P-C4'-P energy: -19.352
tors. eta vs tors. theta energy: -12.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -244.408462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.408462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.408462 (E_RNA)
where:
Base-Base interactions energy: -118.299
where: short stacking energy: -76.672
Base-Backbone interact. energy: -1.302
local terms energy: -124.807056
where:
bonds (distance) C4'-P energy: -31.392
bonds (distance) P-C4' energy: -32.900
flat angles C4'-P-C4' energy: -34.543
flat angles P-C4'-P energy: -16.281
tors. eta vs tors. theta energy: -9.692
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: 9, replica: 9
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -189.482707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.482707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.482707 (E_RNA)
where:
Base-Base interactions energy: -67.266
where: short stacking energy: -59.256
Base-Backbone interact. energy: -0.649
local terms energy: -121.567163
where:
bonds (distance) C4'-P energy: -30.718
bonds (distance) P-C4' energy: -31.499
flat angles C4'-P-C4' energy: -37.164
flat angles P-C4'-P energy: -16.612
tors. eta vs tors. theta energy: -5.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -179.209450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.209450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.209450 (E_RNA)
where:
Base-Base interactions energy: -63.512
where: short stacking energy: -58.645
Base-Backbone interact. energy: -0.403
local terms energy: -115.293898
where:
bonds (distance) C4'-P energy: -31.997
bonds (distance) P-C4' energy: -37.617
flat angles C4'-P-C4' energy: -29.360
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -3.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -661.620516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.620516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.620516 (E_RNA)
where:
Base-Base interactions energy: -443.117
where: short stacking energy: -170.939
Base-Backbone interact. energy: 0.407
local terms energy: -218.910414
where:
bonds (distance) C4'-P energy: -44.010
bonds (distance) P-C4' energy: -44.344
flat angles C4'-P-C4' energy: -45.896
flat angles P-C4'-P energy: -31.108
tors. eta vs tors. theta energy: -53.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -623.080063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.080063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.080063 (E_RNA)
where:
Base-Base interactions energy: -406.941
where: short stacking energy: -179.011
Base-Backbone interact. energy: -1.195
local terms energy: -214.943884
where:
bonds (distance) C4'-P energy: -44.954
bonds (distance) P-C4' energy: -44.542
flat angles C4'-P-C4' energy: -41.744
flat angles P-C4'-P energy: -24.024
tors. eta vs tors. theta energy: -59.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -613.910477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.910477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.910477 (E_RNA)
where:
Base-Base interactions energy: -401.513
where: short stacking energy: -191.322
Base-Backbone interact. energy: 0.472
local terms energy: -212.868679
where:
bonds (distance) C4'-P energy: -33.838
bonds (distance) P-C4' energy: -43.676
flat angles C4'-P-C4' energy: -43.216
flat angles P-C4'-P energy: -36.001
tors. eta vs tors. theta energy: -56.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -572.505909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.505909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.505909 (E_RNA)
where:
Base-Base interactions energy: -362.543
where: short stacking energy: -195.042
Base-Backbone interact. energy: 0.857
local terms energy: -210.819551
where:
bonds (distance) C4'-P energy: -34.014
bonds (distance) P-C4' energy: -36.781
flat angles C4'-P-C4' energy: -45.909
flat angles P-C4'-P energy: -29.402
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: 5, replica: 3
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -496.035349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.035349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.035349 (E_RNA)
where:
Base-Base interactions energy: -333.477
where: short stacking energy: -132.195
Base-Backbone interact. energy: -0.840
local terms energy: -161.717598
where:
bonds (distance) C4'-P energy: -31.769
bonds (distance) P-C4' energy: -32.513
flat angles C4'-P-C4' energy: -38.600
flat angles P-C4'-P energy: -21.158
tors. eta vs tors. theta energy: -37.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -389.203363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.203363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.203363 (E_RNA)
where:
Base-Base interactions energy: -233.132
where: short stacking energy: -113.608
Base-Backbone interact. energy: 0.722
local terms energy: -156.793663
where:
bonds (distance) C4'-P energy: -41.345
bonds (distance) P-C4' energy: -36.007
flat angles C4'-P-C4' energy: -36.154
flat angles P-C4'-P energy: -21.430
tors. eta vs tors. theta energy: -21.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -278.256635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.256635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.256635 (E_RNA)
where:
Base-Base interactions energy: -122.165
where: short stacking energy: -80.067
Base-Backbone interact. energy: -0.039
local terms energy: -156.052570
where:
bonds (distance) C4'-P energy: -40.277
bonds (distance) P-C4' energy: -41.460
flat angles C4'-P-C4' energy: -35.900
flat angles P-C4'-P energy: -23.445
tors. eta vs tors. theta energy: -14.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -206.507748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.507748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.507748 (E_RNA)
where:
Base-Base interactions energy: -71.928
where: short stacking energy: -65.916
Base-Backbone interact. energy: -1.721
local terms energy: -132.859003
where:
bonds (distance) C4'-P energy: -30.767
bonds (distance) P-C4' energy: -44.449
flat angles C4'-P-C4' energy: -21.527
flat angles P-C4'-P energy: -25.610
tors. eta vs tors. theta energy: -10.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -181.112108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.112108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.112108 (E_RNA)
where:
Base-Base interactions energy: -63.936
where: short stacking energy: -42.136
Base-Backbone interact. energy: 1.071
local terms energy: -118.247187
where:
bonds (distance) C4'-P energy: -31.633
bonds (distance) P-C4' energy: -26.453
flat angles C4'-P-C4' energy: -33.556
flat angles P-C4'-P energy: -23.596
tors. eta vs tors. theta energy: -3.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -166.115298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.115298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.115298 (E_RNA)
where:
Base-Base interactions energy: -56.822
where: short stacking energy: -53.541
Base-Backbone interact. energy: -0.542
local terms energy: -108.751068
where:
bonds (distance) C4'-P energy: -28.085
bonds (distance) P-C4' energy: -33.755
flat angles C4'-P-C4' energy: -28.129
flat angles P-C4'-P energy: -15.439
tors. eta vs tors. theta energy: -3.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -658.085936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.085936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.085936 (E_RNA)
where:
Base-Base interactions energy: -444.388
where: short stacking energy: -196.140
Base-Backbone interact. energy: -0.676
local terms energy: -213.021591
where:
bonds (distance) C4'-P energy: -38.823
bonds (distance) P-C4' energy: -39.794
flat angles C4'-P-C4' energy: -44.476
flat angles P-C4'-P energy: -33.180
tors. eta vs tors. theta energy: -56.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -629.153529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.153529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.153529 (E_RNA)
where:
Base-Base interactions energy: -411.967
where: short stacking energy: -195.598
Base-Backbone interact. energy: -0.166
local terms energy: -217.020491
where:
bonds (distance) C4'-P energy: -34.870
bonds (distance) P-C4' energy: -41.803
flat angles C4'-P-C4' energy: -44.159
flat angles P-C4'-P energy: -31.188
tors. eta vs tors. theta energy: -65.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -621.643844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.643844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.643844 (E_RNA)
where:
Base-Base interactions energy: -421.329
where: short stacking energy: -191.218
Base-Backbone interact. energy: -1.476
local terms energy: -198.839642
where:
bonds (distance) C4'-P energy: -38.604
bonds (distance) P-C4' energy: -39.739
flat angles C4'-P-C4' energy: -40.552
flat angles P-C4'-P energy: -23.233
tors. eta vs tors. theta energy: -56.713
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: 3
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -504.720797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.720797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.720797 (E_RNA)
where:
Base-Base interactions energy: -322.406
where: short stacking energy: -122.646
Base-Backbone interact. energy: -1.199
local terms energy: -181.116442
where:
bonds (distance) C4'-P energy: -33.477
bonds (distance) P-C4' energy: -47.199
flat angles C4'-P-C4' energy: -41.322
flat angles P-C4'-P energy: -27.194
tors. eta vs tors. theta energy: -31.925
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: 4
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -541.678060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.678060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.678060 (E_RNA)
where:
Base-Base interactions energy: -338.203
where: short stacking energy: -172.066
Base-Backbone interact. energy: -0.144
local terms energy: -203.330555
where:
bonds (distance) C4'-P energy: -32.564
bonds (distance) P-C4' energy: -37.390
flat angles C4'-P-C4' energy: -45.375
flat angles P-C4'-P energy: -29.832
tors. eta vs tors. theta energy: -58.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -390.531655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.531655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.531655 (E_RNA)
where:
Base-Base interactions energy: -235.770
where: short stacking energy: -104.619
Base-Backbone interact. energy: -1.189
local terms energy: -153.572990
where:
bonds (distance) C4'-P energy: -37.703
bonds (distance) P-C4' energy: -30.467
flat angles C4'-P-C4' energy: -41.074
flat angles P-C4'-P energy: -18.116
tors. eta vs tors. theta energy: -26.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -255.591296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.591296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.591296 (E_RNA)
where:
Base-Base interactions energy: -118.111
where: short stacking energy: -61.968
Base-Backbone interact. energy: -0.465
local terms energy: -137.014934
where:
bonds (distance) C4'-P energy: -41.836
bonds (distance) P-C4' energy: -40.821
flat angles C4'-P-C4' energy: -37.847
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: -2.899
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: 10
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -185.896874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.896874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.896874 (E_RNA)
where:
Base-Base interactions energy: -77.935
where: short stacking energy: -65.595
Base-Backbone interact. energy: -1.266
local terms energy: -106.695525
where:
bonds (distance) C4'-P energy: -29.099
bonds (distance) P-C4' energy: -29.256
flat angles C4'-P-C4' energy: -34.702
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -6.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -185.641788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.641788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.641788 (E_RNA)
where:
Base-Base interactions energy: -64.596
where: short stacking energy: -52.755
Base-Backbone interact. energy: 0.427
local terms energy: -121.473440
where:
bonds (distance) C4'-P energy: -35.062
bonds (distance) P-C4' energy: -31.390
flat angles C4'-P-C4' energy: -30.787
flat angles P-C4'-P energy: -22.138
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: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -186.337587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.337587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.337587 (E_RNA)
where:
Base-Base interactions energy: -67.705
where: short stacking energy: -67.705
Base-Backbone interact. energy: -1.646
local terms energy: -116.987231
where:
bonds (distance) C4'-P energy: -31.987
bonds (distance) P-C4' energy: -27.558
flat angles C4'-P-C4' energy: -25.207
flat angles P-C4'-P energy: -21.339
tors. eta vs tors. theta energy: -10.896
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: 7
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -637.966590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.966590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.966590 (E_RNA)
where:
Base-Base interactions energy: -408.865
where: short stacking energy: -190.877
Base-Backbone interact. energy: -0.586
local terms energy: -228.515888
where:
bonds (distance) C4'-P energy: -43.147
bonds (distance) P-C4' energy: -43.197
flat angles C4'-P-C4' energy: -45.974
flat angles P-C4'-P energy: -34.190
tors. eta vs tors. theta energy: -62.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -640.129004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.129004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.129004 (E_RNA)
where:
Base-Base interactions energy: -423.445
where: short stacking energy: -181.639
Base-Backbone interact. energy: -1.258
local terms energy: -215.426200
where:
bonds (distance) C4'-P energy: -44.441
bonds (distance) P-C4' energy: -39.976
flat angles C4'-P-C4' energy: -43.600
flat angles P-C4'-P energy: -33.258
tors. eta vs tors. theta energy: -54.151
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: 3, replica: 1
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -605.329345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.329345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.329345 (E_RNA)
where:
Base-Base interactions energy: -401.759
where: short stacking energy: -189.330
Base-Backbone interact. energy: -0.860
local terms energy: -202.709941
where:
bonds (distance) C4'-P energy: -35.991
bonds (distance) P-C4' energy: -41.148
flat angles C4'-P-C4' energy: -41.257
flat angles P-C4'-P energy: -30.156
tors. eta vs tors. theta energy: -54.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -556.432043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.432043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.432043 (E_RNA)
where:
Base-Base interactions energy: -365.307
where: short stacking energy: -158.441
Base-Backbone interact. energy: -0.696
local terms energy: -190.429037
where:
bonds (distance) C4'-P energy: -33.505
bonds (distance) P-C4' energy: -41.410
flat angles C4'-P-C4' energy: -48.085
flat angles P-C4'-P energy: -20.130
tors. eta vs tors. theta energy: -47.298
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: 150
Temperature: 1.100000
Total energy: -533.378992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.378992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.378992 (E_RNA)
where:
Base-Base interactions energy: -328.133
where: short stacking energy: -167.259
Base-Backbone interact. energy: 1.196
local terms energy: -206.441984
where:
bonds (distance) C4'-P energy: -41.469
bonds (distance) P-C4' energy: -45.878
flat angles C4'-P-C4' energy: -42.717
flat angles P-C4'-P energy: -25.835
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: 6, replica: 2
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -441.364939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.364939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.364939 (E_RNA)
where:
Base-Base interactions energy: -266.686
where: short stacking energy: -130.953
Base-Backbone interact. energy: -0.647
local terms energy: -174.031632
where:
bonds (distance) C4'-P energy: -32.350
bonds (distance) P-C4' energy: -41.784
flat angles C4'-P-C4' energy: -41.287
flat angles P-C4'-P energy: -23.053
tors. eta vs tors. theta energy: -35.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -279.753777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.753777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.753777 (E_RNA)
where:
Base-Base interactions energy: -145.982
where: short stacking energy: -75.241
Base-Backbone interact. energy: -0.707
local terms energy: -133.064749
where:
bonds (distance) C4'-P energy: -33.060
bonds (distance) P-C4' energy: -39.966
flat angles C4'-P-C4' energy: -36.369
flat angles P-C4'-P energy: -20.127
tors. eta vs tors. theta energy: -3.542
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: 150
Temperature: 1.250000
Total energy: -191.196897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.196897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.196897 (E_RNA)
where:
Base-Base interactions energy: -77.837
where: short stacking energy: -66.114
Base-Backbone interact. energy: -1.322
local terms energy: -112.037934
where:
bonds (distance) C4'-P energy: -23.199
bonds (distance) P-C4' energy: -30.475
flat angles C4'-P-C4' energy: -32.774
flat angles P-C4'-P energy: -25.339
tors. eta vs tors. theta energy: -0.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -183.104927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.104927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.104927 (E_RNA)
where:
Base-Base interactions energy: -70.718
where: short stacking energy: -68.435
Base-Backbone interact. energy: -0.683
local terms energy: -111.704246
where:
bonds (distance) C4'-P energy: -32.295
bonds (distance) P-C4' energy: -33.660
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -20.714
tors. eta vs tors. theta energy: -7.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -178.022482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.022482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.022482 (E_RNA)
where:
Base-Base interactions energy: -74.477
where: short stacking energy: -73.317
Base-Backbone interact. energy: 1.005
local terms energy: -104.549664
where:
bonds (distance) C4'-P energy: -25.527
bonds (distance) P-C4' energy: -30.684
flat angles C4'-P-C4' energy: -32.799
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -7.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -643.711649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.711649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.711649 (E_RNA)
where:
Base-Base interactions energy: -421.429
where: short stacking energy: -199.764
Base-Backbone interact. energy: -0.710
local terms energy: -221.573109
where:
bonds (distance) C4'-P energy: -42.761
bonds (distance) P-C4' energy: -42.305
flat angles C4'-P-C4' energy: -43.653
flat angles P-C4'-P energy: -32.411
tors. eta vs tors. theta energy: -60.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -624.508193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.508193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.508193 (E_RNA)
where:
Base-Base interactions energy: -432.420
where: short stacking energy: -192.905
Base-Backbone interact. energy: 0.147
local terms energy: -192.235367
where:
bonds (distance) C4'-P energy: -36.037
bonds (distance) P-C4' energy: -40.041
flat angles C4'-P-C4' energy: -41.371
flat angles P-C4'-P energy: -28.963
tors. eta vs tors. theta energy: -45.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -633.756501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.756501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.756501 (E_RNA)
where:
Base-Base interactions energy: -425.483
where: short stacking energy: -180.806
Base-Backbone interact. energy: -0.267
local terms energy: -208.006563
where:
bonds (distance) C4'-P energy: -41.693
bonds (distance) P-C4' energy: -37.399
flat angles C4'-P-C4' energy: -39.617
flat angles P-C4'-P energy: -33.829
tors. eta vs tors. theta energy: -55.469
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: 3
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -555.671349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.671349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.671349 (E_RNA)
where:
Base-Base interactions energy: -362.921
where: short stacking energy: -149.751
Base-Backbone interact. energy: 0.290
local terms energy: -193.040006
where:
bonds (distance) C4'-P energy: -39.624
bonds (distance) P-C4' energy: -31.189
flat angles C4'-P-C4' energy: -45.442
flat angles P-C4'-P energy: -32.614
tors. eta vs tors. theta energy: -44.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -524.756239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.756239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.756239 (E_RNA)
where:
Base-Base interactions energy: -329.221
where: short stacking energy: -155.102
Base-Backbone interact. energy: -0.304
local terms energy: -195.231504
where:
bonds (distance) C4'-P energy: -39.747
bonds (distance) P-C4' energy: -37.713
flat angles C4'-P-C4' energy: -38.972
flat angles P-C4'-P energy: -30.876
tors. eta vs tors. theta energy: -47.923
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: 151
Temperature: 1.150000
Total energy: -448.227556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.227556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.227556 (E_RNA)
where:
Base-Base interactions energy: -270.279
where: short stacking energy: -127.001
Base-Backbone interact. energy: 0.553
local terms energy: -178.501799
where:
bonds (distance) C4'-P energy: -35.638
bonds (distance) P-C4' energy: -43.273
flat angles C4'-P-C4' energy: -40.152
flat angles P-C4'-P energy: -23.908
tors. eta vs tors. theta energy: -35.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -262.934994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.934994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.934994 (E_RNA)
where:
Base-Base interactions energy: -145.821
where: short stacking energy: -76.094
Base-Backbone interact. energy: -2.116
local terms energy: -114.998223
where:
bonds (distance) C4'-P energy: -27.163
bonds (distance) P-C4' energy: -37.796
flat angles C4'-P-C4' energy: -39.930
flat angles P-C4'-P energy: -16.980
tors. eta vs tors. theta energy: 6.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -215.038784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.038784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.038784 (E_RNA)
where:
Base-Base interactions energy: -90.381
where: short stacking energy: -69.912
Base-Backbone interact. energy: -0.124
local terms energy: -124.533854
where:
bonds (distance) C4'-P energy: -26.653
bonds (distance) P-C4' energy: -33.873
flat angles C4'-P-C4' energy: -34.448
flat angles P-C4'-P energy: -21.506
tors. eta vs tors. theta energy: -8.054
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: 151
Temperature: 1.300000
Total energy: -173.898003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.898003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.898003 (E_RNA)
where:
Base-Base interactions energy: -60.959
where: short stacking energy: -44.526
Base-Backbone interact. energy: -0.657
local terms energy: -112.282060
where:
bonds (distance) C4'-P energy: -39.160
bonds (distance) P-C4' energy: -21.376
flat angles C4'-P-C4' energy: -30.237
flat angles P-C4'-P energy: -22.494
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: 9
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -168.039046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.039046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.039046 (E_RNA)
where:
Base-Base interactions energy: -57.972
where: short stacking energy: -51.327
Base-Backbone interact. energy: -0.245
local terms energy: -109.822616
where:
bonds (distance) C4'-P energy: -31.408
bonds (distance) P-C4' energy: -39.429
flat angles C4'-P-C4' energy: -25.055
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -1.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -644.364711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.364711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.364711 (E_RNA)
where:
Base-Base interactions energy: -415.351
where: short stacking energy: -199.212
Base-Backbone interact. energy: 0.284
local terms energy: -229.297831
where:
bonds (distance) C4'-P energy: -41.290
bonds (distance) P-C4' energy: -42.424
flat angles C4'-P-C4' energy: -47.517
flat angles P-C4'-P energy: -31.159
tors. eta vs tors. theta energy: -66.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -640.339770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.339770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.339770 (E_RNA)
where:
Base-Base interactions energy: -425.958
where: short stacking energy: -188.961
Base-Backbone interact. energy: -0.994
local terms energy: -213.387690
where:
bonds (distance) C4'-P energy: -43.178
bonds (distance) P-C4' energy: -43.817
flat angles C4'-P-C4' energy: -41.184
flat angles P-C4'-P energy: -32.876
tors. eta vs tors. theta energy: -52.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -630.329402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.329402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.329402 (E_RNA)
where:
Base-Base interactions energy: -417.898
where: short stacking energy: -185.133
Base-Backbone interact. energy: -0.974
local terms energy: -211.458234
where:
bonds (distance) C4'-P energy: -41.478
bonds (distance) P-C4' energy: -42.144
flat angles C4'-P-C4' energy: -47.213
flat angles P-C4'-P energy: -23.682
tors. eta vs tors. theta energy: -56.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -551.419880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.419880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.419880 (E_RNA)
where:
Base-Base interactions energy: -365.747
where: short stacking energy: -166.091
Base-Backbone interact. energy: 0.923
local terms energy: -186.595771
where:
bonds (distance) C4'-P energy: -31.539
bonds (distance) P-C4' energy: -35.443
flat angles C4'-P-C4' energy: -44.140
flat angles P-C4'-P energy: -29.341
tors. eta vs tors. theta energy: -46.132
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: 5, replica: 4
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -525.918455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.918455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.918455 (E_RNA)
where:
Base-Base interactions energy: -353.643
where: short stacking energy: -161.547
Base-Backbone interact. energy: -0.869
local terms energy: -171.406247
where:
bonds (distance) C4'-P energy: -39.072
bonds (distance) P-C4' energy: -25.007
flat angles C4'-P-C4' energy: -34.427
flat angles P-C4'-P energy: -21.623
tors. eta vs tors. theta energy: -51.277
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: 2
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -460.214533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.214533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.214533 (E_RNA)
where:
Base-Base interactions energy: -281.374
where: short stacking energy: -117.487
Base-Backbone interact. energy: -0.722
local terms energy: -178.118247
where:
bonds (distance) C4'-P energy: -41.810
bonds (distance) P-C4' energy: -38.443
flat angles C4'-P-C4' energy: -42.463
flat angles P-C4'-P energy: -18.801
tors. eta vs tors. theta energy: -36.601
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: 8
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -288.987430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.987430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.987430 (E_RNA)
where:
Base-Base interactions energy: -151.423
where: short stacking energy: -83.143
Base-Backbone interact. energy: -0.927
local terms energy: -136.637904
where:
bonds (distance) C4'-P energy: -39.771
bonds (distance) P-C4' energy: -35.104
flat angles C4'-P-C4' energy: -28.241
flat angles P-C4'-P energy: -21.698
tors. eta vs tors. theta energy: -11.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -204.358967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.358967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.358967 (E_RNA)
where:
Base-Base interactions energy: -83.727
where: short stacking energy: -45.783
Base-Backbone interact. energy: -1.001
local terms energy: -119.631356
where:
bonds (distance) C4'-P energy: -28.171
bonds (distance) P-C4' energy: -41.915
flat angles C4'-P-C4' energy: -29.819
flat angles P-C4'-P energy: -24.032
tors. eta vs tors. theta energy: 4.306
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: 9, replica: 9
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -170.076545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.076545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.076545 (E_RNA)
where:
Base-Base interactions energy: -54.290
where: short stacking energy: -49.291
Base-Backbone interact. energy: 2.117
local terms energy: -117.904055
where:
bonds (distance) C4'-P energy: -29.663
bonds (distance) P-C4' energy: -36.383
flat angles C4'-P-C4' energy: -34.664
flat angles P-C4'-P energy: -17.471
tors. eta vs tors. theta energy: 0.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -173.364994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.364994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.364994 (E_RNA)
where:
Base-Base interactions energy: -55.767
where: short stacking energy: -46.383
Base-Backbone interact. energy: 2.898
local terms energy: -120.496771
where:
bonds (distance) C4'-P energy: -38.512
bonds (distance) P-C4' energy: -30.874
flat angles C4'-P-C4' energy: -29.761
flat angles P-C4'-P energy: -14.676
tors. eta vs tors. theta energy: -6.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -633.797394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.797394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.797394 (E_RNA)
where:
Base-Base interactions energy: -416.601
where: short stacking energy: -186.984
Base-Backbone interact. energy: -0.652
local terms energy: -216.544345
where:
bonds (distance) C4'-P energy: -41.278
bonds (distance) P-C4' energy: -43.170
flat angles C4'-P-C4' energy: -44.867
flat angles P-C4'-P energy: -28.529
tors. eta vs tors. theta energy: -58.701
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: 153
Temperature: 0.950000
Total energy: -626.879243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.879243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.879243 (E_RNA)
where:
Base-Base interactions energy: -431.304
where: short stacking energy: -175.207
Base-Backbone interact. energy: -0.439
local terms energy: -195.135944
where:
bonds (distance) C4'-P energy: -38.716
bonds (distance) P-C4' energy: -41.599
flat angles C4'-P-C4' energy: -39.662
flat angles P-C4'-P energy: -24.522
tors. eta vs tors. theta energy: -50.637
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: 3, replica: 5
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -623.976070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.976070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.976070 (E_RNA)
where:
Base-Base interactions energy: -434.696
where: short stacking energy: -171.213
Base-Backbone interact. energy: 0.685
local terms energy: -189.964345
where:
bonds (distance) C4'-P energy: -33.497
bonds (distance) P-C4' energy: -38.910
flat angles C4'-P-C4' energy: -40.453
flat angles P-C4'-P energy: -23.391
tors. eta vs tors. theta energy: -53.712
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: 4
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -568.922821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.922821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.922821 (E_RNA)
where:
Base-Base interactions energy: -370.899
where: short stacking energy: -171.373
Base-Backbone interact. energy: -0.565
local terms energy: -197.459666
where:
bonds (distance) C4'-P energy: -38.240
bonds (distance) P-C4' energy: -38.402
flat angles C4'-P-C4' energy: -47.770
flat angles P-C4'-P energy: -22.102
tors. eta vs tors. theta energy: -50.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -523.174569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.174569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.174569 (E_RNA)
where:
Base-Base interactions energy: -345.752
where: short stacking energy: -150.451
Base-Backbone interact. energy: 1.178
local terms energy: -178.600618
where:
bonds (distance) C4'-P energy: -32.063
bonds (distance) P-C4' energy: -37.965
flat angles C4'-P-C4' energy: -41.018
flat angles P-C4'-P energy: -24.798
tors. eta vs tors. theta energy: -42.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -449.972936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.972936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.972936 (E_RNA)
where:
Base-Base interactions energy: -277.119
where: short stacking energy: -138.481
Base-Backbone interact. energy: 0.386
local terms energy: -173.240429
where:
bonds (distance) C4'-P energy: -31.720
bonds (distance) P-C4' energy: -41.532
flat angles C4'-P-C4' energy: -42.206
flat angles P-C4'-P energy: -24.348
tors. eta vs tors. theta energy: -33.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -298.262601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.262601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.262601 (E_RNA)
where:
Base-Base interactions energy: -171.972
where: short stacking energy: -85.081
Base-Backbone interact. energy: 1.909
local terms energy: -128.199755
where:
bonds (distance) C4'-P energy: -36.878
bonds (distance) P-C4' energy: -30.908
flat angles C4'-P-C4' energy: -34.664
flat angles P-C4'-P energy: -23.170
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: 8, replica: 9
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -200.175764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.175764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.175764 (E_RNA)
where:
Base-Base interactions energy: -73.551
where: short stacking energy: -49.499
Base-Backbone interact. energy: -2.068
local terms energy: -124.556330
where:
bonds (distance) C4'-P energy: -32.429
bonds (distance) P-C4' energy: -32.462
flat angles C4'-P-C4' energy: -33.278
flat angles P-C4'-P energy: -23.162
tors. eta vs tors. theta energy: -3.225
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: 153
Temperature: 1.300000
Total energy: -206.311501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.311501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.311501 (E_RNA)
where:
Base-Base interactions energy: -77.318
where: short stacking energy: -63.440
Base-Backbone interact. energy: -0.502
local terms energy: -128.491206
where:
bonds (distance) C4'-P energy: -37.114
bonds (distance) P-C4' energy: -37.032
flat angles C4'-P-C4' energy: -31.825
flat angles P-C4'-P energy: -14.876
tors. eta vs tors. theta energy: -7.644
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: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -184.954747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.954747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.954747 (E_RNA)
where:
Base-Base interactions energy: -69.151
where: short stacking energy: -59.800
Base-Backbone interact. energy: -1.222
local terms energy: -114.582067
where:
bonds (distance) C4'-P energy: -30.032
bonds (distance) P-C4' energy: -26.596
flat angles C4'-P-C4' energy: -35.687
flat angles P-C4'-P energy: -20.865
tors. eta vs tors. theta energy: -1.402
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: 1, replica: 1
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -651.538351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.538351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.538351 (E_RNA)
where:
Base-Base interactions energy: -447.883
where: short stacking energy: -187.708
Base-Backbone interact. energy: -1.472
local terms energy: -202.183484
where:
bonds (distance) C4'-P energy: -37.083
bonds (distance) P-C4' energy: -38.603
flat angles C4'-P-C4' energy: -46.600
flat angles P-C4'-P energy: -27.938
tors. eta vs tors. theta energy: -51.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -590.883855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.883855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.883855 (E_RNA)
where:
Base-Base interactions energy: -379.333
where: short stacking energy: -174.017
Base-Backbone interact. energy: -0.762
local terms energy: -210.788584
where:
bonds (distance) C4'-P energy: -39.690
bonds (distance) P-C4' energy: -40.429
flat angles C4'-P-C4' energy: -42.464
flat angles P-C4'-P energy: -30.418
tors. eta vs tors. theta energy: -57.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -598.951022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.951022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.951022 (E_RNA)
where:
Base-Base interactions energy: -399.791
where: short stacking energy: -164.135
Base-Backbone interact. energy: -1.180
local terms energy: -197.979605
where:
bonds (distance) C4'-P energy: -34.971
bonds (distance) P-C4' energy: -43.052
flat angles C4'-P-C4' energy: -44.998
flat angles P-C4'-P energy: -25.109
tors. eta vs tors. theta energy: -49.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -554.971399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.971399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.971399 (E_RNA)
where:
Base-Base interactions energy: -360.502
where: short stacking energy: -188.233
Base-Backbone interact. energy: -0.319
local terms energy: -194.150228
where:
bonds (distance) C4'-P energy: -28.200
bonds (distance) P-C4' energy: -31.718
flat angles C4'-P-C4' energy: -46.039
flat angles P-C4'-P energy: -27.532
tors. eta vs tors. theta energy: -60.661
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: 3
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -545.923892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.923892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.923892 (E_RNA)
where:
Base-Base interactions energy: -351.595
where: short stacking energy: -155.963
Base-Backbone interact. energy: -0.561
local terms energy: -193.768019
where:
bonds (distance) C4'-P energy: -39.688
bonds (distance) P-C4' energy: -40.587
flat angles C4'-P-C4' energy: -40.360
flat angles P-C4'-P energy: -27.696
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: 6, replica: 2
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -438.504375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.504375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.504375 (E_RNA)
where:
Base-Base interactions energy: -291.209
where: short stacking energy: -126.687
Base-Backbone interact. energy: 2.867
local terms energy: -150.162399
where:
bonds (distance) C4'-P energy: -25.832
bonds (distance) P-C4' energy: -34.906
flat angles C4'-P-C4' energy: -36.868
flat angles P-C4'-P energy: -20.100
tors. eta vs tors. theta energy: -32.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -287.455313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.455313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.455313 (E_RNA)
where:
Base-Base interactions energy: -161.509
where: short stacking energy: -72.891
Base-Backbone interact. energy: 0.531
local terms energy: -126.476741
where:
bonds (distance) C4'-P energy: -40.960
bonds (distance) P-C4' energy: -27.652
flat angles C4'-P-C4' energy: -35.867
flat angles P-C4'-P energy: -16.302
tors. eta vs tors. theta energy: -5.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -196.238025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.238025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.238025 (E_RNA)
where:
Base-Base interactions energy: -74.853
where: short stacking energy: -51.018
Base-Backbone interact. energy: 1.341
local terms energy: -122.725654
where:
bonds (distance) C4'-P energy: -28.618
bonds (distance) P-C4' energy: -40.282
flat angles C4'-P-C4' energy: -29.863
flat angles P-C4'-P energy: -24.343
tors. eta vs tors. theta energy: 0.381
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: 6
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -200.729108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.729108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.729108 (E_RNA)
where:
Base-Base interactions energy: -68.400
where: short stacking energy: -57.934
Base-Backbone interact. energy: -0.411
local terms energy: -131.917724
where:
bonds (distance) C4'-P energy: -32.806
bonds (distance) P-C4' energy: -36.273
flat angles C4'-P-C4' energy: -29.853
flat angles P-C4'-P energy: -20.133
tors. eta vs tors. theta energy: -12.853
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: 10
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -166.240547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.240547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.240547 (E_RNA)
where:
Base-Base interactions energy: -48.343
where: short stacking energy: -43.580
Base-Backbone interact. energy: 0.214
local terms energy: -118.111114
where:
bonds (distance) C4'-P energy: -32.798
bonds (distance) P-C4' energy: -36.237
flat angles C4'-P-C4' energy: -34.095
flat angles P-C4'-P energy: -15.815
tors. eta vs tors. theta energy: 0.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -648.199527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.199527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.199527 (E_RNA)
where:
Base-Base interactions energy: -452.646
where: short stacking energy: -190.552
Base-Backbone interact. energy: 4.066
local terms energy: -199.619519
where:
bonds (distance) C4'-P energy: -36.354
bonds (distance) P-C4' energy: -33.541
flat angles C4'-P-C4' energy: -47.016
flat angles P-C4'-P energy: -30.800
tors. eta vs tors. theta energy: -51.909
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: 2, replica: 7
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -622.834100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.834100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.834100 (E_RNA)
where:
Base-Base interactions energy: -405.529
where: short stacking energy: -197.489
Base-Backbone interact. energy: -0.068
local terms energy: -217.237799
where:
bonds (distance) C4'-P energy: -38.412
bonds (distance) P-C4' energy: -40.856
flat angles C4'-P-C4' energy: -45.449
flat angles P-C4'-P energy: -27.491
tors. eta vs tors. theta energy: -65.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -619.269730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.269730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.269730 (E_RNA)
where:
Base-Base interactions energy: -406.780
where: short stacking energy: -180.365
Base-Backbone interact. energy: 1.163
local terms energy: -213.651952
where:
bonds (distance) C4'-P energy: -37.772
bonds (distance) P-C4' energy: -40.550
flat angles C4'-P-C4' energy: -48.525
flat angles P-C4'-P energy: -29.113
tors. eta vs tors. theta energy: -57.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -562.922788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.922788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.922788 (E_RNA)
where:
Base-Base interactions energy: -353.920
where: short stacking energy: -182.562
Base-Backbone interact. energy: -0.248
local terms energy: -208.755011
where:
bonds (distance) C4'-P energy: -42.338
bonds (distance) P-C4' energy: -40.057
flat angles C4'-P-C4' energy: -39.958
flat angles P-C4'-P energy: -26.677
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: 5, replica: 3
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -530.724256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.724256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.724256 (E_RNA)
where:
Base-Base interactions energy: -346.713
where: short stacking energy: -148.835
Base-Backbone interact. energy: -1.549
local terms energy: -182.462667
where:
bonds (distance) C4'-P energy: -32.138
bonds (distance) P-C4' energy: -40.719
flat angles C4'-P-C4' energy: -35.843
flat angles P-C4'-P energy: -27.100
tors. eta vs tors. theta energy: -46.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -451.832855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.832855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.832855 (E_RNA)
where:
Base-Base interactions energy: -287.325
where: short stacking energy: -134.341
Base-Backbone interact. energy: -0.311
local terms energy: -164.196745
where:
bonds (distance) C4'-P energy: -30.499
bonds (distance) P-C4' energy: -40.601
flat angles C4'-P-C4' energy: -34.933
flat angles P-C4'-P energy: -24.959
tors. eta vs tors. theta energy: -33.204
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: 8
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -263.998320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.998320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.998320 (E_RNA)
where:
Base-Base interactions energy: -125.705
where: short stacking energy: -69.379
Base-Backbone interact. energy: -1.860
local terms energy: -136.434208
where:
bonds (distance) C4'-P energy: -30.294
bonds (distance) P-C4' energy: -41.380
flat angles C4'-P-C4' energy: -34.384
flat angles P-C4'-P energy: -18.062
tors. eta vs tors. theta energy: -12.314
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: 6
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -202.618602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.618602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.618602 (E_RNA)
where:
Base-Base interactions energy: -64.936
where: short stacking energy: -62.455
Base-Backbone interact. energy: -1.136
local terms energy: -136.546739
where:
bonds (distance) C4'-P energy: -33.414
bonds (distance) P-C4' energy: -33.240
flat angles C4'-P-C4' energy: -40.443
flat angles P-C4'-P energy: -22.886
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: 9, replica: 9
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -197.881119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.881119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.881119 (E_RNA)
where:
Base-Base interactions energy: -77.007
where: short stacking energy: -47.762
Base-Backbone interact. energy: 0.136
local terms energy: -121.009646
where:
bonds (distance) C4'-P energy: -29.311
bonds (distance) P-C4' energy: -35.527
flat angles C4'-P-C4' energy: -35.359
flat angles P-C4'-P energy: -13.404
tors. eta vs tors. theta energy: -7.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -170.259577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.259577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.259577 (E_RNA)
where:
Base-Base interactions energy: -48.480
where: short stacking energy: -32.359
Base-Backbone interact. energy: -0.749
local terms energy: -121.030555
where:
bonds (distance) C4'-P energy: -26.181
bonds (distance) P-C4' energy: -36.728
flat angles C4'-P-C4' energy: -30.531
flat angles P-C4'-P energy: -22.636
tors. eta vs tors. theta energy: -4.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -640.549928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.549928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.549928 (E_RNA)
where:
Base-Base interactions energy: -431.350
where: short stacking energy: -205.429
Base-Backbone interact. energy: -0.176
local terms energy: -209.024290
where:
bonds (distance) C4'-P energy: -35.679
bonds (distance) P-C4' energy: -37.240
flat angles C4'-P-C4' energy: -40.474
flat angles P-C4'-P energy: -32.646
tors. eta vs tors. theta energy: -62.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -637.777154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.777154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.777154 (E_RNA)
where:
Base-Base interactions energy: -440.814
where: short stacking energy: -194.415
Base-Backbone interact. energy: -0.085
local terms energy: -196.877534
where:
bonds (distance) C4'-P energy: -29.862
bonds (distance) P-C4' energy: -40.908
flat angles C4'-P-C4' energy: -41.999
flat angles P-C4'-P energy: -32.245
tors. eta vs tors. theta energy: -51.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -615.867848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.867848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.867848 (E_RNA)
where:
Base-Base interactions energy: -421.070
where: short stacking energy: -180.229
Base-Backbone interact. energy: -0.358
local terms energy: -194.439799
where:
bonds (distance) C4'-P energy: -36.523
bonds (distance) P-C4' energy: -39.653
flat angles C4'-P-C4' energy: -37.317
flat angles P-C4'-P energy: -28.405
tors. eta vs tors. theta energy: -52.543
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: 4
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -547.090018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.090018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.090018 (E_RNA)
where:
Base-Base interactions energy: -342.001
where: short stacking energy: -175.998
Base-Backbone interact. energy: -0.222
local terms energy: -204.866475
where:
bonds (distance) C4'-P energy: -41.665
bonds (distance) P-C4' energy: -39.656
flat angles C4'-P-C4' energy: -40.669
flat angles P-C4'-P energy: -27.344
tors. eta vs tors. theta energy: -55.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -509.902447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.902447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.902447 (E_RNA)
where:
Base-Base interactions energy: -331.911
where: short stacking energy: -150.646
Base-Backbone interact. energy: 1.885
local terms energy: -179.876146
where:
bonds (distance) C4'-P energy: -31.913
bonds (distance) P-C4' energy: -41.492
flat angles C4'-P-C4' energy: -42.450
flat angles P-C4'-P energy: -21.924
tors. eta vs tors. theta energy: -42.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -431.520152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.520152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.520152 (E_RNA)
where:
Base-Base interactions energy: -272.445
where: short stacking energy: -127.971
Base-Backbone interact. energy: 0.425
local terms energy: -159.500725
where:
bonds (distance) C4'-P energy: -37.771
bonds (distance) P-C4' energy: -29.681
flat angles C4'-P-C4' energy: -39.337
flat angles P-C4'-P energy: -25.293
tors. eta vs tors. theta energy: -27.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -274.005388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.005388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.005388 (E_RNA)
where:
Base-Base interactions energy: -143.567
where: short stacking energy: -87.483
Base-Backbone interact. energy: -0.715
local terms energy: -129.723350
where:
bonds (distance) C4'-P energy: -39.456
bonds (distance) P-C4' energy: -33.126
flat angles C4'-P-C4' energy: -27.516
flat angles P-C4'-P energy: -17.456
tors. eta vs tors. theta energy: -12.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -195.180249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.180249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.180249 (E_RNA)
where:
Base-Base interactions energy: -80.563
where: short stacking energy: -58.186
Base-Backbone interact. energy: -0.192
local terms energy: -114.425671
where:
bonds (distance) C4'-P energy: -30.429
bonds (distance) P-C4' energy: -38.269
flat angles C4'-P-C4' energy: -23.570
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -9.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -188.988739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.988739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.988739 (E_RNA)
where:
Base-Base interactions energy: -63.902
where: short stacking energy: -51.044
Base-Backbone interact. energy: 0.556
local terms energy: -125.642523
where:
bonds (distance) C4'-P energy: -37.710
bonds (distance) P-C4' energy: -35.373
flat angles C4'-P-C4' energy: -26.553
flat angles P-C4'-P energy: -24.242
tors. eta vs tors. theta energy: -1.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -178.145165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.145165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.145165 (E_RNA)
where:
Base-Base interactions energy: -53.657
where: short stacking energy: -40.700
Base-Backbone interact. energy: -0.923
local terms energy: -123.565190
where:
bonds (distance) C4'-P energy: -27.464
bonds (distance) P-C4' energy: -40.209
flat angles C4'-P-C4' energy: -33.924
flat angles P-C4'-P energy: -20.370
tors. eta vs tors. theta energy: -1.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -627.003591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.003591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.003591 (E_RNA)
where:
Base-Base interactions energy: -408.204
where: short stacking energy: -194.011
Base-Backbone interact. energy: -0.246
local terms energy: -218.553710
where:
bonds (distance) C4'-P energy: -41.939
bonds (distance) P-C4' energy: -40.757
flat angles C4'-P-C4' energy: -42.936
flat angles P-C4'-P energy: -33.002
tors. eta vs tors. theta energy: -59.920
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: 2, replica: 5
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -650.647247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.647247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.647247 (E_RNA)
where:
Base-Base interactions energy: -441.781
where: short stacking energy: -187.068
Base-Backbone interact. energy: -1.021
local terms energy: -207.844550
where:
bonds (distance) C4'-P energy: -39.735
bonds (distance) P-C4' energy: -39.703
flat angles C4'-P-C4' energy: -42.550
flat angles P-C4'-P energy: -32.260
tors. eta vs tors. theta energy: -53.597
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: 157
Temperature: 1.000000
Total energy: -593.790317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.790317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.790317 (E_RNA)
where:
Base-Base interactions energy: -403.302
where: short stacking energy: -167.043
Base-Backbone interact. energy: -1.288
local terms energy: -189.200065
where:
bonds (distance) C4'-P energy: -37.850
bonds (distance) P-C4' energy: -37.905
flat angles C4'-P-C4' energy: -40.675
flat angles P-C4'-P energy: -26.266
tors. eta vs tors. theta energy: -46.504
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: 4, replica: 4
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -563.003109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.003109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.003109 (E_RNA)
where:
Base-Base interactions energy: -351.032
where: short stacking energy: -173.989
Base-Backbone interact. energy: -0.262
local terms energy: -211.708813
where:
bonds (distance) C4'-P energy: -41.591
bonds (distance) P-C4' energy: -41.304
flat angles C4'-P-C4' energy: -42.040
flat angles P-C4'-P energy: -32.516
tors. eta vs tors. theta energy: -54.259
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: 3
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -506.437987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.437987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.437987 (E_RNA)
where:
Base-Base interactions energy: -320.351
where: short stacking energy: -136.876
Base-Backbone interact. energy: -0.377
local terms energy: -185.709814
where:
bonds (distance) C4'-P energy: -35.535
bonds (distance) P-C4' energy: -40.451
flat angles C4'-P-C4' energy: -44.032
flat angles P-C4'-P energy: -23.164
tors. eta vs tors. theta energy: -42.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -469.286785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.286785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.286785 (E_RNA)
where:
Base-Base interactions energy: -280.084
where: short stacking energy: -137.525
Base-Backbone interact. energy: -0.284
local terms energy: -188.919410
where:
bonds (distance) C4'-P energy: -38.860
bonds (distance) P-C4' energy: -41.540
flat angles C4'-P-C4' energy: -42.298
flat angles P-C4'-P energy: -28.172
tors. eta vs tors. theta energy: -38.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -259.882081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.882081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.882081 (E_RNA)
where:
Base-Base interactions energy: -107.309
where: short stacking energy: -66.222
Base-Backbone interact. energy: -0.722
local terms energy: -151.851016
where:
bonds (distance) C4'-P energy: -34.046
bonds (distance) P-C4' energy: -40.227
flat angles C4'-P-C4' energy: -40.821
flat angles P-C4'-P energy: -25.382
tors. eta vs tors. theta energy: -11.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -219.458095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.458095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.458095 (E_RNA)
where:
Base-Base interactions energy: -75.822
where: short stacking energy: -62.477
Base-Backbone interact. energy: -0.603
local terms energy: -143.032926
where:
bonds (distance) C4'-P energy: -36.180
bonds (distance) P-C4' energy: -41.353
flat angles C4'-P-C4' energy: -31.137
flat angles P-C4'-P energy: -25.873
tors. eta vs tors. theta energy: -8.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -225.357532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.357532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.357532 (E_RNA)
where:
Base-Base interactions energy: -93.543
where: short stacking energy: -63.788
Base-Backbone interact. energy: -0.680
local terms energy: -131.135159
where:
bonds (distance) C4'-P energy: -34.027
bonds (distance) P-C4' energy: -36.079
flat angles C4'-P-C4' energy: -32.139
flat angles P-C4'-P energy: -22.899
tors. eta vs tors. theta energy: -5.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -185.173452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.173452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.173452 (E_RNA)
where:
Base-Base interactions energy: -81.432
where: short stacking energy: -53.342
Base-Backbone interact. energy: -0.700
local terms energy: -103.041744
where:
bonds (distance) C4'-P energy: -23.564
bonds (distance) P-C4' energy: -35.710
flat angles C4'-P-C4' energy: -32.638
flat angles P-C4'-P energy: -15.485
tors. eta vs tors. theta energy: 4.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -646.768944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.768944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.768944 (E_RNA)
where:
Base-Base interactions energy: -433.659
where: short stacking energy: -188.154
Base-Backbone interact. energy: -0.064
local terms energy: -213.045761
where:
bonds (distance) C4'-P energy: -39.089
bonds (distance) P-C4' energy: -35.301
flat angles C4'-P-C4' energy: -46.882
flat angles P-C4'-P energy: -29.572
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: 2, replica: 7
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -621.642202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.642202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.642202 (E_RNA)
where:
Base-Base interactions energy: -414.911
where: short stacking energy: -199.786
Base-Backbone interact. energy: -0.131
local terms energy: -206.599872
where:
bonds (distance) C4'-P energy: -35.609
bonds (distance) P-C4' energy: -44.469
flat angles C4'-P-C4' energy: -45.219
flat angles P-C4'-P energy: -24.012
tors. eta vs tors. theta energy: -57.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -562.247716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.247716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.247716 (E_RNA)
where:
Base-Base interactions energy: -361.440
where: short stacking energy: -178.766
Base-Backbone interact. energy: -0.368
local terms energy: -200.439582
where:
bonds (distance) C4'-P energy: -41.436
bonds (distance) P-C4' energy: -39.605
flat angles C4'-P-C4' energy: -36.309
flat angles P-C4'-P energy: -28.966
tors. eta vs tors. theta energy: -54.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -571.956152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.956152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.956152 (E_RNA)
where:
Base-Base interactions energy: -376.398
where: short stacking energy: -164.581
Base-Backbone interact. energy: -1.121
local terms energy: -194.438024
where:
bonds (distance) C4'-P energy: -37.184
bonds (distance) P-C4' energy: -34.634
flat angles C4'-P-C4' energy: -41.413
flat angles P-C4'-P energy: -32.965
tors. eta vs tors. theta energy: -48.242
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: 5, replica: 2
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -510.854270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.854270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.854270 (E_RNA)
where:
Base-Base interactions energy: -339.225
where: short stacking energy: -155.228
Base-Backbone interact. energy: -1.152
local terms energy: -170.477660
where:
bonds (distance) C4'-P energy: -31.552
bonds (distance) P-C4' energy: -30.907
flat angles C4'-P-C4' energy: -36.857
flat angles P-C4'-P energy: -26.467
tors. eta vs tors. theta energy: -44.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -514.972162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.972162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.972162 (E_RNA)
where:
Base-Base interactions energy: -334.804
where: short stacking energy: -131.706
Base-Backbone interact. energy: -1.135
local terms energy: -179.033914
where:
bonds (distance) C4'-P energy: -42.182
bonds (distance) P-C4' energy: -29.253
flat angles C4'-P-C4' energy: -36.324
flat angles P-C4'-P energy: -29.350
tors. eta vs tors. theta energy: -41.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -271.718844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.718844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.718844 (E_RNA)
where:
Base-Base interactions energy: -140.781
where: short stacking energy: -78.709
Base-Backbone interact. energy: 0.914
local terms energy: -131.851939
where:
bonds (distance) C4'-P energy: -35.724
bonds (distance) P-C4' energy: -38.002
flat angles C4'-P-C4' energy: -32.622
flat angles P-C4'-P energy: -20.790
tors. eta vs tors. theta energy: -4.714
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: 10
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -192.365209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.365209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.365209 (E_RNA)
where:
Base-Base interactions energy: -61.485
where: short stacking energy: -52.940
Base-Backbone interact. energy: -0.372
local terms energy: -130.508044
where:
bonds (distance) C4'-P energy: -35.685
bonds (distance) P-C4' energy: -38.281
flat angles C4'-P-C4' energy: -32.071
flat angles P-C4'-P energy: -20.630
tors. eta vs tors. theta energy: -3.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -243.948993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.948993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.948993 (E_RNA)
where:
Base-Base interactions energy: -117.561
where: short stacking energy: -61.296
Base-Backbone interact. energy: -0.728
local terms energy: -125.660462
where:
bonds (distance) C4'-P energy: -36.239
bonds (distance) P-C4' energy: -37.221
flat angles C4'-P-C4' energy: -30.964
flat angles P-C4'-P energy: -15.836
tors. eta vs tors. theta energy: -5.401
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: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -192.451266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.451266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.451266 (E_RNA)
where:
Base-Base interactions energy: -85.260
where: short stacking energy: -70.254
Base-Backbone interact. energy: -0.000
local terms energy: -107.190996
where:
bonds (distance) C4'-P energy: -30.441
bonds (distance) P-C4' energy: -33.939
flat angles C4'-P-C4' energy: -30.962
flat angles P-C4'-P energy: -7.534
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: 5
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -650.291896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.291896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.291896 (E_RNA)
where:
Base-Base interactions energy: -431.357
where: short stacking energy: -189.839
Base-Backbone interact. energy: -1.080
local terms energy: -217.854906
where:
bonds (distance) C4'-P energy: -40.602
bonds (distance) P-C4' energy: -39.526
flat angles C4'-P-C4' energy: -39.384
flat angles P-C4'-P energy: -35.956
tors. eta vs tors. theta energy: -62.388
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: 2, replica: 7
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -635.322716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.322716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.322716 (E_RNA)
where:
Base-Base interactions energy: -415.500
where: short stacking energy: -192.289
Base-Backbone interact. energy: -0.741
local terms energy: -219.082584
where:
bonds (distance) C4'-P energy: -45.514
bonds (distance) P-C4' energy: -40.303
flat angles C4'-P-C4' energy: -43.540
flat angles P-C4'-P energy: -28.899
tors. eta vs tors. theta energy: -60.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -560.556004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.556004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.556004 (E_RNA)
where:
Base-Base interactions energy: -354.042
where: short stacking energy: -182.327
Base-Backbone interact. energy: 2.124
local terms energy: -208.637922
where:
bonds (distance) C4'-P energy: -38.732
bonds (distance) P-C4' energy: -41.708
flat angles C4'-P-C4' energy: -46.843
flat angles P-C4'-P energy: -24.872
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: 1
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -613.831648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.831648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.831648 (E_RNA)
where:
Base-Base interactions energy: -395.176
where: short stacking energy: -162.468
Base-Backbone interact. energy: 1.197
local terms energy: -219.853108
where:
bonds (distance) C4'-P energy: -43.208
bonds (distance) P-C4' energy: -38.150
flat angles C4'-P-C4' energy: -47.980
flat angles P-C4'-P energy: -38.112
tors. eta vs tors. theta energy: -52.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -526.018072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.018072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.018072 (E_RNA)
where:
Base-Base interactions energy: -341.068
where: short stacking energy: -146.844
Base-Backbone interact. energy: -0.088
local terms energy: -184.861470
where:
bonds (distance) C4'-P energy: -36.409
bonds (distance) P-C4' energy: -37.551
flat angles C4'-P-C4' energy: -42.073
flat angles P-C4'-P energy: -23.913
tors. eta vs tors. theta energy: -44.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -502.677798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.677798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.677798 (E_RNA)
where:
Base-Base interactions energy: -332.796
where: short stacking energy: -142.608
Base-Backbone interact. energy: -0.395
local terms energy: -169.486685
where:
bonds (distance) C4'-P energy: -31.781
bonds (distance) P-C4' energy: -32.912
flat angles C4'-P-C4' energy: -39.266
flat angles P-C4'-P energy: -25.757
tors. eta vs tors. theta energy: -39.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -303.572027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.572027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.572027 (E_RNA)
where:
Base-Base interactions energy: -180.631
where: short stacking energy: -75.355
Base-Backbone interact. energy: -2.395
local terms energy: -120.546102
where:
bonds (distance) C4'-P energy: -38.005
bonds (distance) P-C4' energy: -26.315
flat angles C4'-P-C4' energy: -31.010
flat angles P-C4'-P energy: -19.496
tors. eta vs tors. theta energy: -5.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -264.028903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.028903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.028903 (E_RNA)
where:
Base-Base interactions energy: -124.018
where: short stacking energy: -56.961
Base-Backbone interact. energy: -0.267
local terms energy: -139.743881
where:
bonds (distance) C4'-P energy: -32.885
bonds (distance) P-C4' energy: -38.132
flat angles C4'-P-C4' energy: -32.922
flat angles P-C4'-P energy: -24.811
tors. eta vs tors. theta energy: -10.994
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: 10
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -174.419462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.419462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.419462 (E_RNA)
where:
Base-Base interactions energy: -86.574
where: short stacking energy: -53.380
Base-Backbone interact. energy: 0.760
local terms energy: -88.604801
where:
bonds (distance) C4'-P energy: -28.177
bonds (distance) P-C4' energy: -29.192
flat angles C4'-P-C4' energy: -32.426
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: 11.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -168.340879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.340879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.340879 (E_RNA)
where:
Base-Base interactions energy: -58.120
where: short stacking energy: -43.521
Base-Backbone interact. energy: -0.495
local terms energy: -109.725415
where:
bonds (distance) C4'-P energy: -35.857
bonds (distance) P-C4' energy: -22.984
flat angles C4'-P-C4' energy: -35.803
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -1.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -654.136678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.136678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.136678 (E_RNA)
where:
Base-Base interactions energy: -446.401
where: short stacking energy: -205.971
Base-Backbone interact. energy: 2.324
local terms energy: -210.059431
where:
bonds (distance) C4'-P energy: -34.472
bonds (distance) P-C4' energy: -34.361
flat angles C4'-P-C4' energy: -45.071
flat angles P-C4'-P energy: -30.971
tors. eta vs tors. theta energy: -65.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -613.123654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.123654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.123654 (E_RNA)
where:
Base-Base interactions energy: -407.514
where: short stacking energy: -194.183
Base-Backbone interact. energy: -0.599
local terms energy: -205.010164
where:
bonds (distance) C4'-P energy: -35.884
bonds (distance) P-C4' energy: -42.773
flat angles C4'-P-C4' energy: -40.615
flat angles P-C4'-P energy: -25.891
tors. eta vs tors. theta energy: -59.848
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: 160
Temperature: 1.000000
Total energy: -605.494875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.494875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.494875 (E_RNA)
where:
Base-Base interactions energy: -388.627
where: short stacking energy: -165.422
Base-Backbone interact. energy: 0.046
local terms energy: -216.913291
where:
bonds (distance) C4'-P energy: -40.659
bonds (distance) P-C4' energy: -40.784
flat angles C4'-P-C4' energy: -45.942
flat angles P-C4'-P energy: -34.683
tors. eta vs tors. theta energy: -54.845
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: 4
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -546.145117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.145117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.145117 (E_RNA)
where:
Base-Base interactions energy: -349.477
where: short stacking energy: -174.714
Base-Backbone interact. energy: -0.955
local terms energy: -195.713034
where:
bonds (distance) C4'-P energy: -28.599
bonds (distance) P-C4' energy: -38.351
flat angles C4'-P-C4' energy: -41.131
flat angles P-C4'-P energy: -27.466
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: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -527.202159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.202159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.202159 (E_RNA)
where:
Base-Base interactions energy: -358.958
where: short stacking energy: -164.537
Base-Backbone interact. energy: -0.077
local terms energy: -168.166862
where:
bonds (distance) C4'-P energy: -37.661
bonds (distance) P-C4' energy: -24.101
flat angles C4'-P-C4' energy: -39.362
flat angles P-C4'-P energy: -23.618
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: 6, replica: 3
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -494.006425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.006425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.006425 (E_RNA)
where:
Base-Base interactions energy: -315.703
where: short stacking energy: -143.887
Base-Backbone interact. energy: -0.723
local terms energy: -177.579869
where:
bonds (distance) C4'-P energy: -29.340
bonds (distance) P-C4' energy: -36.109
flat angles C4'-P-C4' energy: -41.763
flat angles P-C4'-P energy: -27.437
tors. eta vs tors. theta energy: -42.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -304.878379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.878379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.878379 (E_RNA)
where:
Base-Base interactions energy: -178.667
where: short stacking energy: -72.206
Base-Backbone interact. energy: -0.995
local terms energy: -125.216322
where:
bonds (distance) C4'-P energy: -30.804
bonds (distance) P-C4' energy: -36.560
flat angles C4'-P-C4' energy: -40.185
flat angles P-C4'-P energy: -22.392
tors. eta vs tors. theta energy: 4.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -252.610037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.610037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.610037 (E_RNA)
where:
Base-Base interactions energy: -119.619
where: short stacking energy: -71.331
Base-Backbone interact. energy: -0.336
local terms energy: -132.654777
where:
bonds (distance) C4'-P energy: -37.903
bonds (distance) P-C4' energy: -34.786
flat angles C4'-P-C4' energy: -31.652
flat angles P-C4'-P energy: -23.624
tors. eta vs tors. theta energy: -4.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -181.342474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.342474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.342474 (E_RNA)
where:
Base-Base interactions energy: -64.305
where: short stacking energy: -48.851
Base-Backbone interact. energy: 2.395
local terms energy: -119.432315
where:
bonds (distance) C4'-P energy: -38.753
bonds (distance) P-C4' energy: -35.066
flat angles C4'-P-C4' energy: -35.068
flat angles P-C4'-P energy: -11.971
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: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -171.211109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.211109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.211109 (E_RNA)
where:
Base-Base interactions energy: -66.001
where: short stacking energy: -53.157
Base-Backbone interact. energy: 0.637
local terms energy: -105.847206
where:
bonds (distance) C4'-P energy: -29.916
bonds (distance) P-C4' energy: -41.527
flat angles C4'-P-C4' energy: -21.599
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: 1.281
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: 5
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -645.638236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.638236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.638236 (E_RNA)
where:
Base-Base interactions energy: -426.223
where: short stacking energy: -195.256
Base-Backbone interact. energy: -0.376
local terms energy: -219.039627
where:
bonds (distance) C4'-P energy: -46.224
bonds (distance) P-C4' energy: -40.725
flat angles C4'-P-C4' energy: -42.576
flat angles P-C4'-P energy: -25.682
tors. eta vs tors. theta energy: -63.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -615.964581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.964581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.964581 (E_RNA)
where:
Base-Base interactions energy: -393.409
where: short stacking energy: -195.745
Base-Backbone interact. energy: -0.502
local terms energy: -222.053615
where:
bonds (distance) C4'-P energy: -43.979
bonds (distance) P-C4' energy: -41.923
flat angles C4'-P-C4' energy: -40.959
flat angles P-C4'-P energy: -35.714
tors. eta vs tors. theta energy: -59.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -598.379944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.379944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.379944 (E_RNA)
where:
Base-Base interactions energy: -408.372
where: short stacking energy: -180.072
Base-Backbone interact. energy: 2.676
local terms energy: -192.684500
where:
bonds (distance) C4'-P energy: -38.137
bonds (distance) P-C4' energy: -30.054
flat angles C4'-P-C4' energy: -46.873
flat angles P-C4'-P energy: -29.393
tors. eta vs tors. theta energy: -48.228
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: 4, replica: 2
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -540.843718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.843718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.843718 (E_RNA)
where:
Base-Base interactions energy: -346.615
where: short stacking energy: -143.776
Base-Backbone interact. energy: -0.407
local terms energy: -193.821834
where:
bonds (distance) C4'-P energy: -38.718
bonds (distance) P-C4' energy: -39.013
flat angles C4'-P-C4' energy: -37.068
flat angles P-C4'-P energy: -33.362
tors. eta vs tors. theta energy: -45.661
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: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -536.649428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.649428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.649428 (E_RNA)
where:
Base-Base interactions energy: -349.662
where: short stacking energy: -160.138
Base-Backbone interact. energy: -0.329
local terms energy: -186.658626
where:
bonds (distance) C4'-P energy: -40.636
bonds (distance) P-C4' energy: -36.515
flat angles C4'-P-C4' energy: -26.476
flat angles P-C4'-P energy: -32.505
tors. eta vs tors. theta energy: -50.526
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: 6, replica: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -515.780150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.780150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.780150 (E_RNA)
where:
Base-Base interactions energy: -335.709
where: short stacking energy: -142.873
Base-Backbone interact. energy: -0.419
local terms energy: -179.651742
where:
bonds (distance) C4'-P energy: -36.893
bonds (distance) P-C4' energy: -35.694
flat angles C4'-P-C4' energy: -34.457
flat angles P-C4'-P energy: -23.023
tors. eta vs tors. theta energy: -49.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -266.313912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.313912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.313912 (E_RNA)
where:
Base-Base interactions energy: -130.149
where: short stacking energy: -70.122
Base-Backbone interact. energy: -0.425
local terms energy: -135.739801
where:
bonds (distance) C4'-P energy: -35.634
bonds (distance) P-C4' energy: -36.307
flat angles C4'-P-C4' energy: -33.710
flat angles P-C4'-P energy: -25.207
tors. eta vs tors. theta energy: -4.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -271.273357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.273357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.273357 (E_RNA)
where:
Base-Base interactions energy: -144.534
where: short stacking energy: -68.708
Base-Backbone interact. energy: 0.521
local terms energy: -127.260115
where:
bonds (distance) C4'-P energy: -34.522
bonds (distance) P-C4' energy: -32.288
flat angles C4'-P-C4' energy: -30.795
flat angles P-C4'-P energy: -24.090
tors. eta vs tors. theta energy: -5.565
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: 10
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -168.857176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.857176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.857176 (E_RNA)
where:
Base-Base interactions energy: -71.384
where: short stacking energy: -56.562
Base-Backbone interact. energy: 3.668
local terms energy: -101.141334
where:
bonds (distance) C4'-P energy: -31.361
bonds (distance) P-C4' energy: -33.623
flat angles C4'-P-C4' energy: -27.062
flat angles P-C4'-P energy: -20.191
tors. eta vs tors. theta energy: 11.095
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: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -179.962484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.962484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.962484 (E_RNA)
where:
Base-Base interactions energy: -68.352
where: short stacking energy: -47.885
Base-Backbone interact. energy: -1.366
local terms energy: -110.243859
where:
bonds (distance) C4'-P energy: -29.793
bonds (distance) P-C4' energy: -35.223
flat angles C4'-P-C4' energy: -35.610
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: 3.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -644.444568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.444568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.444568 (E_RNA)
where:
Base-Base interactions energy: -432.171
where: short stacking energy: -193.698
Base-Backbone interact. energy: -0.546
local terms energy: -211.727977
where:
bonds (distance) C4'-P energy: -28.831
bonds (distance) P-C4' energy: -41.646
flat angles C4'-P-C4' energy: -48.145
flat angles P-C4'-P energy: -33.497
tors. eta vs tors. theta energy: -59.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -618.869348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.869348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.869348 (E_RNA)
where:
Base-Base interactions energy: -417.177
where: short stacking energy: -197.919
Base-Backbone interact. energy: 2.838
local terms energy: -204.530871
where:
bonds (distance) C4'-P energy: -40.937
bonds (distance) P-C4' energy: -30.339
flat angles C4'-P-C4' energy: -44.586
flat angles P-C4'-P energy: -30.371
tors. eta vs tors. theta energy: -58.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -576.914322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.914322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.914322 (E_RNA)
where:
Base-Base interactions energy: -388.597
where: short stacking energy: -157.496
Base-Backbone interact. energy: -0.378
local terms energy: -187.939276
where:
bonds (distance) C4'-P energy: -32.842
bonds (distance) P-C4' energy: -39.498
flat angles C4'-P-C4' energy: -40.501
flat angles P-C4'-P energy: -30.268
tors. eta vs tors. theta energy: -44.831
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: 2
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -548.041141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.041141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.041141 (E_RNA)
where:
Base-Base interactions energy: -365.337
where: short stacking energy: -166.591
Base-Backbone interact. energy: 0.323
local terms energy: -183.027884
where:
bonds (distance) C4'-P energy: -35.794
bonds (distance) P-C4' energy: -35.700
flat angles C4'-P-C4' energy: -45.101
flat angles P-C4'-P energy: -26.934
tors. eta vs tors. theta energy: -39.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -496.315235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.315235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.315235 (E_RNA)
where:
Base-Base interactions energy: -304.895
where: short stacking energy: -131.923
Base-Backbone interact. energy: -0.325
local terms energy: -191.094555
where:
bonds (distance) C4'-P energy: -38.452
bonds (distance) P-C4' energy: -44.125
flat angles C4'-P-C4' energy: -41.581
flat angles P-C4'-P energy: -31.502
tors. eta vs tors. theta energy: -35.435
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: 6, replica: 4
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -483.144634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.144634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.144634 (E_RNA)
where:
Base-Base interactions energy: -298.218
where: short stacking energy: -144.503
Base-Backbone interact. energy: -0.504
local terms energy: -184.422347
where:
bonds (distance) C4'-P energy: -38.767
bonds (distance) P-C4' energy: -35.660
flat angles C4'-P-C4' energy: -37.885
flat angles P-C4'-P energy: -33.038
tors. eta vs tors. theta energy: -39.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -257.015212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.015212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.015212 (E_RNA)
where:
Base-Base interactions energy: -124.993
where: short stacking energy: -55.512
Base-Backbone interact. energy: -0.557
local terms energy: -131.465461
where:
bonds (distance) C4'-P energy: -37.524
bonds (distance) P-C4' energy: -36.849
flat angles C4'-P-C4' energy: -35.370
flat angles P-C4'-P energy: -20.277
tors. eta vs tors. theta energy: -1.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -233.021717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.021717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.021717 (E_RNA)
where:
Base-Base interactions energy: -117.379
where: short stacking energy: -63.491
Base-Backbone interact. energy: -0.867
local terms energy: -114.775584
where:
bonds (distance) C4'-P energy: -31.206
bonds (distance) P-C4' energy: -32.966
flat angles C4'-P-C4' energy: -32.696
flat angles P-C4'-P energy: -20.927
tors. eta vs tors. theta energy: 3.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -187.113610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.113610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.113610 (E_RNA)
where:
Base-Base interactions energy: -63.367
where: short stacking energy: -54.617
Base-Backbone interact. energy: 2.365
local terms energy: -126.111400
where:
bonds (distance) C4'-P energy: -37.132
bonds (distance) P-C4' energy: -34.146
flat angles C4'-P-C4' energy: -32.261
flat angles P-C4'-P energy: -27.344
tors. eta vs tors. theta energy: 4.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -158.681915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.681915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.681915 (E_RNA)
where:
Base-Base interactions energy: -46.199
where: short stacking energy: -31.842
Base-Backbone interact. energy: -0.336
local terms energy: -112.146785
where:
bonds (distance) C4'-P energy: -33.870
bonds (distance) P-C4' energy: -32.450
flat angles C4'-P-C4' energy: -39.761
flat angles P-C4'-P energy: -15.166
tors. eta vs tors. theta energy: 9.100
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: 1, replica: 5
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -635.440303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.440303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.440303 (E_RNA)
where:
Base-Base interactions energy: -422.639
where: short stacking energy: -196.898
Base-Backbone interact. energy: -0.559
local terms energy: -212.242262
where:
bonds (distance) C4'-P energy: -36.810
bonds (distance) P-C4' energy: -39.848
flat angles C4'-P-C4' energy: -49.257
flat angles P-C4'-P energy: -34.578
tors. eta vs tors. theta energy: -51.750
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: 1
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -616.954579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.954579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.954579 (E_RNA)
where:
Base-Base interactions energy: -404.839
where: short stacking energy: -177.334
Base-Backbone interact. energy: -1.001
local terms energy: -211.114857
where:
bonds (distance) C4'-P energy: -32.928
bonds (distance) P-C4' energy: -42.451
flat angles C4'-P-C4' energy: -47.562
flat angles P-C4'-P energy: -31.714
tors. eta vs tors. theta energy: -56.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -586.451509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.451509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.451509 (E_RNA)
where:
Base-Base interactions energy: -390.110
where: short stacking energy: -174.906
Base-Backbone interact. energy: -0.481
local terms energy: -195.860326
where:
bonds (distance) C4'-P energy: -34.323
bonds (distance) P-C4' energy: -35.229
flat angles C4'-P-C4' energy: -34.960
flat angles P-C4'-P energy: -34.760
tors. eta vs tors. theta energy: -56.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -537.112166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.112166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.112166 (E_RNA)
where:
Base-Base interactions energy: -350.075
where: short stacking energy: -168.338
Base-Backbone interact. energy: -0.216
local terms energy: -186.820949
where:
bonds (distance) C4'-P energy: -25.772
bonds (distance) P-C4' energy: -39.433
flat angles C4'-P-C4' energy: -43.771
flat angles P-C4'-P energy: -30.978
tors. eta vs tors. theta energy: -46.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -535.465905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.465905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.465905 (E_RNA)
where:
Base-Base interactions energy: -344.722
where: short stacking energy: -137.968
Base-Backbone interact. energy: 0.996
local terms energy: -191.739690
where:
bonds (distance) C4'-P energy: -32.572
bonds (distance) P-C4' energy: -38.884
flat angles C4'-P-C4' energy: -45.404
flat angles P-C4'-P energy: -26.460
tors. eta vs tors. theta energy: -48.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -455.988106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.988106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.988106 (E_RNA)
where:
Base-Base interactions energy: -283.946
where: short stacking energy: -144.929
Base-Backbone interact. energy: 1.497
local terms energy: -173.539324
where:
bonds (distance) C4'-P energy: -36.455
bonds (distance) P-C4' energy: -36.483
flat angles C4'-P-C4' energy: -34.277
flat angles P-C4'-P energy: -23.939
tors. eta vs tors. theta energy: -42.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -306.052445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.052445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.052445 (E_RNA)
where:
Base-Base interactions energy: -168.569
where: short stacking energy: -85.228
Base-Backbone interact. energy: -0.080
local terms energy: -137.402788
where:
bonds (distance) C4'-P energy: -25.414
bonds (distance) P-C4' energy: -34.221
flat angles C4'-P-C4' energy: -36.187
flat angles P-C4'-P energy: -26.802
tors. eta vs tors. theta energy: -14.779
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: 6
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -194.727430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.727430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.727430 (E_RNA)
where:
Base-Base interactions energy: -66.451
where: short stacking energy: -52.355
Base-Backbone interact. energy: -1.092
local terms energy: -127.183727
where:
bonds (distance) C4'-P energy: -40.029
bonds (distance) P-C4' energy: -43.088
flat angles C4'-P-C4' energy: -29.099
flat angles P-C4'-P energy: -14.802
tors. eta vs tors. theta energy: -0.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -222.492488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.492488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.492488 (E_RNA)
where:
Base-Base interactions energy: -105.537
where: short stacking energy: -57.541
Base-Backbone interact. energy: -1.170
local terms energy: -115.785979
where:
bonds (distance) C4'-P energy: -38.821
bonds (distance) P-C4' energy: -35.595
flat angles C4'-P-C4' energy: -26.057
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -3.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -162.883062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.883062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.883062 (E_RNA)
where:
Base-Base interactions energy: -62.742
where: short stacking energy: -41.423
Base-Backbone interact. energy: 2.729
local terms energy: -102.870155
where:
bonds (distance) C4'-P energy: -27.669
bonds (distance) P-C4' energy: -40.758
flat angles C4'-P-C4' energy: -33.619
flat angles P-C4'-P energy: -15.291
tors. eta vs tors. theta energy: 14.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -642.285365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.285365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.285365 (E_RNA)
where:
Base-Base interactions energy: -439.211
where: short stacking energy: -190.479
Base-Backbone interact. energy: -1.570
local terms energy: -201.504589
where:
bonds (distance) C4'-P energy: -33.594
bonds (distance) P-C4' energy: -41.781
flat angles C4'-P-C4' energy: -45.666
flat angles P-C4'-P energy: -23.857
tors. eta vs tors. theta energy: -56.606
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: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -644.181887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.181887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.181887 (E_RNA)
where:
Base-Base interactions energy: -428.258
where: short stacking energy: -189.287
Base-Backbone interact. energy: 0.640
local terms energy: -216.563756
where:
bonds (distance) C4'-P energy: -37.347
bonds (distance) P-C4' energy: -45.054
flat angles C4'-P-C4' energy: -45.463
flat angles P-C4'-P energy: -31.585
tors. eta vs tors. theta energy: -57.115
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: 7
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -593.326856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.326856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.326856 (E_RNA)
where:
Base-Base interactions energy: -386.635
where: short stacking energy: -177.623
Base-Backbone interact. energy: -0.834
local terms energy: -205.857779
where:
bonds (distance) C4'-P energy: -40.236
bonds (distance) P-C4' energy: -36.089
flat angles C4'-P-C4' energy: -43.640
flat angles P-C4'-P energy: -25.928
tors. eta vs tors. theta energy: -59.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -530.682377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.682377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.682377 (E_RNA)
where:
Base-Base interactions energy: -334.608
where: short stacking energy: -154.974
Base-Backbone interact. energy: -0.813
local terms energy: -195.260708
where:
bonds (distance) C4'-P energy: -39.656
bonds (distance) P-C4' energy: -44.001
flat angles C4'-P-C4' energy: -35.399
flat angles P-C4'-P energy: -25.003
tors. eta vs tors. theta energy: -51.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -479.308165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.308165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.308165 (E_RNA)
where:
Base-Base interactions energy: -286.646
where: short stacking energy: -155.914
Base-Backbone interact. energy: -0.938
local terms energy: -191.723613
where:
bonds (distance) C4'-P energy: -39.353
bonds (distance) P-C4' energy: -28.601
flat angles C4'-P-C4' energy: -40.710
flat angles P-C4'-P energy: -32.779
tors. eta vs tors. theta energy: -50.280
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: 6, replica: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -489.494472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.494472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.494472 (E_RNA)
where:
Base-Base interactions energy: -316.299
where: short stacking energy: -149.340
Base-Backbone interact. energy: -0.178
local terms energy: -173.017484
where:
bonds (distance) C4'-P energy: -35.553
bonds (distance) P-C4' energy: -35.875
flat angles C4'-P-C4' energy: -32.614
flat angles P-C4'-P energy: -29.031
tors. eta vs tors. theta energy: -39.945
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: 7, replica: 9
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -334.481582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.481582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.481582 (E_RNA)
where:
Base-Base interactions energy: -187.397
where: short stacking energy: -95.799
Base-Backbone interact. energy: -0.846
local terms energy: -146.238414
where:
bonds (distance) C4'-P energy: -29.315
bonds (distance) P-C4' energy: -45.657
flat angles C4'-P-C4' energy: -40.535
flat angles P-C4'-P energy: -16.443
tors. eta vs tors. theta energy: -14.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -198.618705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.618705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.618705 (E_RNA)
where:
Base-Base interactions energy: -76.017
where: short stacking energy: -69.634
Base-Backbone interact. energy: -0.824
local terms energy: -121.778196
where:
bonds (distance) C4'-P energy: -36.373
bonds (distance) P-C4' energy: -38.870
flat angles C4'-P-C4' energy: -29.379
flat angles P-C4'-P energy: -14.922
tors. eta vs tors. theta energy: -2.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -202.067884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.067884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.067884 (E_RNA)
where:
Base-Base interactions energy: -83.133
where: short stacking energy: -68.433
Base-Backbone interact. energy: 1.284
local terms energy: -120.218929
where:
bonds (distance) C4'-P energy: -37.281
bonds (distance) P-C4' energy: -35.008
flat angles C4'-P-C4' energy: -21.650
flat angles P-C4'-P energy: -21.583
tors. eta vs tors. theta energy: -4.697
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: 10, replica: 8
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -166.415814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.415814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.415814 (E_RNA)
where:
Base-Base interactions energy: -60.170
where: short stacking energy: -53.686
Base-Backbone interact. energy: 0.188
local terms energy: -106.434074
where:
bonds (distance) C4'-P energy: -35.373
bonds (distance) P-C4' energy: -35.191
flat angles C4'-P-C4' energy: -28.011
flat angles P-C4'-P energy: -17.847
tors. eta vs tors. theta energy: 9.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -641.934957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.934957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.934957 (E_RNA)
where:
Base-Base interactions energy: -430.479
where: short stacking energy: -181.557
Base-Backbone interact. energy: -0.903
local terms energy: -210.553170
where:
bonds (distance) C4'-P energy: -38.640
bonds (distance) P-C4' energy: -39.104
flat angles C4'-P-C4' energy: -49.478
flat angles P-C4'-P energy: -30.520
tors. eta vs tors. theta energy: -52.810
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: 2, replica: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -606.466646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.466646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.466646 (E_RNA)
where:
Base-Base interactions energy: -397.729
where: short stacking energy: -160.603
Base-Backbone interact. energy: 0.337
local terms energy: -209.074490
where:
bonds (distance) C4'-P energy: -40.046
bonds (distance) P-C4' energy: -45.214
flat angles C4'-P-C4' energy: -43.038
flat angles P-C4'-P energy: -27.552
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: 3, replica: 7
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -606.140683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.140683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.140683 (E_RNA)
where:
Base-Base interactions energy: -384.977
where: short stacking energy: -182.565
Base-Backbone interact. energy: -0.091
local terms energy: -221.073133
where:
bonds (distance) C4'-P energy: -40.310
bonds (distance) P-C4' energy: -47.960
flat angles C4'-P-C4' energy: -40.015
flat angles P-C4'-P energy: -36.337
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: 4, replica: 2
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -518.772300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.772300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.772300 (E_RNA)
where:
Base-Base interactions energy: -334.357
where: short stacking energy: -139.474
Base-Backbone interact. energy: -1.150
local terms energy: -183.265387
where:
bonds (distance) C4'-P energy: -29.995
bonds (distance) P-C4' energy: -38.965
flat angles C4'-P-C4' energy: -43.928
flat angles P-C4'-P energy: -27.758
tors. eta vs tors. theta energy: -42.620
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: 4
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -497.824959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.824959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.824959 (E_RNA)
where:
Base-Base interactions energy: -315.853
where: short stacking energy: -158.562
Base-Backbone interact. energy: -1.048
local terms energy: -180.924463
where:
bonds (distance) C4'-P energy: -37.953
bonds (distance) P-C4' energy: -31.216
flat angles C4'-P-C4' energy: -42.562
flat angles P-C4'-P energy: -24.537
tors. eta vs tors. theta energy: -44.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -486.319154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.319154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.319154 (E_RNA)
where:
Base-Base interactions energy: -299.259
where: short stacking energy: -142.578
Base-Backbone interact. energy: -1.402
local terms energy: -185.657828
where:
bonds (distance) C4'-P energy: -35.169
bonds (distance) P-C4' energy: -41.675
flat angles C4'-P-C4' energy: -37.389
flat angles P-C4'-P energy: -31.332
tors. eta vs tors. theta energy: -40.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -341.452831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.452831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.452831 (E_RNA)
where:
Base-Base interactions energy: -196.754
where: short stacking energy: -112.892
Base-Backbone interact. energy: -1.187
local terms energy: -143.511851
where:
bonds (distance) C4'-P energy: -27.552
bonds (distance) P-C4' energy: -27.794
flat angles C4'-P-C4' energy: -36.033
flat angles P-C4'-P energy: -23.004
tors. eta vs tors. theta energy: -29.129
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: 8, replica: 10
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -214.125639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.125639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.125639 (E_RNA)
where:
Base-Base interactions energy: -97.510
where: short stacking energy: -65.887
Base-Backbone interact. energy: -0.355
local terms energy: -116.260778
where:
bonds (distance) C4'-P energy: -27.094
bonds (distance) P-C4' energy: -33.170
flat angles C4'-P-C4' energy: -35.250
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -6.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -186.895304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.895304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.895304 (E_RNA)
where:
Base-Base interactions energy: -63.045
where: short stacking energy: -52.647
Base-Backbone interact. energy: -0.396
local terms energy: -123.454168
where:
bonds (distance) C4'-P energy: -37.078
bonds (distance) P-C4' energy: -40.926
flat angles C4'-P-C4' energy: -31.768
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -6.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -178.003440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.003440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.003440 (E_RNA)
where:
Base-Base interactions energy: -69.346
where: short stacking energy: -59.240
Base-Backbone interact. energy: -1.138
local terms energy: -107.519085
where:
bonds (distance) C4'-P energy: -29.007
bonds (distance) P-C4' energy: -31.182
flat angles C4'-P-C4' energy: -34.121
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -0.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -653.441448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.441448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.441448 (E_RNA)
where:
Base-Base interactions energy: -438.900
where: short stacking energy: -186.578
Base-Backbone interact. energy: -1.102
local terms energy: -213.438882
where:
bonds (distance) C4'-P energy: -38.737
bonds (distance) P-C4' energy: -40.236
flat angles C4'-P-C4' energy: -38.747
flat angles P-C4'-P energy: -33.417
tors. eta vs tors. theta energy: -62.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -587.056535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.056535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.056535 (E_RNA)
where:
Base-Base interactions energy: -394.673
where: short stacking energy: -172.669
Base-Backbone interact. energy: -1.705
local terms energy: -190.679102
where:
bonds (distance) C4'-P energy: -36.076
bonds (distance) P-C4' energy: -34.723
flat angles C4'-P-C4' energy: -44.179
flat angles P-C4'-P energy: -30.042
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: 3, replica: 7
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -610.905662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.905662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.905662 (E_RNA)
where:
Base-Base interactions energy: -402.680
where: short stacking energy: -190.465
Base-Backbone interact. energy: 1.401
local terms energy: -209.626738
where:
bonds (distance) C4'-P energy: -34.506
bonds (distance) P-C4' energy: -42.271
flat angles C4'-P-C4' energy: -47.596
flat angles P-C4'-P energy: -26.353
tors. eta vs tors. theta energy: -58.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -530.013363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.013363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.013363 (E_RNA)
where:
Base-Base interactions energy: -340.541
where: short stacking energy: -159.655
Base-Backbone interact. energy: 2.549
local terms energy: -192.021374
where:
bonds (distance) C4'-P energy: -35.321
bonds (distance) P-C4' energy: -37.270
flat angles C4'-P-C4' energy: -40.559
flat angles P-C4'-P energy: -32.016
tors. eta vs tors. theta energy: -46.855
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: 5, replica: 3
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -490.755207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.755207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.755207 (E_RNA)
where:
Base-Base interactions energy: -307.866
where: short stacking energy: -137.242
Base-Backbone interact. energy: -0.181
local terms energy: -182.708592
where:
bonds (distance) C4'-P energy: -34.400
bonds (distance) P-C4' energy: -35.779
flat angles C4'-P-C4' energy: -43.548
flat angles P-C4'-P energy: -28.225
tors. eta vs tors. theta energy: -40.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -525.550985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.550985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.550985 (E_RNA)
where:
Base-Base interactions energy: -339.605
where: short stacking energy: -168.684
Base-Backbone interact. energy: -0.555
local terms energy: -185.390043
where:
bonds (distance) C4'-P energy: -34.160
bonds (distance) P-C4' energy: -36.581
flat angles C4'-P-C4' energy: -37.472
flat angles P-C4'-P energy: -29.927
tors. eta vs tors. theta energy: -47.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -314.440884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.440884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.440884 (E_RNA)
where:
Base-Base interactions energy: -167.576
where: short stacking energy: -79.770
Base-Backbone interact. energy: 1.611
local terms energy: -148.475858
where:
bonds (distance) C4'-P energy: -45.372
bonds (distance) P-C4' energy: -32.871
flat angles C4'-P-C4' energy: -37.258
flat angles P-C4'-P energy: -18.540
tors. eta vs tors. theta energy: -14.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -182.650497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.650497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.650497 (E_RNA)
where:
Base-Base interactions energy: -56.729
where: short stacking energy: -54.570
Base-Backbone interact. energy: -0.365
local terms energy: -125.556441
where:
bonds (distance) C4'-P energy: -36.005
bonds (distance) P-C4' energy: -35.397
flat angles C4'-P-C4' energy: -34.433
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: -5.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -183.455665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.455665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.455665 (E_RNA)
where:
Base-Base interactions energy: -61.818
where: short stacking energy: -50.354
Base-Backbone interact. energy: -0.468
local terms energy: -121.168970
where:
bonds (distance) C4'-P energy: -30.717
bonds (distance) P-C4' energy: -34.373
flat angles C4'-P-C4' energy: -32.685
flat angles P-C4'-P energy: -19.166
tors. eta vs tors. theta energy: -4.228
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: 8
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -164.028297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.028297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.028297 (E_RNA)
where:
Base-Base interactions energy: -57.205
where: short stacking energy: -46.626
Base-Backbone interact. energy: -0.072
local terms energy: -106.751719
where:
bonds (distance) C4'-P energy: -28.010
bonds (distance) P-C4' energy: -28.582
flat angles C4'-P-C4' energy: -33.072
flat angles P-C4'-P energy: -17.528
tors. eta vs tors. theta energy: 0.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -651.476232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.476232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.476232 (E_RNA)
where:
Base-Base interactions energy: -431.330
where: short stacking energy: -187.879
Base-Backbone interact. energy: -0.710
local terms energy: -219.436202
where:
bonds (distance) C4'-P energy: -44.491
bonds (distance) P-C4' energy: -41.041
flat angles C4'-P-C4' energy: -43.388
flat angles P-C4'-P energy: -31.363
tors. eta vs tors. theta energy: -59.154
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: 7
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -623.515368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.515368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.515368 (E_RNA)
where:
Base-Base interactions energy: -407.195
where: short stacking energy: -194.243
Base-Backbone interact. energy: 0.637
local terms energy: -216.957757
where:
bonds (distance) C4'-P energy: -42.369
bonds (distance) P-C4' energy: -42.882
flat angles C4'-P-C4' energy: -44.248
flat angles P-C4'-P energy: -31.177
tors. eta vs tors. theta energy: -56.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -587.544360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.544360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.544360 (E_RNA)
where:
Base-Base interactions energy: -398.222
where: short stacking energy: -167.603
Base-Backbone interact. energy: -1.692
local terms energy: -187.630404
where:
bonds (distance) C4'-P energy: -37.172
bonds (distance) P-C4' energy: -32.168
flat angles C4'-P-C4' energy: -42.496
flat angles P-C4'-P energy: -29.147
tors. eta vs tors. theta energy: -46.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -583.572935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.572935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.572935 (E_RNA)
where:
Base-Base interactions energy: -383.924
where: short stacking energy: -163.656
Base-Backbone interact. energy: -0.859
local terms energy: -198.789449
where:
bonds (distance) C4'-P energy: -27.804
bonds (distance) P-C4' energy: -35.652
flat angles C4'-P-C4' energy: -43.111
flat angles P-C4'-P energy: -36.411
tors. eta vs tors. theta energy: -55.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -526.424314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.424314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.424314 (E_RNA)
where:
Base-Base interactions energy: -328.607
where: short stacking energy: -140.511
Base-Backbone interact. energy: -1.631
local terms energy: -196.185863
where:
bonds (distance) C4'-P energy: -37.899
bonds (distance) P-C4' energy: -40.451
flat angles C4'-P-C4' energy: -42.913
flat angles P-C4'-P energy: -28.078
tors. eta vs tors. theta energy: -46.845
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: 167
Temperature: 1.150000
Total energy: -503.348750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.348750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.348750 (E_RNA)
where:
Base-Base interactions energy: -320.688
where: short stacking energy: -164.208
Base-Backbone interact. energy: -0.160
local terms energy: -182.500735
where:
bonds (distance) C4'-P energy: -33.127
bonds (distance) P-C4' energy: -34.993
flat angles C4'-P-C4' energy: -39.401
flat angles P-C4'-P energy: -24.150
tors. eta vs tors. theta energy: -50.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -324.151366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.151366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.151366 (E_RNA)
where:
Base-Base interactions energy: -185.770
where: short stacking energy: -107.453
Base-Backbone interact. energy: -1.295
local terms energy: -137.086525
where:
bonds (distance) C4'-P energy: -28.661
bonds (distance) P-C4' energy: -37.976
flat angles C4'-P-C4' energy: -35.305
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -22.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -200.218188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.218188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.218188 (E_RNA)
where:
Base-Base interactions energy: -65.419
where: short stacking energy: -52.753
Base-Backbone interact. energy: -0.826
local terms energy: -133.972736
where:
bonds (distance) C4'-P energy: -32.423
bonds (distance) P-C4' energy: -42.620
flat angles C4'-P-C4' energy: -36.894
flat angles P-C4'-P energy: -23.793
tors. eta vs tors. theta energy: 1.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -192.551837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.551837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.551837 (E_RNA)
where:
Base-Base interactions energy: -78.241
where: short stacking energy: -63.866
Base-Backbone interact. energy: 0.013
local terms energy: -114.323792
where:
bonds (distance) C4'-P energy: -28.896
bonds (distance) P-C4' energy: -36.107
flat angles C4'-P-C4' energy: -31.309
flat angles P-C4'-P energy: -18.220
tors. eta vs tors. theta energy: 0.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -157.147588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.147588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.147588 (E_RNA)
where:
Base-Base interactions energy: -41.619
where: short stacking energy: -41.873
Base-Backbone interact. energy: -0.618
local terms energy: -114.910733
where:
bonds (distance) C4'-P energy: -32.677
bonds (distance) P-C4' energy: -36.662
flat angles C4'-P-C4' energy: -22.874
flat angles P-C4'-P energy: -24.766
tors. eta vs tors. theta energy: 2.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -647.619443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.619443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.619443 (E_RNA)
where:
Base-Base interactions energy: -430.588
where: short stacking energy: -190.042
Base-Backbone interact. energy: -0.092
local terms energy: -216.939269
where:
bonds (distance) C4'-P energy: -36.527
bonds (distance) P-C4' energy: -45.547
flat angles C4'-P-C4' energy: -47.147
flat angles P-C4'-P energy: -27.977
tors. eta vs tors. theta energy: -59.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -626.380993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.380993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.380993 (E_RNA)
where:
Base-Base interactions energy: -419.294
where: short stacking energy: -199.801
Base-Backbone interact. energy: 0.601
local terms energy: -207.687375
where:
bonds (distance) C4'-P energy: -32.110
bonds (distance) P-C4' energy: -37.596
flat angles C4'-P-C4' energy: -41.471
flat angles P-C4'-P energy: -33.443
tors. eta vs tors. theta energy: -63.067
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: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -588.117643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.117643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.117643 (E_RNA)
where:
Base-Base interactions energy: -389.116
where: short stacking energy: -167.855
Base-Backbone interact. energy: -1.536
local terms energy: -197.465824
where:
bonds (distance) C4'-P energy: -30.626
bonds (distance) P-C4' energy: -35.496
flat angles C4'-P-C4' energy: -42.422
flat angles P-C4'-P energy: -33.513
tors. eta vs tors. theta energy: -55.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -582.172855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.172855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.172855 (E_RNA)
where:
Base-Base interactions energy: -400.597
where: short stacking energy: -166.160
Base-Backbone interact. energy: -2.159
local terms energy: -179.416868
where:
bonds (distance) C4'-P energy: -34.262
bonds (distance) P-C4' energy: -38.749
flat angles C4'-P-C4' energy: -39.618
flat angles P-C4'-P energy: -15.835
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: 5, replica: 3
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -524.549605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.549605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.549605 (E_RNA)
where:
Base-Base interactions energy: -353.605
where: short stacking energy: -165.314
Base-Backbone interact. energy: -0.972
local terms energy: -169.973029
where:
bonds (distance) C4'-P energy: -38.524
bonds (distance) P-C4' energy: -39.221
flat angles C4'-P-C4' energy: -27.554
flat angles P-C4'-P energy: -19.454
tors. eta vs tors. theta energy: -45.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -496.326949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.326949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.326949 (E_RNA)
where:
Base-Base interactions energy: -297.463
where: short stacking energy: -141.442
Base-Backbone interact. energy: -0.696
local terms energy: -198.168444
where:
bonds (distance) C4'-P energy: -42.112
bonds (distance) P-C4' energy: -39.626
flat angles C4'-P-C4' energy: -45.842
flat angles P-C4'-P energy: -22.161
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: 7, replica: 9
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -379.305828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.305828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.305828 (E_RNA)
where:
Base-Base interactions energy: -220.933
where: short stacking energy: -96.955
Base-Backbone interact. energy: -0.496
local terms energy: -157.876932
where:
bonds (distance) C4'-P energy: -36.778
bonds (distance) P-C4' energy: -39.111
flat angles C4'-P-C4' energy: -34.987
flat angles P-C4'-P energy: -23.002
tors. eta vs tors. theta energy: -23.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -202.192813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.192813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.192813 (E_RNA)
where:
Base-Base interactions energy: -80.578
where: short stacking energy: -64.397
Base-Backbone interact. energy: -0.169
local terms energy: -121.446028
where:
bonds (distance) C4'-P energy: -31.655
bonds (distance) P-C4' energy: -34.289
flat angles C4'-P-C4' energy: -24.637
flat angles P-C4'-P energy: -20.914
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: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -208.944376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.944376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.944376 (E_RNA)
where:
Base-Base interactions energy: -103.503
where: short stacking energy: -67.399
Base-Backbone interact. energy: 1.548
local terms energy: -106.989417
where:
bonds (distance) C4'-P energy: -26.047
bonds (distance) P-C4' energy: -37.717
flat angles C4'-P-C4' energy: -27.906
flat angles P-C4'-P energy: -16.511
tors. eta vs tors. theta energy: 1.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -181.064836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.064836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.064836 (E_RNA)
where:
Base-Base interactions energy: -64.700
where: short stacking energy: -61.647
Base-Backbone interact. energy: -0.523
local terms energy: -115.841824
where:
bonds (distance) C4'-P energy: -31.265
bonds (distance) P-C4' energy: -36.010
flat angles C4'-P-C4' energy: -33.286
flat angles P-C4'-P energy: -17.356
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: 1, replica: 5
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -658.428272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.428272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.428272 (E_RNA)
where:
Base-Base interactions energy: -435.563
where: short stacking energy: -199.809
Base-Backbone interact. energy: -1.555
local terms energy: -221.310859
where:
bonds (distance) C4'-P energy: -39.762
bonds (distance) P-C4' energy: -44.405
flat angles C4'-P-C4' energy: -42.155
flat angles P-C4'-P energy: -31.303
tors. eta vs tors. theta energy: -63.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -629.165489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.165489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.165489 (E_RNA)
where:
Base-Base interactions energy: -419.281
where: short stacking energy: -190.287
Base-Backbone interact. energy: -1.073
local terms energy: -208.811434
where:
bonds (distance) C4'-P energy: -31.178
bonds (distance) P-C4' energy: -41.976
flat angles C4'-P-C4' energy: -40.864
flat angles P-C4'-P energy: -32.521
tors. eta vs tors. theta energy: -62.272
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: 3, replica: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -589.323952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.323952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.323952 (E_RNA)
where:
Base-Base interactions energy: -400.288
where: short stacking energy: -172.958
Base-Backbone interact. energy: -0.174
local terms energy: -188.861726
where:
bonds (distance) C4'-P energy: -31.279
bonds (distance) P-C4' energy: -38.470
flat angles C4'-P-C4' energy: -38.517
flat angles P-C4'-P energy: -29.986
tors. eta vs tors. theta energy: -50.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -577.549941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.549941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.549941 (E_RNA)
where:
Base-Base interactions energy: -387.240
where: short stacking energy: -167.351
Base-Backbone interact. energy: -0.627
local terms energy: -189.683090
where:
bonds (distance) C4'-P energy: -38.921
bonds (distance) P-C4' energy: -35.686
flat angles C4'-P-C4' energy: -40.532
flat angles P-C4'-P energy: -25.399
tors. eta vs tors. theta energy: -49.145
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: 3
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -501.838265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.838265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.838265 (E_RNA)
where:
Base-Base interactions energy: -330.205
where: short stacking energy: -142.240
Base-Backbone interact. energy: -0.815
local terms energy: -170.818568
where:
bonds (distance) C4'-P energy: -34.615
bonds (distance) P-C4' energy: -27.309
flat angles C4'-P-C4' energy: -38.767
flat angles P-C4'-P energy: -22.960
tors. eta vs tors. theta energy: -47.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -527.907338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.907338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.907338 (E_RNA)
where:
Base-Base interactions energy: -342.182
where: short stacking energy: -174.626
Base-Backbone interact. energy: 0.298
local terms energy: -186.023711
where:
bonds (distance) C4'-P energy: -33.190
bonds (distance) P-C4' energy: -38.751
flat angles C4'-P-C4' energy: -40.243
flat angles P-C4'-P energy: -20.955
tors. eta vs tors. theta energy: -52.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -438.924118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.924118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.924118 (E_RNA)
where:
Base-Base interactions energy: -290.954
where: short stacking energy: -118.446
Base-Backbone interact. energy: 0.466
local terms energy: -148.436142
where:
bonds (distance) C4'-P energy: -34.646
bonds (distance) P-C4' energy: -35.805
flat angles C4'-P-C4' energy: -25.579
flat angles P-C4'-P energy: -24.230
tors. eta vs tors. theta energy: -28.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -201.903008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.903008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.903008 (E_RNA)
where:
Base-Base interactions energy: -88.007
where: short stacking energy: -59.547
Base-Backbone interact. energy: -0.470
local terms energy: -113.425874
where:
bonds (distance) C4'-P energy: -35.033
bonds (distance) P-C4' energy: -32.160
flat angles C4'-P-C4' energy: -34.282
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: 1.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -187.434235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.434235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.434235 (E_RNA)
where:
Base-Base interactions energy: -72.067
where: short stacking energy: -57.455
Base-Backbone interact. energy: -0.840
local terms energy: -114.527419
where:
bonds (distance) C4'-P energy: -32.569
bonds (distance) P-C4' energy: -26.904
flat angles C4'-P-C4' energy: -27.522
flat angles P-C4'-P energy: -22.032
tors. eta vs tors. theta energy: -5.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -165.172477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.172477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.172477 (E_RNA)
where:
Base-Base interactions energy: -52.225
where: short stacking energy: -38.399
Base-Backbone interact. energy: -0.386
local terms energy: -112.560702
where:
bonds (distance) C4'-P energy: -31.255
bonds (distance) P-C4' energy: -33.848
flat angles C4'-P-C4' energy: -34.865
flat angles P-C4'-P energy: -18.899
tors. eta vs tors. theta energy: 6.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -657.792336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.792336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.792336 (E_RNA)
where:
Base-Base interactions energy: -435.137
where: short stacking energy: -197.301
Base-Backbone interact. energy: -1.720
local terms energy: -220.935149
where:
bonds (distance) C4'-P energy: -32.565
bonds (distance) P-C4' energy: -47.164
flat angles C4'-P-C4' energy: -48.573
flat angles P-C4'-P energy: -31.837
tors. eta vs tors. theta energy: -60.795
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: 7
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -647.889534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.889534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.889534 (E_RNA)
where:
Base-Base interactions energy: -418.656
where: short stacking energy: -196.366
Base-Backbone interact. energy: -0.806
local terms energy: -228.427258
where:
bonds (distance) C4'-P energy: -42.210
bonds (distance) P-C4' energy: -42.256
flat angles C4'-P-C4' energy: -47.471
flat angles P-C4'-P energy: -34.303
tors. eta vs tors. theta energy: -62.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -590.512517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.512517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.512517 (E_RNA)
where:
Base-Base interactions energy: -382.861
where: short stacking energy: -169.820
Base-Backbone interact. energy: 0.631
local terms energy: -208.282483
where:
bonds (distance) C4'-P energy: -43.182
bonds (distance) P-C4' energy: -37.345
flat angles C4'-P-C4' energy: -42.592
flat angles P-C4'-P energy: -29.641
tors. eta vs tors. theta energy: -55.523
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: 1
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -574.196156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.196156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.196156 (E_RNA)
where:
Base-Base interactions energy: -381.989
where: short stacking energy: -167.674
Base-Backbone interact. energy: -1.843
local terms energy: -190.363998
where:
bonds (distance) C4'-P energy: -28.972
bonds (distance) P-C4' energy: -38.850
flat angles C4'-P-C4' energy: -47.271
flat angles P-C4'-P energy: -31.312
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: 4
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -535.991530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.991530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.991530 (E_RNA)
where:
Base-Base interactions energy: -338.287
where: short stacking energy: -161.248
Base-Backbone interact. energy: -0.728
local terms energy: -196.977194
where:
bonds (distance) C4'-P energy: -29.923
bonds (distance) P-C4' energy: -47.866
flat angles C4'-P-C4' energy: -41.460
flat angles P-C4'-P energy: -25.591
tors. eta vs tors. theta energy: -52.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -500.743824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.743824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.743824 (E_RNA)
where:
Base-Base interactions energy: -328.005
where: short stacking energy: -140.541
Base-Backbone interact. energy: -0.199
local terms energy: -172.540110
where:
bonds (distance) C4'-P energy: -39.196
bonds (distance) P-C4' energy: -35.032
flat angles C4'-P-C4' energy: -39.158
flat angles P-C4'-P energy: -19.007
tors. eta vs tors. theta energy: -40.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -449.634101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.634101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.634101 (E_RNA)
where:
Base-Base interactions energy: -280.025
where: short stacking energy: -138.626
Base-Backbone interact. energy: -1.079
local terms energy: -168.529555
where:
bonds (distance) C4'-P energy: -33.233
bonds (distance) P-C4' energy: -41.277
flat angles C4'-P-C4' energy: -35.587
flat angles P-C4'-P energy: -25.343
tors. eta vs tors. theta energy: -33.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -188.960833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.960833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.960833 (E_RNA)
where:
Base-Base interactions energy: -73.619
where: short stacking energy: -50.677
Base-Backbone interact. energy: -0.768
local terms energy: -114.574107
where:
bonds (distance) C4'-P energy: -27.226
bonds (distance) P-C4' energy: -40.578
flat angles C4'-P-C4' energy: -33.919
flat angles P-C4'-P energy: -18.827
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: 9, replica: 10
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -198.413639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.413639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.413639 (E_RNA)
where:
Base-Base interactions energy: -64.985
where: short stacking energy: -46.411
Base-Backbone interact. energy: -0.961
local terms energy: -132.467212
where:
bonds (distance) C4'-P energy: -33.595
bonds (distance) P-C4' energy: -35.556
flat angles C4'-P-C4' energy: -41.317
flat angles P-C4'-P energy: -15.751
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: 10, replica: 6
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -171.363683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.363683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.363683 (E_RNA)
where:
Base-Base interactions energy: -76.311
where: short stacking energy: -38.919
Base-Backbone interact. energy: -0.517
local terms energy: -94.535218
where:
bonds (distance) C4'-P energy: -26.485
bonds (distance) P-C4' energy: -34.453
flat angles C4'-P-C4' energy: -26.829
flat angles P-C4'-P energy: -16.012
tors. eta vs tors. theta energy: 9.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -656.270356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.270356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.270356 (E_RNA)
where:
Base-Base interactions energy: -441.684
where: short stacking energy: -201.912
Base-Backbone interact. energy: 0.333
local terms energy: -214.918610
where:
bonds (distance) C4'-P energy: -39.823
bonds (distance) P-C4' energy: -42.825
flat angles C4'-P-C4' energy: -39.628
flat angles P-C4'-P energy: -30.595
tors. eta vs tors. theta energy: -62.048
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: 2, replica: 7
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -629.010699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.010699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.010699 (E_RNA)
where:
Base-Base interactions energy: -420.625
where: short stacking energy: -189.051
Base-Backbone interact. energy: -0.711
local terms energy: -207.674045
where:
bonds (distance) C4'-P energy: -37.610
bonds (distance) P-C4' energy: -29.977
flat angles C4'-P-C4' energy: -44.409
flat angles P-C4'-P energy: -30.716
tors. eta vs tors. theta energy: -64.962
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: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -597.700476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.700476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.700476 (E_RNA)
where:
Base-Base interactions energy: -398.340
where: short stacking energy: -164.073
Base-Backbone interact. energy: -0.308
local terms energy: -199.052428
where:
bonds (distance) C4'-P energy: -36.622
bonds (distance) P-C4' energy: -33.317
flat angles C4'-P-C4' energy: -41.961
flat angles P-C4'-P energy: -32.300
tors. eta vs tors. theta energy: -54.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -599.927703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.927703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.927703 (E_RNA)
where:
Base-Base interactions energy: -413.182
where: short stacking energy: -165.849
Base-Backbone interact. energy: -0.711
local terms energy: -186.034912
where:
bonds (distance) C4'-P energy: -35.473
bonds (distance) P-C4' energy: -40.335
flat angles C4'-P-C4' energy: -37.735
flat angles P-C4'-P energy: -20.686
tors. eta vs tors. theta energy: -51.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -531.279611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.279611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.279611 (E_RNA)
where:
Base-Base interactions energy: -338.256
where: short stacking energy: -174.959
Base-Backbone interact. energy: -0.635
local terms energy: -192.388857
where:
bonds (distance) C4'-P energy: -34.788
bonds (distance) P-C4' energy: -38.547
flat angles C4'-P-C4' energy: -41.606
flat angles P-C4'-P energy: -25.862
tors. eta vs tors. theta energy: -51.587
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: 3
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -508.864814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.864814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.864814 (E_RNA)
where:
Base-Base interactions energy: -338.688
where: short stacking energy: -137.472
Base-Backbone interact. energy: -1.020
local terms energy: -169.156196
where:
bonds (distance) C4'-P energy: -32.744
bonds (distance) P-C4' energy: -39.885
flat angles C4'-P-C4' energy: -37.759
flat angles P-C4'-P energy: -19.584
tors. eta vs tors. theta energy: -39.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -438.864190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.864190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.864190 (E_RNA)
where:
Base-Base interactions energy: -283.517
where: short stacking energy: -122.236
Base-Backbone interact. energy: -0.881
local terms energy: -154.466289
where:
bonds (distance) C4'-P energy: -31.379
bonds (distance) P-C4' energy: -37.197
flat angles C4'-P-C4' energy: -32.682
flat angles P-C4'-P energy: -26.969
tors. eta vs tors. theta energy: -26.238
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: 10
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -181.263451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.263451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.263451 (E_RNA)
where:
Base-Base interactions energy: -79.340
where: short stacking energy: -64.130
Base-Backbone interact. energy: 1.623
local terms energy: -103.546396
where:
bonds (distance) C4'-P energy: -31.554
bonds (distance) P-C4' energy: -35.909
flat angles C4'-P-C4' energy: -28.432
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: 2.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -199.489028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.489028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.489028 (E_RNA)
where:
Base-Base interactions energy: -85.107
where: short stacking energy: -57.351
Base-Backbone interact. energy: 1.943
local terms energy: -116.325079
where:
bonds (distance) C4'-P energy: -31.474
bonds (distance) P-C4' energy: -40.913
flat angles C4'-P-C4' energy: -26.502
flat angles P-C4'-P energy: -15.693
tors. eta vs tors. theta energy: -1.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -168.147785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.147785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.147785 (E_RNA)
where:
Base-Base interactions energy: -46.671
where: short stacking energy: -41.442
Base-Backbone interact. energy: -0.607
local terms energy: -120.870095
where:
bonds (distance) C4'-P energy: -30.845
bonds (distance) P-C4' energy: -38.519
flat angles C4'-P-C4' energy: -26.844
flat angles P-C4'-P energy: -21.107
tors. eta vs tors. theta energy: -3.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -652.084292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.084292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.084292 (E_RNA)
where:
Base-Base interactions energy: -439.543
where: short stacking energy: -196.974
Base-Backbone interact. energy: 0.926
local terms energy: -213.467357
where:
bonds (distance) C4'-P energy: -34.632
bonds (distance) P-C4' energy: -37.859
flat angles C4'-P-C4' energy: -47.204
flat angles P-C4'-P energy: -31.967
tors. eta vs tors. theta energy: -61.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -634.676676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.676676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.676676 (E_RNA)
where:
Base-Base interactions energy: -426.547
where: short stacking energy: -197.862
Base-Backbone interact. energy: 0.651
local terms energy: -208.780949
where:
bonds (distance) C4'-P energy: -40.955
bonds (distance) P-C4' energy: -35.439
flat angles C4'-P-C4' energy: -38.992
flat angles P-C4'-P energy: -31.912
tors. eta vs tors. theta energy: -61.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -581.607332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.607332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.607332 (E_RNA)
where:
Base-Base interactions energy: -382.334
where: short stacking energy: -162.872
Base-Backbone interact. energy: -1.932
local terms energy: -197.341162
where:
bonds (distance) C4'-P energy: -38.649
bonds (distance) P-C4' energy: -40.948
flat angles C4'-P-C4' energy: -38.440
flat angles P-C4'-P energy: -34.000
tors. eta vs tors. theta energy: -45.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -591.916436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.916436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.916436 (E_RNA)
where:
Base-Base interactions energy: -390.073
where: short stacking energy: -171.028
Base-Backbone interact. energy: -0.096
local terms energy: -201.747493
where:
bonds (distance) C4'-P energy: -31.362
bonds (distance) P-C4' energy: -34.584
flat angles C4'-P-C4' energy: -46.569
flat angles P-C4'-P energy: -34.514
tors. eta vs tors. theta energy: -54.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -541.702987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.702987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.702987 (E_RNA)
where:
Base-Base interactions energy: -344.574
where: short stacking energy: -172.945
Base-Backbone interact. energy: 0.496
local terms energy: -197.625789
where:
bonds (distance) C4'-P energy: -31.224
bonds (distance) P-C4' energy: -41.618
flat angles C4'-P-C4' energy: -38.891
flat angles P-C4'-P energy: -30.367
tors. eta vs tors. theta energy: -55.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -498.324652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.324652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.324652 (E_RNA)
where:
Base-Base interactions energy: -319.758
where: short stacking energy: -138.489
Base-Backbone interact. energy: 3.699
local terms energy: -182.266263
where:
bonds (distance) C4'-P energy: -34.998
bonds (distance) P-C4' energy: -35.383
flat angles C4'-P-C4' energy: -42.164
flat angles P-C4'-P energy: -26.028
tors. eta vs tors. theta energy: -43.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -457.870994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.870994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.870994 (E_RNA)
where:
Base-Base interactions energy: -281.551
where: short stacking energy: -143.605
Base-Backbone interact. energy: -0.932
local terms energy: -175.388707
where:
bonds (distance) C4'-P energy: -25.096
bonds (distance) P-C4' energy: -41.814
flat angles C4'-P-C4' energy: -39.884
flat angles P-C4'-P energy: -20.888
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: 8, replica: 10
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -208.251389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.251389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.251389 (E_RNA)
where:
Base-Base interactions energy: -94.616
where: short stacking energy: -52.630
Base-Backbone interact. energy: 0.211
local terms energy: -113.846120
where:
bonds (distance) C4'-P energy: -33.481
bonds (distance) P-C4' energy: -33.578
flat angles C4'-P-C4' energy: -29.568
flat angles P-C4'-P energy: -18.247
tors. eta vs tors. theta energy: 1.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -180.262834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.262834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.262834 (E_RNA)
where:
Base-Base interactions energy: -73.478
where: short stacking energy: -47.868
Base-Backbone interact. energy: -0.729
local terms energy: -106.055442
where:
bonds (distance) C4'-P energy: -32.767
bonds (distance) P-C4' energy: -34.507
flat angles C4'-P-C4' energy: -32.565
flat angles P-C4'-P energy: -16.647
tors. eta vs tors. theta energy: 10.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -167.752371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.752371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.752371 (E_RNA)
where:
Base-Base interactions energy: -53.410
where: short stacking energy: -39.054
Base-Backbone interact. energy: -0.845
local terms energy: -113.497381
where:
bonds (distance) C4'-P energy: -29.197
bonds (distance) P-C4' energy: -34.562
flat angles C4'-P-C4' energy: -30.622
flat angles P-C4'-P energy: -18.360
tors. eta vs tors. theta energy: -0.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -638.403542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.403542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.403542 (E_RNA)
where:
Base-Base interactions energy: -413.051
where: short stacking energy: -181.961
Base-Backbone interact. energy: -0.211
local terms energy: -225.141656
where:
bonds (distance) C4'-P energy: -39.587
bonds (distance) P-C4' energy: -47.253
flat angles C4'-P-C4' energy: -47.800
flat angles P-C4'-P energy: -33.786
tors. eta vs tors. theta energy: -56.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -638.126666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.126666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.126666 (E_RNA)
where:
Base-Base interactions energy: -427.258
where: short stacking energy: -187.340
Base-Backbone interact. energy: 0.645
local terms energy: -211.513427
where:
bonds (distance) C4'-P energy: -39.103
bonds (distance) P-C4' energy: -35.622
flat angles C4'-P-C4' energy: -44.250
flat angles P-C4'-P energy: -29.662
tors. eta vs tors. theta energy: -62.877
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: 1
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -608.738551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.738551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.738551 (E_RNA)
where:
Base-Base interactions energy: -394.777
where: short stacking energy: -182.242
Base-Backbone interact. energy: 0.033
local terms energy: -213.994984
where:
bonds (distance) C4'-P energy: -39.335
bonds (distance) P-C4' energy: -42.308
flat angles C4'-P-C4' energy: -48.971
flat angles P-C4'-P energy: -29.612
tors. eta vs tors. theta energy: -53.769
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: 4, replica: 4
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -564.801222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.801222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.801222 (E_RNA)
where:
Base-Base interactions energy: -354.980
where: short stacking energy: -173.319
Base-Backbone interact. energy: -0.384
local terms energy: -209.437070
where:
bonds (distance) C4'-P energy: -36.884
bonds (distance) P-C4' energy: -37.363
flat angles C4'-P-C4' energy: -48.019
flat angles P-C4'-P energy: -27.718
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: 5, replica: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -565.149351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.149351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.149351 (E_RNA)
where:
Base-Base interactions energy: -367.507
where: short stacking energy: -170.715
Base-Backbone interact. energy: -0.622
local terms energy: -197.020003
where:
bonds (distance) C4'-P energy: -36.651
bonds (distance) P-C4' energy: -33.092
flat angles C4'-P-C4' energy: -42.868
flat angles P-C4'-P energy: -27.437
tors. eta vs tors. theta energy: -56.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -498.491426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.491426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.491426 (E_RNA)
where:
Base-Base interactions energy: -325.620
where: short stacking energy: -139.357
Base-Backbone interact. energy: -2.236
local terms energy: -170.635033
where:
bonds (distance) C4'-P energy: -29.059
bonds (distance) P-C4' energy: -40.561
flat angles C4'-P-C4' energy: -31.350
flat angles P-C4'-P energy: -30.660
tors. eta vs tors. theta energy: -39.005
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: 9
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -451.217041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.217041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.217041 (E_RNA)
where:
Base-Base interactions energy: -283.383
where: short stacking energy: -141.399
Base-Backbone interact. energy: -0.300
local terms energy: -167.534080
where:
bonds (distance) C4'-P energy: -38.010
bonds (distance) P-C4' energy: -34.720
flat angles C4'-P-C4' energy: -43.187
flat angles P-C4'-P energy: -17.187
tors. eta vs tors. theta energy: -34.431
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: 8
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -191.607048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.607048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.607048 (E_RNA)
where:
Base-Base interactions energy: -71.861
where: short stacking energy: -52.518
Base-Backbone interact. energy: 1.481
local terms energy: -121.227122
where:
bonds (distance) C4'-P energy: -33.104
bonds (distance) P-C4' energy: -34.783
flat angles C4'-P-C4' energy: -28.706
flat angles P-C4'-P energy: -25.959
tors. eta vs tors. theta energy: 1.325
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: 9, replica: 10
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -195.758914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.758914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.758914 (E_RNA)
where:
Base-Base interactions energy: -70.664
where: short stacking energy: -66.620
Base-Backbone interact. energy: -0.537
local terms energy: -124.558547
where:
bonds (distance) C4'-P energy: -31.700
bonds (distance) P-C4' energy: -31.654
flat angles C4'-P-C4' energy: -33.871
flat angles P-C4'-P energy: -19.114
tors. eta vs tors. theta energy: -8.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -177.495198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.495198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.495198 (E_RNA)
where:
Base-Base interactions energy: -63.170
where: short stacking energy: -60.135
Base-Backbone interact. energy: -1.117
local terms energy: -113.208242
where:
bonds (distance) C4'-P energy: -34.707
bonds (distance) P-C4' energy: -31.913
flat angles C4'-P-C4' energy: -29.080
flat angles P-C4'-P energy: -17.568
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: 1, replica: 5
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -650.245294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.245294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.245294 (E_RNA)
where:
Base-Base interactions energy: -435.237
where: short stacking energy: -190.453
Base-Backbone interact. energy: -0.333
local terms energy: -214.675117
where:
bonds (distance) C4'-P energy: -35.819
bonds (distance) P-C4' energy: -40.638
flat angles C4'-P-C4' energy: -47.310
flat angles P-C4'-P energy: -31.394
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: 2, replica: 7
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -634.424605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.424605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.424605 (E_RNA)
where:
Base-Base interactions energy: -412.020
where: short stacking energy: -191.184
Base-Backbone interact. energy: -0.984
local terms energy: -221.421108
where:
bonds (distance) C4'-P energy: -39.890
bonds (distance) P-C4' energy: -41.296
flat angles C4'-P-C4' energy: -43.635
flat angles P-C4'-P energy: -35.580
tors. eta vs tors. theta energy: -61.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -565.681482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.681482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.681482 (E_RNA)
where:
Base-Base interactions energy: -364.188
where: short stacking energy: -195.587
Base-Backbone interact. energy: -0.181
local terms energy: -201.312139
where:
bonds (distance) C4'-P energy: -38.917
bonds (distance) P-C4' energy: -39.037
flat angles C4'-P-C4' energy: -41.344
flat angles P-C4'-P energy: -20.308
tors. eta vs tors. theta energy: -61.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -580.939969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.939969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.939969 (E_RNA)
where:
Base-Base interactions energy: -390.397
where: short stacking energy: -174.820
Base-Backbone interact. energy: 0.273
local terms energy: -190.815977
where:
bonds (distance) C4'-P energy: -38.124
bonds (distance) P-C4' energy: -37.069
flat angles C4'-P-C4' energy: -42.934
flat angles P-C4'-P energy: -26.959
tors. eta vs tors. theta energy: -45.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -564.364409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.364409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.364409 (E_RNA)
where:
Base-Base interactions energy: -374.138
where: short stacking energy: -160.738
Base-Backbone interact. energy: -0.117
local terms energy: -190.109297
where:
bonds (distance) C4'-P energy: -38.931
bonds (distance) P-C4' energy: -31.550
flat angles C4'-P-C4' energy: -41.508
flat angles P-C4'-P energy: -23.339
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: 6, replica: 3
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -488.548131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.548131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.548131 (E_RNA)
where:
Base-Base interactions energy: -311.136
where: short stacking energy: -135.064
Base-Backbone interact. energy: -0.073
local terms energy: -177.339557
where:
bonds (distance) C4'-P energy: -40.537
bonds (distance) P-C4' energy: -34.702
flat angles C4'-P-C4' energy: -33.977
flat angles P-C4'-P energy: -26.101
tors. eta vs tors. theta energy: -42.023
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: 9
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -430.687807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.687807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.687807 (E_RNA)
where:
Base-Base interactions energy: -255.734
where: short stacking energy: -114.165
Base-Backbone interact. energy: -0.527
local terms energy: -174.426847
where:
bonds (distance) C4'-P energy: -33.487
bonds (distance) P-C4' energy: -43.577
flat angles C4'-P-C4' energy: -33.934
flat angles P-C4'-P energy: -25.301
tors. eta vs tors. theta energy: -38.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -219.946558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.946558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.946558 (E_RNA)
where:
Base-Base interactions energy: -101.490
where: short stacking energy: -67.973
Base-Backbone interact. energy: -0.480
local terms energy: -117.976153
where:
bonds (distance) C4'-P energy: -38.931
bonds (distance) P-C4' energy: -31.869
flat angles C4'-P-C4' energy: -28.253
flat angles P-C4'-P energy: -20.888
tors. eta vs tors. theta energy: 1.967
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: 6
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -181.580605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.580605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.580605 (E_RNA)
where:
Base-Base interactions energy: -63.975
where: short stacking energy: -52.809
Base-Backbone interact. energy: -0.403
local terms energy: -117.203035
where:
bonds (distance) C4'-P energy: -33.833
bonds (distance) P-C4' energy: -33.485
flat angles C4'-P-C4' energy: -24.825
flat angles P-C4'-P energy: -15.056
tors. eta vs tors. theta energy: -10.004
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: 10
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -177.808050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.808050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.808050 (E_RNA)
where:
Base-Base interactions energy: -56.610
where: short stacking energy: -56.610
Base-Backbone interact. energy: -0.768
local terms energy: -120.429571
where:
bonds (distance) C4'-P energy: -33.357
bonds (distance) P-C4' energy: -34.736
flat angles C4'-P-C4' energy: -30.109
flat angles P-C4'-P energy: -20.188
tors. eta vs tors. theta energy: -2.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -649.188121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.188121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.188121 (E_RNA)
where:
Base-Base interactions energy: -434.964
where: short stacking energy: -190.469
Base-Backbone interact. energy: -0.441
local terms energy: -213.783667
where:
bonds (distance) C4'-P energy: -37.997
bonds (distance) P-C4' energy: -43.813
flat angles C4'-P-C4' energy: -45.298
flat angles P-C4'-P energy: -29.426
tors. eta vs tors. theta energy: -57.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -629.416239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.416239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.416239 (E_RNA)
where:
Base-Base interactions energy: -407.911
where: short stacking energy: -195.651
Base-Backbone interact. energy: -0.953
local terms energy: -220.551935
where:
bonds (distance) C4'-P energy: -35.612
bonds (distance) P-C4' energy: -43.984
flat angles C4'-P-C4' energy: -45.440
flat angles P-C4'-P energy: -32.682
tors. eta vs tors. theta energy: -62.833
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: 3, replica: 4
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -579.018526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.018526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.018526 (E_RNA)
where:
Base-Base interactions energy: -372.230
where: short stacking energy: -185.267
Base-Backbone interact. energy: -0.376
local terms energy: -206.412533
where:
bonds (distance) C4'-P energy: -41.833
bonds (distance) P-C4' energy: -40.125
flat angles C4'-P-C4' energy: -37.973
flat angles P-C4'-P energy: -31.284
tors. eta vs tors. theta energy: -55.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -548.241764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.241764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.241764 (E_RNA)
where:
Base-Base interactions energy: -379.412
where: short stacking energy: -169.081
Base-Backbone interact. energy: -0.770
local terms energy: -168.060394
where:
bonds (distance) C4'-P energy: -34.814
bonds (distance) P-C4' energy: -28.977
flat angles C4'-P-C4' energy: -38.479
flat angles P-C4'-P energy: -16.947
tors. eta vs tors. theta energy: -48.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -557.172312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.172312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.172312 (E_RNA)
where:
Base-Base interactions energy: -379.772
where: short stacking energy: -161.124
Base-Backbone interact. energy: -1.464
local terms energy: -175.937086
where:
bonds (distance) C4'-P energy: -25.084
bonds (distance) P-C4' energy: -33.198
flat angles C4'-P-C4' energy: -38.669
flat angles P-C4'-P energy: -34.485
tors. eta vs tors. theta energy: -44.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -505.107517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.107517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.107517 (E_RNA)
where:
Base-Base interactions energy: -322.366
where: short stacking energy: -135.650
Base-Backbone interact. energy: -0.500
local terms energy: -182.241649
where:
bonds (distance) C4'-P energy: -35.957
bonds (distance) P-C4' energy: -40.987
flat angles C4'-P-C4' energy: -37.424
flat angles P-C4'-P energy: -26.983
tors. eta vs tors. theta energy: -40.891
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: 9
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -436.198202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.198202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.198202 (E_RNA)
where:
Base-Base interactions energy: -270.707
where: short stacking energy: -126.173
Base-Backbone interact. energy: -0.292
local terms energy: -165.198726
where:
bonds (distance) C4'-P energy: -39.529
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -44.341
flat angles P-C4'-P energy: -14.795
tors. eta vs tors. theta energy: -36.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -194.119654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.119654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.119654 (E_RNA)
where:
Base-Base interactions energy: -73.293
where: short stacking energy: -63.181
Base-Backbone interact. energy: 0.041
local terms energy: -120.867224
where:
bonds (distance) C4'-P energy: -36.896
bonds (distance) P-C4' energy: -32.371
flat angles C4'-P-C4' energy: -33.082
flat angles P-C4'-P energy: -16.154
tors. eta vs tors. theta energy: -2.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -173.463467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.463467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.463467 (E_RNA)
where:
Base-Base interactions energy: -65.499
where: short stacking energy: -36.861
Base-Backbone interact. energy: -0.457
local terms energy: -107.507808
where:
bonds (distance) C4'-P energy: -33.611
bonds (distance) P-C4' energy: -42.679
flat angles C4'-P-C4' energy: -19.147
flat angles P-C4'-P energy: -17.498
tors. eta vs tors. theta energy: 5.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -191.623104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.623104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.623104 (E_RNA)
where:
Base-Base interactions energy: -82.289
where: short stacking energy: -68.361
Base-Backbone interact. energy: -1.291
local terms energy: -108.043140
where:
bonds (distance) C4'-P energy: -33.554
bonds (distance) P-C4' energy: -39.827
flat angles C4'-P-C4' energy: -27.104
flat angles P-C4'-P energy: -0.688
tors. eta vs tors. theta energy: -6.870
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: 7
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -646.199672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.199672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.199672 (E_RNA)
where:
Base-Base interactions energy: -429.622
where: short stacking energy: -193.367
Base-Backbone interact. energy: -0.925
local terms energy: -215.652153
where:
bonds (distance) C4'-P energy: -38.511
bonds (distance) P-C4' energy: -40.830
flat angles C4'-P-C4' energy: -46.303
flat angles P-C4'-P energy: -30.170
tors. eta vs tors. theta energy: -59.839
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: 5
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -634.269643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.269643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.269643 (E_RNA)
where:
Base-Base interactions energy: -424.076
where: short stacking energy: -191.895
Base-Backbone interact. energy: -0.641
local terms energy: -209.552599
where:
bonds (distance) C4'-P energy: -40.744
bonds (distance) P-C4' energy: -34.953
flat angles C4'-P-C4' energy: -47.621
flat angles P-C4'-P energy: -25.210
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: 3, replica: 4
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -580.229108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.229108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.229108 (E_RNA)
where:
Base-Base interactions energy: -367.291
where: short stacking energy: -180.231
Base-Backbone interact. energy: -1.452
local terms energy: -211.486905
where:
bonds (distance) C4'-P energy: -40.219
bonds (distance) P-C4' energy: -32.926
flat angles C4'-P-C4' energy: -47.425
flat angles P-C4'-P energy: -30.832
tors. eta vs tors. theta energy: -60.085
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: 2
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -561.351109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.351109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.351109 (E_RNA)
where:
Base-Base interactions energy: -366.367
where: short stacking energy: -147.808
Base-Backbone interact. energy: -0.416
local terms energy: -194.567867
where:
bonds (distance) C4'-P energy: -37.204
bonds (distance) P-C4' energy: -39.081
flat angles C4'-P-C4' energy: -42.756
flat angles P-C4'-P energy: -28.509
tors. eta vs tors. theta energy: -47.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -582.873196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.873196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.873196 (E_RNA)
where:
Base-Base interactions energy: -388.097
where: short stacking energy: -174.215
Base-Backbone interact. energy: -1.587
local terms energy: -193.188756
where:
bonds (distance) C4'-P energy: -35.662
bonds (distance) P-C4' energy: -38.280
flat angles C4'-P-C4' energy: -41.781
flat angles P-C4'-P energy: -25.122
tors. eta vs tors. theta energy: -52.344
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: 3
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -499.322789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.322789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.322789 (E_RNA)
where:
Base-Base interactions energy: -311.526
where: short stacking energy: -137.518
Base-Backbone interact. energy: -1.124
local terms energy: -186.672704
where:
bonds (distance) C4'-P energy: -34.869
bonds (distance) P-C4' energy: -47.330
flat angles C4'-P-C4' energy: -37.246
flat angles P-C4'-P energy: -25.231
tors. eta vs tors. theta energy: -41.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -455.595736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.595736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.595736 (E_RNA)
where:
Base-Base interactions energy: -277.111
where: short stacking energy: -128.325
Base-Backbone interact. energy: -0.695
local terms energy: -177.789553
where:
bonds (distance) C4'-P energy: -37.491
bonds (distance) P-C4' energy: -36.048
flat angles C4'-P-C4' energy: -37.154
flat angles P-C4'-P energy: -27.666
tors. eta vs tors. theta energy: -39.430
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: 176
Temperature: 1.250000
Total energy: -202.722210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.722210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.722210 (E_RNA)
where:
Base-Base interactions energy: -77.826
where: short stacking energy: -55.768
Base-Backbone interact. energy: 0.563
local terms energy: -125.460066
where:
bonds (distance) C4'-P energy: -32.793
bonds (distance) P-C4' energy: -36.941
flat angles C4'-P-C4' energy: -35.859
flat angles P-C4'-P energy: -19.592
tors. eta vs tors. theta energy: -0.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -182.716407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.716407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.716407 (E_RNA)
where:
Base-Base interactions energy: -59.637
where: short stacking energy: -56.019
Base-Backbone interact. energy: -1.448
local terms energy: -121.631800
where:
bonds (distance) C4'-P energy: -31.809
bonds (distance) P-C4' energy: -40.264
flat angles C4'-P-C4' energy: -31.931
flat angles P-C4'-P energy: -21.644
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: 10, replica: 10
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -179.122064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.122064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.122064 (E_RNA)
where:
Base-Base interactions energy: -82.036
where: short stacking energy: -48.277
Base-Backbone interact. energy: -1.086
local terms energy: -95.999723
where:
bonds (distance) C4'-P energy: -24.607
bonds (distance) P-C4' energy: -35.867
flat angles C4'-P-C4' energy: -24.859
flat angles P-C4'-P energy: -20.946
tors. eta vs tors. theta energy: 10.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -655.720063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.720063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.720063 (E_RNA)
where:
Base-Base interactions energy: -430.090
where: short stacking energy: -198.977
Base-Backbone interact. energy: -0.081
local terms energy: -225.549246
where:
bonds (distance) C4'-P energy: -40.235
bonds (distance) P-C4' energy: -44.526
flat angles C4'-P-C4' energy: -45.432
flat angles P-C4'-P energy: -34.418
tors. eta vs tors. theta energy: -60.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -641.050763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.050763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.050763 (E_RNA)
where:
Base-Base interactions energy: -442.578
where: short stacking energy: -181.418
Base-Backbone interact. energy: -2.255
local terms energy: -196.217295
where:
bonds (distance) C4'-P energy: -27.833
bonds (distance) P-C4' energy: -43.033
flat angles C4'-P-C4' energy: -42.099
flat angles P-C4'-P energy: -28.684
tors. eta vs tors. theta energy: -54.568
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: 177
Temperature: 1.000000
Total energy: -576.992261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.992261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.992261 (E_RNA)
where:
Base-Base interactions energy: -388.010
where: short stacking energy: -171.991
Base-Backbone interact. energy: -0.074
local terms energy: -188.909155
where:
bonds (distance) C4'-P energy: -32.436
bonds (distance) P-C4' energy: -28.716
flat angles C4'-P-C4' energy: -40.272
flat angles P-C4'-P energy: -29.870
tors. eta vs tors. theta energy: -57.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -563.080163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.080163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.080163 (E_RNA)
where:
Base-Base interactions energy: -374.117
where: short stacking energy: -169.238
Base-Backbone interact. energy: -0.189
local terms energy: -188.774767
where:
bonds (distance) C4'-P energy: -39.936
bonds (distance) P-C4' energy: -34.478
flat angles C4'-P-C4' energy: -43.974
flat angles P-C4'-P energy: -24.766
tors. eta vs tors. theta energy: -45.620
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: 2
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -512.159245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.159245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.159245 (E_RNA)
where:
Base-Base interactions energy: -335.950
where: short stacking energy: -158.630
Base-Backbone interact. energy: -0.325
local terms energy: -175.885032
where:
bonds (distance) C4'-P energy: -37.666
bonds (distance) P-C4' energy: -34.883
flat angles C4'-P-C4' energy: -33.262
flat angles P-C4'-P energy: -26.256
tors. eta vs tors. theta energy: -43.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -474.849890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.849890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.849890 (E_RNA)
where:
Base-Base interactions energy: -293.781
where: short stacking energy: -143.113
Base-Backbone interact. energy: -0.454
local terms energy: -180.614649
where:
bonds (distance) C4'-P energy: -39.018
bonds (distance) P-C4' energy: -36.320
flat angles C4'-P-C4' energy: -42.932
flat angles P-C4'-P energy: -27.104
tors. eta vs tors. theta energy: -35.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -459.293630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.293630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.293630 (E_RNA)
where:
Base-Base interactions energy: -276.104
where: short stacking energy: -135.190
Base-Backbone interact. energy: -0.572
local terms energy: -182.617181
where:
bonds (distance) C4'-P energy: -38.231
bonds (distance) P-C4' energy: -40.930
flat angles C4'-P-C4' energy: -33.800
flat angles P-C4'-P energy: -28.510
tors. eta vs tors. theta energy: -41.146
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: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -225.690190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.690190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.690190 (E_RNA)
where:
Base-Base interactions energy: -84.833
where: short stacking energy: -80.570
Base-Backbone interact. energy: -0.329
local terms energy: -140.528627
where:
bonds (distance) C4'-P energy: -37.431
bonds (distance) P-C4' energy: -39.497
flat angles C4'-P-C4' energy: -38.339
flat angles P-C4'-P energy: -22.974
tors. eta vs tors. theta energy: -2.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -176.370221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.370221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.370221 (E_RNA)
where:
Base-Base interactions energy: -61.587
where: short stacking energy: -49.117
Base-Backbone interact. energy: -1.633
local terms energy: -113.150260
where:
bonds (distance) C4'-P energy: -26.390
bonds (distance) P-C4' energy: -36.863
flat angles C4'-P-C4' energy: -33.822
flat angles P-C4'-P energy: -19.984
tors. eta vs tors. theta energy: 3.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -179.396298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.396298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.396298 (E_RNA)
where:
Base-Base interactions energy: -68.158
where: short stacking energy: -58.394
Base-Backbone interact. energy: -2.070
local terms energy: -109.168557
where:
bonds (distance) C4'-P energy: -27.615
bonds (distance) P-C4' energy: -33.693
flat angles C4'-P-C4' energy: -35.071
flat angles P-C4'-P energy: -18.723
tors. eta vs tors. theta energy: 5.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -643.949353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.949353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.949353 (E_RNA)
where:
Base-Base interactions energy: -424.777
where: short stacking energy: -192.255
Base-Backbone interact. energy: -0.614
local terms energy: -218.558241
where:
bonds (distance) C4'-P energy: -39.152
bonds (distance) P-C4' energy: -40.964
flat angles C4'-P-C4' energy: -45.237
flat angles P-C4'-P energy: -32.510
tors. eta vs tors. theta energy: -60.695
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: 2, replica: 5
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -633.713753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.713753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.713753 (E_RNA)
where:
Base-Base interactions energy: -424.747
where: short stacking energy: -195.293
Base-Backbone interact. energy: -0.670
local terms energy: -208.296806
where:
bonds (distance) C4'-P energy: -34.274
bonds (distance) P-C4' energy: -39.151
flat angles C4'-P-C4' energy: -46.916
flat angles P-C4'-P energy: -28.114
tors. eta vs tors. theta energy: -59.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -584.404023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.404023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.404023 (E_RNA)
where:
Base-Base interactions energy: -371.022
where: short stacking energy: -175.103
Base-Backbone interact. energy: -0.632
local terms energy: -212.749587
where:
bonds (distance) C4'-P energy: -41.351
bonds (distance) P-C4' energy: -45.763
flat angles C4'-P-C4' energy: -40.053
flat angles P-C4'-P energy: -27.281
tors. eta vs tors. theta energy: -58.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -582.376704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.376704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.376704 (E_RNA)
where:
Base-Base interactions energy: -387.396
where: short stacking energy: -173.581
Base-Backbone interact. energy: 0.847
local terms energy: -195.827964
where:
bonds (distance) C4'-P energy: -34.085
bonds (distance) P-C4' energy: -45.913
flat angles C4'-P-C4' energy: -37.541
flat angles P-C4'-P energy: -24.131
tors. eta vs tors. theta energy: -54.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -498.873017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.873017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.873017 (E_RNA)
where:
Base-Base interactions energy: -324.554
where: short stacking energy: -140.548
Base-Backbone interact. energy: 0.110
local terms energy: -174.428938
where:
bonds (distance) C4'-P energy: -35.171
bonds (distance) P-C4' energy: -36.046
flat angles C4'-P-C4' energy: -38.531
flat angles P-C4'-P energy: -24.225
tors. eta vs tors. theta energy: -40.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -477.477951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.477951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.477951 (E_RNA)
where:
Base-Base interactions energy: -298.510
where: short stacking energy: -136.847
Base-Backbone interact. energy: -0.574
local terms energy: -178.393614
where:
bonds (distance) C4'-P energy: -38.190
bonds (distance) P-C4' energy: -39.923
flat angles C4'-P-C4' energy: -39.908
flat angles P-C4'-P energy: -21.165
tors. eta vs tors. theta energy: -39.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -431.153314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.153314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.153314 (E_RNA)
where:
Base-Base interactions energy: -259.966
where: short stacking energy: -123.379
Base-Backbone interact. energy: 0.403
local terms energy: -171.590178
where:
bonds (distance) C4'-P energy: -41.854
bonds (distance) P-C4' energy: -33.151
flat angles C4'-P-C4' energy: -35.254
flat angles P-C4'-P energy: -27.756
tors. eta vs tors. theta energy: -33.575
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: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -240.360489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.360489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.360489 (E_RNA)
where:
Base-Base interactions energy: -113.331
where: short stacking energy: -67.767
Base-Backbone interact. energy: 2.996
local terms energy: -130.025710
where:
bonds (distance) C4'-P energy: -34.475
bonds (distance) P-C4' energy: -30.299
flat angles C4'-P-C4' energy: -32.975
flat angles P-C4'-P energy: -20.254
tors. eta vs tors. theta energy: -12.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -195.928942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.928942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.928942 (E_RNA)
where:
Base-Base interactions energy: -74.780
where: short stacking energy: -43.481
Base-Backbone interact. energy: -0.978
local terms energy: -120.170863
where:
bonds (distance) C4'-P energy: -37.901
bonds (distance) P-C4' energy: -40.555
flat angles C4'-P-C4' energy: -28.946
flat angles P-C4'-P energy: -18.531
tors. eta vs tors. theta energy: 5.761
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: 178
Temperature: 1.350000
Total energy: -159.046297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.046297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.046297 (E_RNA)
where:
Base-Base interactions energy: -61.307
where: short stacking energy: -42.475
Base-Backbone interact. energy: -0.472
local terms energy: -97.267112
where:
bonds (distance) C4'-P energy: -39.693
bonds (distance) P-C4' energy: -36.129
flat angles C4'-P-C4' energy: -32.530
flat angles P-C4'-P energy: 2.667
tors. eta vs tors. theta energy: 8.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -668.142555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.142555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.142555 (E_RNA)
where:
Base-Base interactions energy: -436.721
where: short stacking energy: -210.689
Base-Backbone interact. energy: 1.207
local terms energy: -232.627969
where:
bonds (distance) C4'-P energy: -45.656
bonds (distance) P-C4' energy: -43.526
flat angles C4'-P-C4' energy: -47.265
flat angles P-C4'-P energy: -31.728
tors. eta vs tors. theta energy: -64.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -639.467671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.467671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.467671 (E_RNA)
where:
Base-Base interactions energy: -429.190
where: short stacking energy: -182.951
Base-Backbone interact. energy: -0.274
local terms energy: -210.004006
where:
bonds (distance) C4'-P energy: -35.280
bonds (distance) P-C4' energy: -39.461
flat angles C4'-P-C4' energy: -47.847
flat angles P-C4'-P energy: -28.465
tors. eta vs tors. theta energy: -58.952
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: 179
Temperature: 1.000000
Total energy: -577.778259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.778259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.778259 (E_RNA)
where:
Base-Base interactions energy: -357.917
where: short stacking energy: -183.083
Base-Backbone interact. energy: -0.094
local terms energy: -219.767025
where:
bonds (distance) C4'-P energy: -39.008
bonds (distance) P-C4' energy: -41.407
flat angles C4'-P-C4' energy: -47.469
flat angles P-C4'-P energy: -32.234
tors. eta vs tors. theta energy: -59.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -579.578831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.578831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.578831 (E_RNA)
where:
Base-Base interactions energy: -397.200
where: short stacking energy: -167.991
Base-Backbone interact. energy: 5.192
local terms energy: -187.571528
where:
bonds (distance) C4'-P energy: -36.472
bonds (distance) P-C4' energy: -39.329
flat angles C4'-P-C4' energy: -37.863
flat angles P-C4'-P energy: -26.734
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: 5, replica: 3
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -497.459784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.459784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.459784 (E_RNA)
where:
Base-Base interactions energy: -333.365
where: short stacking energy: -140.604
Base-Backbone interact. energy: 0.777
local terms energy: -164.871480
where:
bonds (distance) C4'-P energy: -28.978
bonds (distance) P-C4' energy: -25.689
flat angles C4'-P-C4' energy: -42.220
flat angles P-C4'-P energy: -25.330
tors. eta vs tors. theta energy: -42.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -504.211327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.211327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.211327 (E_RNA)
where:
Base-Base interactions energy: -327.040
where: short stacking energy: -138.251
Base-Backbone interact. energy: -0.385
local terms energy: -176.785753
where:
bonds (distance) C4'-P energy: -34.036
bonds (distance) P-C4' energy: -46.474
flat angles C4'-P-C4' energy: -37.085
flat angles P-C4'-P energy: -15.680
tors. eta vs tors. theta energy: -43.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -435.451857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.451857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.451857 (E_RNA)
where:
Base-Base interactions energy: -280.462
where: short stacking energy: -111.806
Base-Backbone interact. energy: -0.296
local terms energy: -154.693625
where:
bonds (distance) C4'-P energy: -35.089
bonds (distance) P-C4' energy: -37.450
flat angles C4'-P-C4' energy: -32.796
flat angles P-C4'-P energy: -26.132
tors. eta vs tors. theta energy: -23.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -255.527922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.527922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.527922 (E_RNA)
where:
Base-Base interactions energy: -126.070
where: short stacking energy: -64.571
Base-Backbone interact. energy: -1.842
local terms energy: -127.616725
where:
bonds (distance) C4'-P energy: -28.340
bonds (distance) P-C4' energy: -43.171
flat angles C4'-P-C4' energy: -27.662
flat angles P-C4'-P energy: -26.011
tors. eta vs tors. theta energy: -2.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -189.489444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.489444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.489444 (E_RNA)
where:
Base-Base interactions energy: -63.394
where: short stacking energy: -48.971
Base-Backbone interact. energy: 0.247
local terms energy: -126.342422
where:
bonds (distance) C4'-P energy: -29.753
bonds (distance) P-C4' energy: -42.320
flat angles C4'-P-C4' energy: -33.558
flat angles P-C4'-P energy: -23.096
tors. eta vs tors. theta energy: 2.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -166.512476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.512476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.512476 (E_RNA)
where:
Base-Base interactions energy: -46.797
where: short stacking energy: -33.464
Base-Backbone interact. energy: 3.205
local terms energy: -122.919842
where:
bonds (distance) C4'-P energy: -42.435
bonds (distance) P-C4' energy: -37.138
flat angles C4'-P-C4' energy: -31.592
flat angles P-C4'-P energy: -16.198
tors. eta vs tors. theta energy: 4.443
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: 7
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -646.511252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.511252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.511252 (E_RNA)
where:
Base-Base interactions energy: -427.275
where: short stacking energy: -194.417
Base-Backbone interact. energy: -0.533
local terms energy: -218.703683
where:
bonds (distance) C4'-P energy: -36.030
bonds (distance) P-C4' energy: -42.496
flat angles C4'-P-C4' energy: -48.229
flat angles P-C4'-P energy: -30.894
tors. eta vs tors. theta energy: -61.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -606.098900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.098900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.098900 (E_RNA)
where:
Base-Base interactions energy: -396.867
where: short stacking energy: -169.674
Base-Backbone interact. energy: -1.374
local terms energy: -207.857385
where:
bonds (distance) C4'-P energy: -39.782
bonds (distance) P-C4' energy: -44.058
flat angles C4'-P-C4' energy: -42.101
flat angles P-C4'-P energy: -26.033
tors. eta vs tors. theta energy: -55.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -591.087788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.087788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.087788 (E_RNA)
where:
Base-Base interactions energy: -396.387
where: short stacking energy: -190.480
Base-Backbone interact. energy: -1.510
local terms energy: -193.191050
where:
bonds (distance) C4'-P energy: -31.716
bonds (distance) P-C4' energy: -30.185
flat angles C4'-P-C4' energy: -44.084
flat angles P-C4'-P energy: -28.280
tors. eta vs tors. theta energy: -58.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -603.540645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.540645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.540645 (E_RNA)
where:
Base-Base interactions energy: -411.420
where: short stacking energy: -175.401
Base-Backbone interact. energy: -0.650
local terms energy: -191.470332
where:
bonds (distance) C4'-P energy: -40.700
bonds (distance) P-C4' energy: -28.715
flat angles C4'-P-C4' energy: -41.239
flat angles P-C4'-P energy: -32.049
tors. eta vs tors. theta energy: -48.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -528.886370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.886370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.886370 (E_RNA)
where:
Base-Base interactions energy: -335.268
where: short stacking energy: -146.492
Base-Backbone interact. energy: -0.425
local terms energy: -193.193252
where:
bonds (distance) C4'-P energy: -38.032
bonds (distance) P-C4' energy: -37.664
flat angles C4'-P-C4' energy: -42.199
flat angles P-C4'-P energy: -32.982
tors. eta vs tors. theta energy: -42.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -536.788108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.788108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.788108 (E_RNA)
where:
Base-Base interactions energy: -357.684
where: short stacking energy: -151.685
Base-Backbone interact. energy: 0.653
local terms energy: -179.756853
where:
bonds (distance) C4'-P energy: -36.935
bonds (distance) P-C4' energy: -37.459
flat angles C4'-P-C4' energy: -35.553
flat angles P-C4'-P energy: -25.261
tors. eta vs tors. theta energy: -44.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -436.091084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.091084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.091084 (E_RNA)
where:
Base-Base interactions energy: -270.710
where: short stacking energy: -121.891
Base-Backbone interact. energy: 1.708
local terms energy: -167.088594
where:
bonds (distance) C4'-P energy: -40.548
bonds (distance) P-C4' energy: -42.575
flat angles C4'-P-C4' energy: -32.194
flat angles P-C4'-P energy: -19.899
tors. eta vs tors. theta energy: -31.874
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: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -189.933248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.933248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.933248 (E_RNA)
where:
Base-Base interactions energy: -70.760
where: short stacking energy: -55.284
Base-Backbone interact. energy: -0.355
local terms energy: -118.818231
where:
bonds (distance) C4'-P energy: -30.234
bonds (distance) P-C4' energy: -37.137
flat angles C4'-P-C4' energy: -30.390
flat angles P-C4'-P energy: -23.930
tors. eta vs tors. theta energy: 2.872
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: 9, replica: 10
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -178.324498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.324498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.324498 (E_RNA)
where:
Base-Base interactions energy: -57.202
where: short stacking energy: -43.138
Base-Backbone interact. energy: -0.323
local terms energy: -120.798734
where:
bonds (distance) C4'-P energy: -31.889
bonds (distance) P-C4' energy: -37.186
flat angles C4'-P-C4' energy: -28.673
flat angles P-C4'-P energy: -18.889
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: 10, replica: 6
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -168.327398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.327398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.327398 (E_RNA)
where:
Base-Base interactions energy: -58.421
where: short stacking energy: -51.191
Base-Backbone interact. energy: -0.823
local terms energy: -109.084028
where:
bonds (distance) C4'-P energy: -24.144
bonds (distance) P-C4' energy: -31.506
flat angles C4'-P-C4' energy: -21.158
flat angles P-C4'-P energy: -25.165
tors. eta vs tors. theta energy: -7.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -640.845282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.845282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.845282 (E_RNA)
where:
Base-Base interactions energy: -422.017
where: short stacking energy: -211.772
Base-Backbone interact. energy: -0.703
local terms energy: -218.125062
where:
bonds (distance) C4'-P energy: -34.162
bonds (distance) P-C4' energy: -33.776
flat angles C4'-P-C4' energy: -50.533
flat angles P-C4'-P energy: -33.704
tors. eta vs tors. theta energy: -65.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -607.365708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.365708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.365708 (E_RNA)
where:
Base-Base interactions energy: -392.269
where: short stacking energy: -198.621
Base-Backbone interact. energy: 0.179
local terms energy: -215.275805
where:
bonds (distance) C4'-P energy: -39.936
bonds (distance) P-C4' energy: -33.931
flat angles C4'-P-C4' energy: -45.325
flat angles P-C4'-P energy: -33.118
tors. eta vs tors. theta energy: -62.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -591.353065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.353065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.353065 (E_RNA)
where:
Base-Base interactions energy: -412.922
where: short stacking energy: -159.491
Base-Backbone interact. energy: -2.581
local terms energy: -175.849864
where:
bonds (distance) C4'-P energy: -30.453
bonds (distance) P-C4' energy: -38.879
flat angles C4'-P-C4' energy: -34.656
flat angles P-C4'-P energy: -30.664
tors. eta vs tors. theta energy: -41.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -590.187442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.187442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.187442 (E_RNA)
where:
Base-Base interactions energy: -398.683
where: short stacking energy: -172.872
Base-Backbone interact. energy: -0.642
local terms energy: -190.863128
where:
bonds (distance) C4'-P energy: -33.112
bonds (distance) P-C4' energy: -36.536
flat angles C4'-P-C4' energy: -39.813
flat angles P-C4'-P energy: -31.070
tors. eta vs tors. theta energy: -50.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -525.371167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.371167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.371167 (E_RNA)
where:
Base-Base interactions energy: -345.575
where: short stacking energy: -157.992
Base-Backbone interact. energy: -0.061
local terms energy: -179.734528
where:
bonds (distance) C4'-P energy: -36.491
bonds (distance) P-C4' energy: -36.649
flat angles C4'-P-C4' energy: -35.168
flat angles P-C4'-P energy: -17.849
tors. eta vs tors. theta energy: -53.578
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: 3
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -523.494147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.494147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.494147 (E_RNA)
where:
Base-Base interactions energy: -352.018
where: short stacking energy: -142.385
Base-Backbone interact. energy: -0.890
local terms energy: -170.586078
where:
bonds (distance) C4'-P energy: -29.417
bonds (distance) P-C4' energy: -34.803
flat angles C4'-P-C4' energy: -37.512
flat angles P-C4'-P energy: -24.245
tors. eta vs tors. theta energy: -44.609
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: 9
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -435.506108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.506108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.506108 (E_RNA)
where:
Base-Base interactions energy: -268.999
where: short stacking energy: -115.675
Base-Backbone interact. energy: 0.795
local terms energy: -167.301656
where:
bonds (distance) C4'-P energy: -36.079
bonds (distance) P-C4' energy: -38.198
flat angles C4'-P-C4' energy: -42.679
flat angles P-C4'-P energy: -19.209
tors. eta vs tors. theta energy: -31.137
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: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -189.314789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.314789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.314789 (E_RNA)
where:
Base-Base interactions energy: -67.909
where: short stacking energy: -51.328
Base-Backbone interact. energy: 1.521
local terms energy: -122.927247
where:
bonds (distance) C4'-P energy: -39.326
bonds (distance) P-C4' energy: -37.726
flat angles C4'-P-C4' energy: -34.989
flat angles P-C4'-P energy: -16.592
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: 9, replica: 10
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -176.291970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.291970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.291970 (E_RNA)
where:
Base-Base interactions energy: -64.535
where: short stacking energy: -50.462
Base-Backbone interact. energy: -2.057
local terms energy: -109.699246
where:
bonds (distance) C4'-P energy: -30.165
bonds (distance) P-C4' energy: -31.978
flat angles C4'-P-C4' energy: -34.987
flat angles P-C4'-P energy: -18.981
tors. eta vs tors. theta energy: 6.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -165.644512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.644512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.644512 (E_RNA)
where:
Base-Base interactions energy: -47.351
where: short stacking energy: -46.065
Base-Backbone interact. energy: -0.562
local terms energy: -117.731337
where:
bonds (distance) C4'-P energy: -36.266
bonds (distance) P-C4' energy: -31.273
flat angles C4'-P-C4' energy: -29.661
flat angles P-C4'-P energy: -21.067
tors. eta vs tors. theta energy: 0.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -635.076509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.076509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.076509 (E_RNA)
where:
Base-Base interactions energy: -414.087
where: short stacking energy: -200.696
Base-Backbone interact. energy: -0.221
local terms energy: -220.769054
where:
bonds (distance) C4'-P energy: -44.504
bonds (distance) P-C4' energy: -36.150
flat angles C4'-P-C4' energy: -43.874
flat angles P-C4'-P energy: -28.514
tors. eta vs tors. theta energy: -67.727
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: 4
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -593.335572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.335572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.335572 (E_RNA)
where:
Base-Base interactions energy: -380.768
where: short stacking energy: -186.682
Base-Backbone interact. energy: -0.514
local terms energy: -212.052766
where:
bonds (distance) C4'-P energy: -36.028
bonds (distance) P-C4' energy: -38.753
flat angles C4'-P-C4' energy: -42.175
flat angles P-C4'-P energy: -31.166
tors. eta vs tors. theta energy: -63.931
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: 5
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -599.380551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.380551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.380551 (E_RNA)
where:
Base-Base interactions energy: -405.327
where: short stacking energy: -158.220
Base-Backbone interact. energy: -0.353
local terms energy: -193.701065
where:
bonds (distance) C4'-P energy: -38.803
bonds (distance) P-C4' energy: -43.122
flat angles C4'-P-C4' energy: -38.962
flat angles P-C4'-P energy: -26.753
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: 4, replica: 1
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -584.697892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.697892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.697892 (E_RNA)
where:
Base-Base interactions energy: -376.435
where: short stacking energy: -166.213
Base-Backbone interact. energy: -2.306
local terms energy: -205.957414
where:
bonds (distance) C4'-P energy: -42.645
bonds (distance) P-C4' energy: -44.558
flat angles C4'-P-C4' energy: -39.734
flat angles P-C4'-P energy: -26.319
tors. eta vs tors. theta energy: -52.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -536.518334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.518334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.518334 (E_RNA)
where:
Base-Base interactions energy: -353.325
where: short stacking energy: -152.436
Base-Backbone interact. energy: -0.701
local terms energy: -182.492043
where:
bonds (distance) C4'-P energy: -35.579
bonds (distance) P-C4' energy: -39.991
flat angles C4'-P-C4' energy: -36.035
flat angles P-C4'-P energy: -32.464
tors. eta vs tors. theta energy: -38.423
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: 182
Temperature: 1.150000
Total energy: -485.874132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.874132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.874132 (E_RNA)
where:
Base-Base interactions energy: -307.738
where: short stacking energy: -136.283
Base-Backbone interact. energy: 0.712
local terms energy: -178.847665
where:
bonds (distance) C4'-P energy: -41.442
bonds (distance) P-C4' energy: -34.848
flat angles C4'-P-C4' energy: -38.802
flat angles P-C4'-P energy: -29.542
tors. eta vs tors. theta energy: -34.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -473.198860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.198860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.198860 (E_RNA)
where:
Base-Base interactions energy: -311.793
where: short stacking energy: -141.678
Base-Backbone interact. energy: -0.290
local terms energy: -161.116442
where:
bonds (distance) C4'-P energy: -29.062
bonds (distance) P-C4' energy: -30.900
flat angles C4'-P-C4' energy: -43.775
flat angles P-C4'-P energy: -19.726
tors. eta vs tors. theta energy: -37.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -194.538771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.538771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.538771 (E_RNA)
where:
Base-Base interactions energy: -60.175
where: short stacking energy: -56.728
Base-Backbone interact. energy: -0.854
local terms energy: -133.509710
where:
bonds (distance) C4'-P energy: -34.096
bonds (distance) P-C4' energy: -36.946
flat angles C4'-P-C4' energy: -35.927
flat angles P-C4'-P energy: -18.108
tors. eta vs tors. theta energy: -8.433
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: 6
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -199.759768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.759768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.759768 (E_RNA)
where:
Base-Base interactions energy: -97.170
where: short stacking energy: -47.099
Base-Backbone interact. energy: 0.376
local terms energy: -102.965449
where:
bonds (distance) C4'-P energy: -30.892
bonds (distance) P-C4' energy: -36.198
flat angles C4'-P-C4' energy: -28.134
flat angles P-C4'-P energy: -17.491
tors. eta vs tors. theta energy: 9.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -187.974227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.974227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.974227 (E_RNA)
where:
Base-Base interactions energy: -66.256
where: short stacking energy: -45.529
Base-Backbone interact. energy: -0.617
local terms energy: -121.100535
where:
bonds (distance) C4'-P energy: -43.312
bonds (distance) P-C4' energy: -35.386
flat angles C4'-P-C4' energy: -22.601
flat angles P-C4'-P energy: -27.884
tors. eta vs tors. theta energy: 8.082
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: 7
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -655.435568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.435568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.435568 (E_RNA)
where:
Base-Base interactions energy: -430.816
where: short stacking energy: -211.195
Base-Backbone interact. energy: 0.189
local terms energy: -224.808910
where:
bonds (distance) C4'-P energy: -29.960
bonds (distance) P-C4' energy: -37.581
flat angles C4'-P-C4' energy: -47.875
flat angles P-C4'-P energy: -35.925
tors. eta vs tors. theta energy: -73.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -623.740453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.740453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.740453 (E_RNA)
where:
Base-Base interactions energy: -414.010
where: short stacking energy: -173.416
Base-Backbone interact. energy: -0.307
local terms energy: -209.423532
where:
bonds (distance) C4'-P energy: -40.959
bonds (distance) P-C4' energy: -45.454
flat angles C4'-P-C4' energy: -41.493
flat angles P-C4'-P energy: -29.325
tors. eta vs tors. theta energy: -52.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -571.722587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.722587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.722587 (E_RNA)
where:
Base-Base interactions energy: -360.126
where: short stacking energy: -168.700
Base-Backbone interact. energy: 0.270
local terms energy: -211.866298
where:
bonds (distance) C4'-P energy: -36.721
bonds (distance) P-C4' energy: -44.004
flat angles C4'-P-C4' energy: -42.027
flat angles P-C4'-P energy: -30.952
tors. eta vs tors. theta energy: -58.163
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: 1
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -604.814161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.814161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.814161 (E_RNA)
where:
Base-Base interactions energy: -408.566
where: short stacking energy: -180.513
Base-Backbone interact. energy: -0.589
local terms energy: -195.659549
where:
bonds (distance) C4'-P energy: -35.639
bonds (distance) P-C4' energy: -41.915
flat angles C4'-P-C4' energy: -42.470
flat angles P-C4'-P energy: -30.734
tors. eta vs tors. theta energy: -44.901
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: 5, replica: 3
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -575.722244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.722244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.722244 (E_RNA)
where:
Base-Base interactions energy: -368.953
where: short stacking energy: -132.971
Base-Backbone interact. energy: 0.328
local terms energy: -207.097171
where:
bonds (distance) C4'-P energy: -38.086
bonds (distance) P-C4' energy: -40.859
flat angles C4'-P-C4' energy: -45.134
flat angles P-C4'-P energy: -30.935
tors. eta vs tors. theta energy: -52.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -493.031237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.031237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.031237 (E_RNA)
where:
Base-Base interactions energy: -321.248
where: short stacking energy: -126.743
Base-Backbone interact. energy: 0.418
local terms energy: -172.200892
where:
bonds (distance) C4'-P energy: -30.069
bonds (distance) P-C4' energy: -36.033
flat angles C4'-P-C4' energy: -44.208
flat angles P-C4'-P energy: -23.425
tors. eta vs tors. theta energy: -38.466
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: 2
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -455.576773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.576773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.576773 (E_RNA)
where:
Base-Base interactions energy: -301.091
where: short stacking energy: -132.075
Base-Backbone interact. energy: -1.000
local terms energy: -153.486549
where:
bonds (distance) C4'-P energy: -25.176
bonds (distance) P-C4' energy: -27.332
flat angles C4'-P-C4' energy: -36.936
flat angles P-C4'-P energy: -26.109
tors. eta vs tors. theta energy: -37.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -216.999708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.999708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.999708 (E_RNA)
where:
Base-Base interactions energy: -106.792
where: short stacking energy: -64.445
Base-Backbone interact. energy: -0.186
local terms energy: -110.021718
where:
bonds (distance) C4'-P energy: -26.540
bonds (distance) P-C4' energy: -28.215
flat angles C4'-P-C4' energy: -34.998
flat angles P-C4'-P energy: -14.715
tors. eta vs tors. theta energy: -5.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -185.919256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.919256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.919256 (E_RNA)
where:
Base-Base interactions energy: -59.997
where: short stacking energy: -43.174
Base-Backbone interact. energy: -0.577
local terms energy: -125.345558
where:
bonds (distance) C4'-P energy: -29.679
bonds (distance) P-C4' energy: -39.246
flat angles C4'-P-C4' energy: -33.389
flat angles P-C4'-P energy: -20.893
tors. eta vs tors. theta energy: -2.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -166.232697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.232697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.232697 (E_RNA)
where:
Base-Base interactions energy: -55.332
where: short stacking energy: -49.848
Base-Backbone interact. energy: -1.022
local terms energy: -109.878456
where:
bonds (distance) C4'-P energy: -30.707
bonds (distance) P-C4' energy: -37.723
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -20.728
tors. eta vs tors. theta energy: -3.883
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: 1, replica: 7
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -641.405795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.405795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.405795 (E_RNA)
where:
Base-Base interactions energy: -411.806
where: short stacking energy: -196.380
Base-Backbone interact. energy: -0.429
local terms energy: -229.170953
where:
bonds (distance) C4'-P energy: -39.437
bonds (distance) P-C4' energy: -41.960
flat angles C4'-P-C4' energy: -46.831
flat angles P-C4'-P energy: -32.241
tors. eta vs tors. theta energy: -68.702
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: 5
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -631.032876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.032876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.032876 (E_RNA)
where:
Base-Base interactions energy: -424.931
where: short stacking energy: -187.232
Base-Backbone interact. energy: -0.719
local terms energy: -205.382407
where:
bonds (distance) C4'-P energy: -37.645
bonds (distance) P-C4' energy: -35.784
flat angles C4'-P-C4' energy: -46.576
flat angles P-C4'-P energy: -26.468
tors. eta vs tors. theta energy: -58.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -592.039442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.039442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.039442 (E_RNA)
where:
Base-Base interactions energy: -394.607
where: short stacking energy: -185.719
Base-Backbone interact. energy: 0.259
local terms energy: -197.691127
where:
bonds (distance) C4'-P energy: -31.936
bonds (distance) P-C4' energy: -38.129
flat angles C4'-P-C4' energy: -45.439
flat angles P-C4'-P energy: -34.958
tors. eta vs tors. theta energy: -47.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -551.160199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.160199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.160199 (E_RNA)
where:
Base-Base interactions energy: -353.936
where: short stacking energy: -173.536
Base-Backbone interact. energy: -1.989
local terms energy: -195.234486
where:
bonds (distance) C4'-P energy: -35.739
bonds (distance) P-C4' energy: -30.865
flat angles C4'-P-C4' energy: -43.640
flat angles P-C4'-P energy: -27.101
tors. eta vs tors. theta energy: -57.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -578.605911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.605911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.605911 (E_RNA)
where:
Base-Base interactions energy: -379.577
where: short stacking energy: -159.057
Base-Backbone interact. energy: 0.012
local terms energy: -199.040607
where:
bonds (distance) C4'-P energy: -29.967
bonds (distance) P-C4' energy: -40.086
flat angles C4'-P-C4' energy: -47.154
flat angles P-C4'-P energy: -30.268
tors. eta vs tors. theta energy: -51.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -544.152551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.152551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.152551 (E_RNA)
where:
Base-Base interactions energy: -349.652
where: short stacking energy: -150.591
Base-Backbone interact. energy: -0.418
local terms energy: -194.082483
where:
bonds (distance) C4'-P energy: -33.082
bonds (distance) P-C4' energy: -43.138
flat angles C4'-P-C4' energy: -39.676
flat angles P-C4'-P energy: -30.235
tors. eta vs tors. theta energy: -47.952
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: 2
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -482.642967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.642967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.642967 (E_RNA)
where:
Base-Base interactions energy: -300.790
where: short stacking energy: -141.262
Base-Backbone interact. energy: -0.009
local terms energy: -181.843727
where:
bonds (distance) C4'-P energy: -37.501
bonds (distance) P-C4' energy: -37.426
flat angles C4'-P-C4' energy: -34.522
flat angles P-C4'-P energy: -28.149
tors. eta vs tors. theta energy: -44.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -226.132060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.132060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.132060 (E_RNA)
where:
Base-Base interactions energy: -100.380
where: short stacking energy: -63.626
Base-Backbone interact. energy: -0.342
local terms energy: -125.409917
where:
bonds (distance) C4'-P energy: -34.059
bonds (distance) P-C4' energy: -31.935
flat angles C4'-P-C4' energy: -39.126
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -7.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -202.641518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.641518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.641518 (E_RNA)
where:
Base-Base interactions energy: -89.474
where: short stacking energy: -45.920
Base-Backbone interact. energy: -0.730
local terms energy: -112.436903
where:
bonds (distance) C4'-P energy: -30.852
bonds (distance) P-C4' energy: -39.195
flat angles C4'-P-C4' energy: -22.512
flat angles P-C4'-P energy: -18.809
tors. eta vs tors. theta energy: -1.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -165.931141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.931141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.931141 (E_RNA)
where:
Base-Base interactions energy: -45.294
where: short stacking energy: -35.344
Base-Backbone interact. energy: 0.849
local terms energy: -121.486193
where:
bonds (distance) C4'-P energy: -28.585
bonds (distance) P-C4' energy: -42.477
flat angles C4'-P-C4' energy: -32.111
flat angles P-C4'-P energy: -26.540
tors. eta vs tors. theta energy: 8.227
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: 1, replica: 7
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -646.864936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.864936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.864936 (E_RNA)
where:
Base-Base interactions energy: -416.055
where: short stacking energy: -212.247
Base-Backbone interact. energy: -0.024
local terms energy: -230.786241
where:
bonds (distance) C4'-P energy: -42.391
bonds (distance) P-C4' energy: -36.556
flat angles C4'-P-C4' energy: -47.722
flat angles P-C4'-P energy: -33.935
tors. eta vs tors. theta energy: -70.183
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: 5
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -644.418914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.418914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.418914 (E_RNA)
where:
Base-Base interactions energy: -433.107
where: short stacking energy: -172.844
Base-Backbone interact. energy: 1.778
local terms energy: -213.089335
where:
bonds (distance) C4'-P energy: -38.236
bonds (distance) P-C4' energy: -43.127
flat angles C4'-P-C4' energy: -43.524
flat angles P-C4'-P energy: -35.463
tors. eta vs tors. theta energy: -52.740
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: 185
Temperature: 1.000000
Total energy: -586.533755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.533755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.533755 (E_RNA)
where:
Base-Base interactions energy: -387.421
where: short stacking energy: -174.305
Base-Backbone interact. energy: -0.277
local terms energy: -198.835692
where:
bonds (distance) C4'-P energy: -38.399
bonds (distance) P-C4' energy: -37.357
flat angles C4'-P-C4' energy: -40.306
flat angles P-C4'-P energy: -32.135
tors. eta vs tors. theta energy: -50.639
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: 3
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -588.217336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.217336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.217336 (E_RNA)
where:
Base-Base interactions energy: -381.303
where: short stacking energy: -156.882
Base-Backbone interact. energy: -0.325
local terms energy: -206.589688
where:
bonds (distance) C4'-P energy: -40.603
bonds (distance) P-C4' energy: -42.915
flat angles C4'-P-C4' energy: -41.742
flat angles P-C4'-P energy: -32.749
tors. eta vs tors. theta energy: -48.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -518.366899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.366899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.366899 (E_RNA)
where:
Base-Base interactions energy: -332.310
where: short stacking energy: -161.949
Base-Backbone interact. energy: 0.662
local terms energy: -186.718904
where:
bonds (distance) C4'-P energy: -33.153
bonds (distance) P-C4' energy: -41.003
flat angles C4'-P-C4' energy: -37.143
flat angles P-C4'-P energy: -29.668
tors. eta vs tors. theta energy: -45.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -533.177088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.177088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.177088 (E_RNA)
where:
Base-Base interactions energy: -361.516
where: short stacking energy: -142.756
Base-Backbone interact. energy: -0.627
local terms energy: -171.034532
where:
bonds (distance) C4'-P energy: -35.712
bonds (distance) P-C4' energy: -35.531
flat angles C4'-P-C4' energy: -39.478
flat angles P-C4'-P energy: -20.423
tors. eta vs tors. theta energy: -39.891
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: 2
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -472.416482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.416482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.416482 (E_RNA)
where:
Base-Base interactions energy: -296.513
where: short stacking energy: -134.443
Base-Backbone interact. energy: -0.208
local terms energy: -175.694985
where:
bonds (distance) C4'-P energy: -29.823
bonds (distance) P-C4' energy: -31.256
flat angles C4'-P-C4' energy: -42.076
flat angles P-C4'-P energy: -27.880
tors. eta vs tors. theta energy: -44.660
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: 6
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -247.612160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.612160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.612160 (E_RNA)
where:
Base-Base interactions energy: -120.410
where: short stacking energy: -71.798
Base-Backbone interact. energy: -1.887
local terms energy: -125.315124
where:
bonds (distance) C4'-P energy: -44.256
bonds (distance) P-C4' energy: -37.789
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -10.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -199.296360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.296360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.296360 (E_RNA)
where:
Base-Base interactions energy: -83.426
where: short stacking energy: -59.949
Base-Backbone interact. energy: -0.167
local terms energy: -115.702935
where:
bonds (distance) C4'-P energy: -36.561
bonds (distance) P-C4' energy: -33.233
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -25.462
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: 10, replica: 8
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -172.885406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.885406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.885406 (E_RNA)
where:
Base-Base interactions energy: -55.655
where: short stacking energy: -45.637
Base-Backbone interact. energy: -2.063
local terms energy: -115.167316
where:
bonds (distance) C4'-P energy: -37.520
bonds (distance) P-C4' energy: -32.592
flat angles C4'-P-C4' energy: -22.431
flat angles P-C4'-P energy: -24.503
tors. eta vs tors. theta energy: 1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -645.309063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.309063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.309063 (E_RNA)
where:
Base-Base interactions energy: -429.552
where: short stacking energy: -203.883
Base-Backbone interact. energy: -1.163
local terms energy: -214.594705
where:
bonds (distance) C4'-P energy: -44.055
bonds (distance) P-C4' energy: -39.232
flat angles C4'-P-C4' energy: -43.410
flat angles P-C4'-P energy: -28.629
tors. eta vs tors. theta energy: -59.269
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: 2, replica: 5
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -639.142641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.142641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.142641 (E_RNA)
where:
Base-Base interactions energy: -433.903
where: short stacking energy: -177.552
Base-Backbone interact. energy: -0.629
local terms energy: -204.611424
where:
bonds (distance) C4'-P energy: -42.605
bonds (distance) P-C4' energy: -38.556
flat angles C4'-P-C4' energy: -42.111
flat angles P-C4'-P energy: -27.479
tors. eta vs tors. theta energy: -53.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -587.836163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.836163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.836163 (E_RNA)
where:
Base-Base interactions energy: -381.805
where: short stacking energy: -164.045
Base-Backbone interact. energy: -0.305
local terms energy: -205.726277
where:
bonds (distance) C4'-P energy: -38.153
bonds (distance) P-C4' energy: -37.661
flat angles C4'-P-C4' energy: -42.718
flat angles P-C4'-P energy: -31.462
tors. eta vs tors. theta energy: -55.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -571.902967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.902967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.902967 (E_RNA)
where:
Base-Base interactions energy: -375.572
where: short stacking energy: -165.897
Base-Backbone interact. energy: 1.300
local terms energy: -197.630766
where:
bonds (distance) C4'-P energy: -37.339
bonds (distance) P-C4' energy: -40.701
flat angles C4'-P-C4' energy: -43.879
flat angles P-C4'-P energy: -30.471
tors. eta vs tors. theta energy: -45.241
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: 9
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -542.026315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.026315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.026315 (E_RNA)
where:
Base-Base interactions energy: -368.467
where: short stacking energy: -160.325
Base-Backbone interact. energy: -0.916
local terms energy: -172.642949
where:
bonds (distance) C4'-P energy: -30.546
bonds (distance) P-C4' energy: -34.467
flat angles C4'-P-C4' energy: -39.408
flat angles P-C4'-P energy: -19.823
tors. eta vs tors. theta energy: -48.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -500.259797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.259797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.259797 (E_RNA)
where:
Base-Base interactions energy: -312.961
where: short stacking energy: -152.742
Base-Backbone interact. energy: -0.812
local terms energy: -186.487248
where:
bonds (distance) C4'-P energy: -37.439
bonds (distance) P-C4' energy: -40.968
flat angles C4'-P-C4' energy: -32.594
flat angles P-C4'-P energy: -25.025
tors. eta vs tors. theta energy: -50.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -492.292951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.292951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.292951 (E_RNA)
where:
Base-Base interactions energy: -309.986
where: short stacking energy: -137.533
Base-Backbone interact. energy: -0.478
local terms energy: -181.829502
where:
bonds (distance) C4'-P energy: -44.246
bonds (distance) P-C4' energy: -39.177
flat angles C4'-P-C4' energy: -37.491
flat angles P-C4'-P energy: -24.948
tors. eta vs tors. theta energy: -35.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -221.933475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.933475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.933475 (E_RNA)
where:
Base-Base interactions energy: -111.425
where: short stacking energy: -52.498
Base-Backbone interact. energy: 4.835
local terms energy: -115.344338
where:
bonds (distance) C4'-P energy: -33.191
bonds (distance) P-C4' energy: -28.327
flat angles C4'-P-C4' energy: -34.941
flat angles P-C4'-P energy: -25.866
tors. eta vs tors. theta energy: 6.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -198.035446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.035446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.035446 (E_RNA)
where:
Base-Base interactions energy: -72.407
where: short stacking energy: -45.388
Base-Backbone interact. energy: -1.164
local terms energy: -124.464259
where:
bonds (distance) C4'-P energy: -39.926
bonds (distance) P-C4' energy: -30.630
flat angles C4'-P-C4' energy: -29.741
flat angles P-C4'-P energy: -21.458
tors. eta vs tors. theta energy: -2.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -173.854745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.854745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.854745 (E_RNA)
where:
Base-Base interactions energy: -56.582
where: short stacking energy: -49.425
Base-Backbone interact. energy: -1.075
local terms energy: -116.197525
where:
bonds (distance) C4'-P energy: -34.023
bonds (distance) P-C4' energy: -37.392
flat angles C4'-P-C4' energy: -28.901
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -4.071
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: 1, replica: 7
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -656.640117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.640117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.640117 (E_RNA)
where:
Base-Base interactions energy: -429.158
where: short stacking energy: -206.742
Base-Backbone interact. energy: -0.301
local terms energy: -227.180267
where:
bonds (distance) C4'-P energy: -42.015
bonds (distance) P-C4' energy: -39.446
flat angles C4'-P-C4' energy: -49.754
flat angles P-C4'-P energy: -30.110
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: 2, replica: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -634.904890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.904890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.904890 (E_RNA)
where:
Base-Base interactions energy: -437.422
where: short stacking energy: -183.245
Base-Backbone interact. energy: -0.987
local terms energy: -196.495831
where:
bonds (distance) C4'-P energy: -35.267
bonds (distance) P-C4' energy: -40.086
flat angles C4'-P-C4' energy: -43.536
flat angles P-C4'-P energy: -23.917
tors. eta vs tors. theta energy: -53.690
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: 3
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -609.958667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.958667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.958667 (E_RNA)
where:
Base-Base interactions energy: -408.319
where: short stacking energy: -177.350
Base-Backbone interact. energy: -0.260
local terms energy: -201.379620
where:
bonds (distance) C4'-P energy: -38.172
bonds (distance) P-C4' energy: -33.585
flat angles C4'-P-C4' energy: -43.029
flat angles P-C4'-P energy: -27.532
tors. eta vs tors. theta energy: -59.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -561.109418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.109418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.109418 (E_RNA)
where:
Base-Base interactions energy: -370.816
where: short stacking energy: -169.342
Base-Backbone interact. energy: -0.280
local terms energy: -190.013163
where:
bonds (distance) C4'-P energy: -32.920
bonds (distance) P-C4' energy: -42.197
flat angles C4'-P-C4' energy: -41.212
flat angles P-C4'-P energy: -24.321
tors. eta vs tors. theta energy: -49.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -535.832412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.832412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.832412 (E_RNA)
where:
Base-Base interactions energy: -355.063
where: short stacking energy: -146.951
Base-Backbone interact. energy: -0.234
local terms energy: -180.535754
where:
bonds (distance) C4'-P energy: -41.673
bonds (distance) P-C4' energy: -35.989
flat angles C4'-P-C4' energy: -31.868
flat angles P-C4'-P energy: -24.497
tors. eta vs tors. theta energy: -46.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -485.865016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.865016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.865016 (E_RNA)
where:
Base-Base interactions energy: -312.506
where: short stacking energy: -146.230
Base-Backbone interact. energy: -1.190
local terms energy: -172.168090
where:
bonds (distance) C4'-P energy: -33.006
bonds (distance) P-C4' energy: -36.562
flat angles C4'-P-C4' energy: -43.758
flat angles P-C4'-P energy: -23.272
tors. eta vs tors. theta energy: -35.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -454.462347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.462347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.462347 (E_RNA)
where:
Base-Base interactions energy: -286.979
where: short stacking energy: -128.768
Base-Backbone interact. energy: -1.370
local terms energy: -166.113644
where:
bonds (distance) C4'-P energy: -22.592
bonds (distance) P-C4' energy: -43.473
flat angles C4'-P-C4' energy: -41.075
flat angles P-C4'-P energy: -19.549
tors. eta vs tors. theta energy: -39.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -252.935232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.935232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.935232 (E_RNA)
where:
Base-Base interactions energy: -129.630
where: short stacking energy: -69.488
Base-Backbone interact. energy: -0.864
local terms energy: -122.440586
where:
bonds (distance) C4'-P energy: -33.366
bonds (distance) P-C4' energy: -40.313
flat angles C4'-P-C4' energy: -20.839
flat angles P-C4'-P energy: -19.352
tors. eta vs tors. theta energy: -8.571
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: 9, replica: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -251.526868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.526868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.526868 (E_RNA)
where:
Base-Base interactions energy: -130.663
where: short stacking energy: -70.315
Base-Backbone interact. energy: -0.392
local terms energy: -120.472034
where:
bonds (distance) C4'-P energy: -34.142
bonds (distance) P-C4' energy: -28.941
flat angles C4'-P-C4' energy: -33.915
flat angles P-C4'-P energy: -14.318
tors. eta vs tors. theta energy: -9.156
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: 187
Temperature: 1.350000
Total energy: -176.395763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.395763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.395763 (E_RNA)
where:
Base-Base interactions energy: -62.191
where: short stacking energy: -51.724
Base-Backbone interact. energy: 0.883
local terms energy: -115.087474
where:
bonds (distance) C4'-P energy: -33.834
bonds (distance) P-C4' energy: -32.853
flat angles C4'-P-C4' energy: -24.343
flat angles P-C4'-P energy: -19.701
tors. eta vs tors. theta energy: -4.357
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: 7
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -648.271195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.271195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.271195 (E_RNA)
where:
Base-Base interactions energy: -431.523
where: short stacking energy: -193.718
Base-Backbone interact. energy: -0.358
local terms energy: -216.389622
where:
bonds (distance) C4'-P energy: -41.906
bonds (distance) P-C4' energy: -35.368
flat angles C4'-P-C4' energy: -46.248
flat angles P-C4'-P energy: -35.608
tors. eta vs tors. theta energy: -57.260
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: 5
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -635.795429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.795429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.795429 (E_RNA)
where:
Base-Base interactions energy: -432.381
where: short stacking energy: -168.953
Base-Backbone interact. energy: -0.603
local terms energy: -202.811586
where:
bonds (distance) C4'-P energy: -39.865
bonds (distance) P-C4' energy: -41.905
flat angles C4'-P-C4' energy: -46.281
flat angles P-C4'-P energy: -26.016
tors. eta vs tors. theta energy: -48.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -618.361904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.361904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.361904 (E_RNA)
where:
Base-Base interactions energy: -420.643
where: short stacking energy: -170.040
Base-Backbone interact. energy: -0.481
local terms energy: -197.237777
where:
bonds (distance) C4'-P energy: -38.714
bonds (distance) P-C4' energy: -35.469
flat angles C4'-P-C4' energy: -46.458
flat angles P-C4'-P energy: -25.026
tors. eta vs tors. theta energy: -51.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -572.172318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.172318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.172318 (E_RNA)
where:
Base-Base interactions energy: -388.910
where: short stacking energy: -153.847
Base-Backbone interact. energy: 3.442
local terms energy: -186.704585
where:
bonds (distance) C4'-P energy: -38.239
bonds (distance) P-C4' energy: -36.121
flat angles C4'-P-C4' energy: -39.643
flat angles P-C4'-P energy: -27.652
tors. eta vs tors. theta energy: -45.049
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: 5, replica: 9
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -520.760130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.760130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.760130 (E_RNA)
where:
Base-Base interactions energy: -344.442
where: short stacking energy: -146.322
Base-Backbone interact. energy: -0.371
local terms energy: -175.947071
where:
bonds (distance) C4'-P energy: -36.638
bonds (distance) P-C4' energy: -41.312
flat angles C4'-P-C4' energy: -40.215
flat angles P-C4'-P energy: -21.234
tors. eta vs tors. theta energy: -36.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -510.619133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.619133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.619133 (E_RNA)
where:
Base-Base interactions energy: -328.852
where: short stacking energy: -148.302
Base-Backbone interact. energy: -1.210
local terms energy: -180.557252
where:
bonds (distance) C4'-P energy: -33.339
bonds (distance) P-C4' energy: -37.959
flat angles C4'-P-C4' energy: -34.251
flat angles P-C4'-P energy: -30.684
tors. eta vs tors. theta energy: -44.325
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: 4
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -445.836095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.836095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.836095 (E_RNA)
where:
Base-Base interactions energy: -268.988
where: short stacking energy: -125.783
Base-Backbone interact. energy: -1.100
local terms energy: -175.747340
where:
bonds (distance) C4'-P energy: -38.737
bonds (distance) P-C4' energy: -37.642
flat angles C4'-P-C4' energy: -30.973
flat angles P-C4'-P energy: -28.331
tors. eta vs tors. theta energy: -40.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -193.768965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.768965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.768965 (E_RNA)
where:
Base-Base interactions energy: -73.199
where: short stacking energy: -51.191
Base-Backbone interact. energy: -0.201
local terms energy: -120.368943
where:
bonds (distance) C4'-P energy: -29.603
bonds (distance) P-C4' energy: -38.391
flat angles C4'-P-C4' energy: -29.191
flat angles P-C4'-P energy: -22.190
tors. eta vs tors. theta energy: -0.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -252.789071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.789071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.789071 (E_RNA)
where:
Base-Base interactions energy: -122.399
where: short stacking energy: -74.070
Base-Backbone interact. energy: -0.632
local terms energy: -129.758448
where:
bonds (distance) C4'-P energy: -29.507
bonds (distance) P-C4' energy: -39.964
flat angles C4'-P-C4' energy: -33.260
flat angles P-C4'-P energy: -19.257
tors. eta vs tors. theta energy: -7.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -161.633239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.633239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.633239 (E_RNA)
where:
Base-Base interactions energy: -55.807
where: short stacking energy: -43.756
Base-Backbone interact. energy: 0.899
local terms energy: -106.725952
where:
bonds (distance) C4'-P energy: -33.301
bonds (distance) P-C4' energy: -32.335
flat angles C4'-P-C4' energy: -38.790
flat angles P-C4'-P energy: -14.869
tors. eta vs tors. theta energy: 12.568
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: 7
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -649.269579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.269579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.269579 (E_RNA)
where:
Base-Base interactions energy: -430.561
where: short stacking energy: -203.680
Base-Backbone interact. energy: 0.951
local terms energy: -219.659639
where:
bonds (distance) C4'-P energy: -36.250
bonds (distance) P-C4' energy: -42.951
flat angles C4'-P-C4' energy: -45.855
flat angles P-C4'-P energy: -33.317
tors. eta vs tors. theta energy: -61.287
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: 5
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -644.140278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.140278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.140278 (E_RNA)
where:
Base-Base interactions energy: -437.508
where: short stacking energy: -175.932
Base-Backbone interact. energy: -0.583
local terms energy: -206.050112
where:
bonds (distance) C4'-P energy: -44.124
bonds (distance) P-C4' energy: -37.402
flat angles C4'-P-C4' energy: -43.978
flat angles P-C4'-P energy: -26.495
tors. eta vs tors. theta energy: -54.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -624.070982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.070982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.070982 (E_RNA)
where:
Base-Base interactions energy: -409.812
where: short stacking energy: -170.227
Base-Backbone interact. energy: 0.192
local terms energy: -214.451299
where:
bonds (distance) C4'-P energy: -39.899
bonds (distance) P-C4' energy: -43.859
flat angles C4'-P-C4' energy: -42.609
flat angles P-C4'-P energy: -33.342
tors. eta vs tors. theta energy: -54.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -562.482283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.482283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.482283 (E_RNA)
where:
Base-Base interactions energy: -375.049
where: short stacking energy: -166.102
Base-Backbone interact. energy: -0.402
local terms energy: -187.031307
where:
bonds (distance) C4'-P energy: -38.701
bonds (distance) P-C4' energy: -36.178
flat angles C4'-P-C4' energy: -40.367
flat angles P-C4'-P energy: -25.376
tors. eta vs tors. theta energy: -46.410
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: 1
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -564.217359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.217359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.217359 (E_RNA)
where:
Base-Base interactions energy: -376.413
where: short stacking energy: -154.241
Base-Backbone interact. energy: -1.985
local terms energy: -185.819294
where:
bonds (distance) C4'-P energy: -36.532
bonds (distance) P-C4' energy: -42.129
flat angles C4'-P-C4' energy: -39.225
flat angles P-C4'-P energy: -28.280
tors. eta vs tors. theta energy: -39.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -494.598797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.598797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.598797 (E_RNA)
where:
Base-Base interactions energy: -325.581
where: short stacking energy: -141.225
Base-Backbone interact. energy: -1.058
local terms energy: -167.960079
where:
bonds (distance) C4'-P energy: -38.774
bonds (distance) P-C4' energy: -32.543
flat angles C4'-P-C4' energy: -39.115
flat angles P-C4'-P energy: -21.867
tors. eta vs tors. theta energy: -35.661
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: 7, replica: 4
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -437.994900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.994900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.994900 (E_RNA)
where:
Base-Base interactions energy: -265.639
where: short stacking energy: -116.006
Base-Backbone interact. energy: -1.539
local terms energy: -170.817276
where:
bonds (distance) C4'-P energy: -41.082
bonds (distance) P-C4' energy: -37.636
flat angles C4'-P-C4' energy: -33.781
flat angles P-C4'-P energy: -23.272
tors. eta vs tors. theta energy: -35.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -227.218911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.218911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.218911 (E_RNA)
where:
Base-Base interactions energy: -99.368
where: short stacking energy: -55.178
Base-Backbone interact. energy: -1.035
local terms energy: -126.816604
where:
bonds (distance) C4'-P energy: -37.775
bonds (distance) P-C4' energy: -35.387
flat angles C4'-P-C4' energy: -18.005
flat angles P-C4'-P energy: -31.140
tors. eta vs tors. theta energy: -4.510
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: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -180.929835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.929835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.929835 (E_RNA)
where:
Base-Base interactions energy: -61.135
where: short stacking energy: -54.299
Base-Backbone interact. energy: -0.962
local terms energy: -118.833018
where:
bonds (distance) C4'-P energy: -37.878
bonds (distance) P-C4' energy: -31.746
flat angles C4'-P-C4' energy: -30.748
flat angles P-C4'-P energy: -19.587
tors. eta vs tors. theta energy: 1.126
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: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -185.173451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.173451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.173451 (E_RNA)
where:
Base-Base interactions energy: -52.637
where: short stacking energy: -48.511
Base-Backbone interact. energy: -0.755
local terms energy: -131.782233
where:
bonds (distance) C4'-P energy: -28.491
bonds (distance) P-C4' energy: -35.963
flat angles C4'-P-C4' energy: -40.136
flat angles P-C4'-P energy: -24.331
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: 1, replica: 7
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -635.786290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.786290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.786290 (E_RNA)
where:
Base-Base interactions energy: -423.156
where: short stacking energy: -209.033
Base-Backbone interact. energy: -0.032
local terms energy: -212.597567
where:
bonds (distance) C4'-P energy: -39.000
bonds (distance) P-C4' energy: -36.858
flat angles C4'-P-C4' energy: -42.800
flat angles P-C4'-P energy: -27.828
tors. eta vs tors. theta energy: -66.112
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: 2, replica: 5
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -629.268865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.268865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.268865 (E_RNA)
where:
Base-Base interactions energy: -414.848
where: short stacking energy: -179.310
Base-Backbone interact. energy: -0.992
local terms energy: -213.429257
where:
bonds (distance) C4'-P energy: -45.321
bonds (distance) P-C4' energy: -43.807
flat angles C4'-P-C4' energy: -44.836
flat angles P-C4'-P energy: -25.036
tors. eta vs tors. theta energy: -54.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -627.505121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.505121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.505121 (E_RNA)
where:
Base-Base interactions energy: -422.143
where: short stacking energy: -181.600
Base-Backbone interact. energy: -0.618
local terms energy: -204.744741
where:
bonds (distance) C4'-P energy: -41.548
bonds (distance) P-C4' energy: -33.368
flat angles C4'-P-C4' energy: -46.542
flat angles P-C4'-P energy: -24.234
tors. eta vs tors. theta energy: -59.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -571.243934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.243934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.243934 (E_RNA)
where:
Base-Base interactions energy: -379.303
where: short stacking energy: -150.603
Base-Backbone interact. energy: -0.993
local terms energy: -190.948019
where:
bonds (distance) C4'-P energy: -35.313
bonds (distance) P-C4' energy: -38.475
flat angles C4'-P-C4' energy: -43.624
flat angles P-C4'-P energy: -27.603
tors. eta vs tors. theta energy: -45.933
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: 1
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -560.813260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.813260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.813260 (E_RNA)
where:
Base-Base interactions energy: -387.235
where: short stacking energy: -166.299
Base-Backbone interact. energy: -1.373
local terms energy: -172.205295
where:
bonds (distance) C4'-P energy: -28.631
bonds (distance) P-C4' energy: -34.019
flat angles C4'-P-C4' energy: -43.641
flat angles P-C4'-P energy: -25.996
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: 6, replica: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -477.755041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.755041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.755041 (E_RNA)
where:
Base-Base interactions energy: -316.539
where: short stacking energy: -139.931
Base-Backbone interact. energy: 0.864
local terms energy: -162.080304
where:
bonds (distance) C4'-P energy: -32.552
bonds (distance) P-C4' energy: -36.699
flat angles C4'-P-C4' energy: -36.073
flat angles P-C4'-P energy: -16.844
tors. eta vs tors. theta energy: -39.912
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: 7, replica: 4
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -505.310800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.310800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.310800 (E_RNA)
where:
Base-Base interactions energy: -319.918
where: short stacking energy: -142.630
Base-Backbone interact. energy: -1.079
local terms energy: -184.313656
where:
bonds (distance) C4'-P energy: -35.790
bonds (distance) P-C4' energy: -40.673
flat angles C4'-P-C4' energy: -34.667
flat angles P-C4'-P energy: -26.751
tors. eta vs tors. theta energy: -46.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -248.223116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.223116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.223116 (E_RNA)
where:
Base-Base interactions energy: -110.662
where: short stacking energy: -64.679
Base-Backbone interact. energy: 0.796
local terms energy: -138.357253
where:
bonds (distance) C4'-P energy: -36.807
bonds (distance) P-C4' energy: -41.436
flat angles C4'-P-C4' energy: -30.942
flat angles P-C4'-P energy: -24.994
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: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -183.996296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.996296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.996296 (E_RNA)
where:
Base-Base interactions energy: -75.404
where: short stacking energy: -54.956
Base-Backbone interact. energy: 6.046
local terms energy: -114.638385
where:
bonds (distance) C4'-P energy: -40.195
bonds (distance) P-C4' energy: -37.538
flat angles C4'-P-C4' energy: -27.553
flat angles P-C4'-P energy: -4.798
tors. eta vs tors. theta energy: -4.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -177.691367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.691367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.691367 (E_RNA)
where:
Base-Base interactions energy: -71.110
where: short stacking energy: -70.740
Base-Backbone interact. energy: -0.250
local terms energy: -106.331419
where:
bonds (distance) C4'-P energy: -28.681
bonds (distance) P-C4' energy: -32.889
flat angles C4'-P-C4' energy: -26.316
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -7.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -639.764338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.764338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.764338 (E_RNA)
where:
Base-Base interactions energy: -423.749
where: short stacking energy: -196.425
Base-Backbone interact. energy: -0.051
local terms energy: -215.964308
where:
bonds (distance) C4'-P energy: -39.396
bonds (distance) P-C4' energy: -38.041
flat angles C4'-P-C4' energy: -38.998
flat angles P-C4'-P energy: -31.931
tors. eta vs tors. theta energy: -67.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -630.881434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.881434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.881434 (E_RNA)
where:
Base-Base interactions energy: -426.558
where: short stacking energy: -179.011
Base-Backbone interact. energy: -0.806
local terms energy: -203.516631
where:
bonds (distance) C4'-P energy: -37.174
bonds (distance) P-C4' energy: -42.394
flat angles C4'-P-C4' energy: -40.355
flat angles P-C4'-P energy: -27.570
tors. eta vs tors. theta energy: -56.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -611.427275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.427275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.427275 (E_RNA)
where:
Base-Base interactions energy: -419.908
where: short stacking energy: -173.477
Base-Backbone interact. energy: -0.792
local terms energy: -190.727123
where:
bonds (distance) C4'-P energy: -35.869
bonds (distance) P-C4' energy: -34.619
flat angles C4'-P-C4' energy: -43.949
flat angles P-C4'-P energy: -25.195
tors. eta vs tors. theta energy: -51.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -570.349160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.349160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.349160 (E_RNA)
where:
Base-Base interactions energy: -371.363
where: short stacking energy: -171.574
Base-Backbone interact. energy: -1.549
local terms energy: -197.436741
where:
bonds (distance) C4'-P energy: -25.989
bonds (distance) P-C4' energy: -43.029
flat angles C4'-P-C4' energy: -45.201
flat angles P-C4'-P energy: -28.928
tors. eta vs tors. theta energy: -54.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -565.805308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.805308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.805308 (E_RNA)
where:
Base-Base interactions energy: -400.615
where: short stacking energy: -168.196
Base-Backbone interact. energy: -0.841
local terms energy: -164.349174
where:
bonds (distance) C4'-P energy: -19.981
bonds (distance) P-C4' energy: -38.477
flat angles C4'-P-C4' energy: -38.114
flat angles P-C4'-P energy: -24.638
tors. eta vs tors. theta energy: -43.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -485.181258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.181258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.181258 (E_RNA)
where:
Base-Base interactions energy: -295.194
where: short stacking energy: -154.060
Base-Backbone interact. energy: -1.021
local terms energy: -188.966886
where:
bonds (distance) C4'-P energy: -40.941
bonds (distance) P-C4' energy: -41.201
flat angles C4'-P-C4' energy: -37.262
flat angles P-C4'-P energy: -22.021
tors. eta vs tors. theta energy: -47.541
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: 2
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -481.700274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.700274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.700274 (E_RNA)
where:
Base-Base interactions energy: -299.289
where: short stacking energy: -149.219
Base-Backbone interact. energy: -0.246
local terms energy: -182.164281
where:
bonds (distance) C4'-P energy: -33.752
bonds (distance) P-C4' energy: -33.328
flat angles C4'-P-C4' energy: -42.251
flat angles P-C4'-P energy: -23.285
tors. eta vs tors. theta energy: -49.549
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: 6
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -238.528013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.528013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.528013 (E_RNA)
where:
Base-Base interactions energy: -123.534
where: short stacking energy: -51.032
Base-Backbone interact. energy: -0.360
local terms energy: -114.633698
where:
bonds (distance) C4'-P energy: -33.025
bonds (distance) P-C4' energy: -33.501
flat angles C4'-P-C4' energy: -24.606
flat angles P-C4'-P energy: -17.071
tors. eta vs tors. theta energy: -6.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -171.843327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.843327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.843327 (E_RNA)
where:
Base-Base interactions energy: -63.419
where: short stacking energy: -55.168
Base-Backbone interact. energy: -2.145
local terms energy: -106.278921
where:
bonds (distance) C4'-P energy: -27.980
bonds (distance) P-C4' energy: -29.878
flat angles C4'-P-C4' energy: -38.300
flat angles P-C4'-P energy: -15.433
tors. eta vs tors. theta energy: 5.312
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: 10
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -161.270029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.270029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.270029 (E_RNA)
where:
Base-Base interactions energy: -49.070
where: short stacking energy: -44.509
Base-Backbone interact. energy: 1.943
local terms energy: -114.143818
where:
bonds (distance) C4'-P energy: -31.395
bonds (distance) P-C4' energy: -36.855
flat angles C4'-P-C4' energy: -27.418
flat angles P-C4'-P energy: -19.143
tors. eta vs tors. theta energy: 0.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -649.408297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.408297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.408297 (E_RNA)
where:
Base-Base interactions energy: -444.713
where: short stacking energy: -181.426
Base-Backbone interact. energy: -2.059
local terms energy: -202.636465
where:
bonds (distance) C4'-P energy: -38.772
bonds (distance) P-C4' energy: -39.140
flat angles C4'-P-C4' energy: -44.352
flat angles P-C4'-P energy: -31.057
tors. eta vs tors. theta energy: -49.315
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: 7
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -648.503226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.503226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.503226 (E_RNA)
where:
Base-Base interactions energy: -407.444
where: short stacking energy: -200.186
Base-Backbone interact. energy: -0.568
local terms energy: -240.492047
where:
bonds (distance) C4'-P energy: -46.674
bonds (distance) P-C4' energy: -41.377
flat angles C4'-P-C4' energy: -52.546
flat angles P-C4'-P energy: -32.495
tors. eta vs tors. theta energy: -67.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -596.352579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.352579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.352579 (E_RNA)
where:
Base-Base interactions energy: -400.662
where: short stacking energy: -173.010
Base-Backbone interact. energy: 1.679
local terms energy: -197.369054
where:
bonds (distance) C4'-P energy: -39.461
bonds (distance) P-C4' energy: -38.898
flat angles C4'-P-C4' energy: -43.774
flat angles P-C4'-P energy: -23.561
tors. eta vs tors. theta energy: -51.674
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: 192
Temperature: 1.050000
Total energy: -608.182217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.182217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.182217 (E_RNA)
where:
Base-Base interactions energy: -411.738
where: short stacking energy: -175.690
Base-Backbone interact. energy: 1.437
local terms energy: -197.881171
where:
bonds (distance) C4'-P energy: -36.589
bonds (distance) P-C4' energy: -41.110
flat angles C4'-P-C4' energy: -39.939
flat angles P-C4'-P energy: -28.815
tors. eta vs tors. theta energy: -51.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -554.696607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.696607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.696607 (E_RNA)
where:
Base-Base interactions energy: -374.584
where: short stacking energy: -150.531
Base-Backbone interact. energy: -0.839
local terms energy: -179.272899
where:
bonds (distance) C4'-P energy: -36.274
bonds (distance) P-C4' energy: -34.219
flat angles C4'-P-C4' energy: -36.052
flat angles P-C4'-P energy: -28.361
tors. eta vs tors. theta energy: -44.368
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: 4
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -465.755296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.755296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.755296 (E_RNA)
where:
Base-Base interactions energy: -293.705
where: short stacking energy: -133.973
Base-Backbone interact. energy: -0.780
local terms energy: -171.270550
where:
bonds (distance) C4'-P energy: -37.372
bonds (distance) P-C4' energy: -36.724
flat angles C4'-P-C4' energy: -32.530
flat angles P-C4'-P energy: -24.317
tors. eta vs tors. theta energy: -40.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -471.884767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.884767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.884767 (E_RNA)
where:
Base-Base interactions energy: -306.827
where: short stacking energy: -126.357
Base-Backbone interact. energy: 0.235
local terms energy: -165.292829
where:
bonds (distance) C4'-P energy: -40.185
bonds (distance) P-C4' energy: -32.706
flat angles C4'-P-C4' energy: -40.776
flat angles P-C4'-P energy: -18.849
tors. eta vs tors. theta energy: -32.777
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: 8, replica: 6
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -257.761599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.761599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.761599 (E_RNA)
where:
Base-Base interactions energy: -141.645
where: short stacking energy: -69.826
Base-Backbone interact. energy: -1.217
local terms energy: -114.899696
where:
bonds (distance) C4'-P energy: -32.292
bonds (distance) P-C4' energy: -37.779
flat angles C4'-P-C4' energy: -32.101
flat angles P-C4'-P energy: -5.393
tors. eta vs tors. theta energy: -7.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -180.997464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.997464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.997464 (E_RNA)
where:
Base-Base interactions energy: -64.032
where: short stacking energy: -42.437
Base-Backbone interact. energy: -1.389
local terms energy: -115.576613
where:
bonds (distance) C4'-P energy: -34.538
bonds (distance) P-C4' energy: -35.015
flat angles C4'-P-C4' energy: -27.029
flat angles P-C4'-P energy: -24.320
tors. eta vs tors. theta energy: 5.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -193.927763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.927763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.927763 (E_RNA)
where:
Base-Base interactions energy: -63.907
where: short stacking energy: -57.829
Base-Backbone interact. energy: 0.279
local terms energy: -130.299459
where:
bonds (distance) C4'-P energy: -31.509
bonds (distance) P-C4' energy: -36.244
flat angles C4'-P-C4' energy: -39.881
flat angles P-C4'-P energy: -25.031
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: 5
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -632.968864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.968864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.968864 (E_RNA)
where:
Base-Base interactions energy: -432.001
where: short stacking energy: -185.454
Base-Backbone interact. energy: -1.427
local terms energy: -199.540603
where:
bonds (distance) C4'-P energy: -38.655
bonds (distance) P-C4' energy: -37.618
flat angles C4'-P-C4' energy: -44.603
flat angles P-C4'-P energy: -29.727
tors. eta vs tors. theta energy: -48.937
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: 7
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -641.803116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.803116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.803116 (E_RNA)
where:
Base-Base interactions energy: -419.469
where: short stacking energy: -199.426
Base-Backbone interact. energy: -0.699
local terms energy: -221.635313
where:
bonds (distance) C4'-P energy: -42.591
bonds (distance) P-C4' energy: -36.166
flat angles C4'-P-C4' energy: -49.443
flat angles P-C4'-P energy: -33.511
tors. eta vs tors. theta energy: -59.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -616.755749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.755749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.755749 (E_RNA)
where:
Base-Base interactions energy: -404.471
where: short stacking energy: -186.226
Base-Backbone interact. energy: -0.619
local terms energy: -211.666358
where:
bonds (distance) C4'-P energy: -38.381
bonds (distance) P-C4' energy: -37.349
flat angles C4'-P-C4' energy: -41.183
flat angles P-C4'-P energy: -33.904
tors. eta vs tors. theta energy: -60.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -601.529606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.529606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.529606 (E_RNA)
where:
Base-Base interactions energy: -394.860
where: short stacking energy: -169.850
Base-Backbone interact. energy: -0.174
local terms energy: -206.495533
where:
bonds (distance) C4'-P energy: -38.213
bonds (distance) P-C4' energy: -37.175
flat angles C4'-P-C4' energy: -43.701
flat angles P-C4'-P energy: -27.567
tors. eta vs tors. theta energy: -59.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -571.661740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.661740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.661740 (E_RNA)
where:
Base-Base interactions energy: -402.071
where: short stacking energy: -159.310
Base-Backbone interact. energy: -1.078
local terms energy: -168.513247
where:
bonds (distance) C4'-P energy: -30.937
bonds (distance) P-C4' energy: -30.288
flat angles C4'-P-C4' energy: -37.627
flat angles P-C4'-P energy: -21.507
tors. eta vs tors. theta energy: -48.154
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: 193
Temperature: 1.150000
Total energy: -516.987161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.987161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.987161 (E_RNA)
where:
Base-Base interactions energy: -327.493
where: short stacking energy: -152.664
Base-Backbone interact. energy: 1.705
local terms energy: -191.199218
where:
bonds (distance) C4'-P energy: -41.161
bonds (distance) P-C4' energy: -35.718
flat angles C4'-P-C4' energy: -37.402
flat angles P-C4'-P energy: -26.992
tors. eta vs tors. theta energy: -49.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -414.818305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.818305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.818305 (E_RNA)
where:
Base-Base interactions energy: -246.811
where: short stacking energy: -125.545
Base-Backbone interact. energy: -0.112
local terms energy: -167.894445
where:
bonds (distance) C4'-P energy: -33.775
bonds (distance) P-C4' energy: -29.501
flat angles C4'-P-C4' energy: -40.861
flat angles P-C4'-P energy: -23.879
tors. eta vs tors. theta energy: -39.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -257.534060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.534060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.534060 (E_RNA)
where:
Base-Base interactions energy: -131.534
where: short stacking energy: -57.470
Base-Backbone interact. energy: 0.591
local terms energy: -126.591733
where:
bonds (distance) C4'-P energy: -30.800
bonds (distance) P-C4' energy: -42.031
flat angles C4'-P-C4' energy: -31.982
flat angles P-C4'-P energy: -18.633
tors. eta vs tors. theta energy: -3.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -181.573884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.573884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.573884 (E_RNA)
where:
Base-Base interactions energy: -65.903
where: short stacking energy: -60.545
Base-Backbone interact. energy: -0.292
local terms energy: -115.378649
where:
bonds (distance) C4'-P energy: -34.268
bonds (distance) P-C4' energy: -35.900
flat angles C4'-P-C4' energy: -24.836
flat angles P-C4'-P energy: -12.267
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: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -182.914232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.914232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.914232 (E_RNA)
where:
Base-Base interactions energy: -58.136
where: short stacking energy: -43.015
Base-Backbone interact. energy: -1.135
local terms energy: -123.643051
where:
bonds (distance) C4'-P energy: -39.066
bonds (distance) P-C4' energy: -34.271
flat angles C4'-P-C4' energy: -35.855
flat angles P-C4'-P energy: -23.137
tors. eta vs tors. theta energy: 8.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -652.507120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.507120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.507120 (E_RNA)
where:
Base-Base interactions energy: -434.156
where: short stacking energy: -192.346
Base-Backbone interact. energy: -0.787
local terms energy: -217.563962
where:
bonds (distance) C4'-P energy: -39.890
bonds (distance) P-C4' energy: -42.258
flat angles C4'-P-C4' energy: -43.345
flat angles P-C4'-P energy: -31.690
tors. eta vs tors. theta energy: -60.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -635.625879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.625879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.625879 (E_RNA)
where:
Base-Base interactions energy: -425.262
where: short stacking energy: -185.626
Base-Backbone interact. energy: -0.439
local terms energy: -209.924109
where:
bonds (distance) C4'-P energy: -39.791
bonds (distance) P-C4' energy: -37.641
flat angles C4'-P-C4' energy: -40.515
flat angles P-C4'-P energy: -32.051
tors. eta vs tors. theta energy: -59.927
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: 9
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -613.071041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.071041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.071041 (E_RNA)
where:
Base-Base interactions energy: -414.860
where: short stacking energy: -183.536
Base-Backbone interact. energy: -0.130
local terms energy: -198.080829
where:
bonds (distance) C4'-P energy: -36.997
bonds (distance) P-C4' energy: -38.781
flat angles C4'-P-C4' energy: -35.791
flat angles P-C4'-P energy: -27.143
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: 4, replica: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -589.513540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.513540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.513540 (E_RNA)
where:
Base-Base interactions energy: -387.040
where: short stacking energy: -164.987
Base-Backbone interact. energy: -0.242
local terms energy: -202.231173
where:
bonds (distance) C4'-P energy: -32.816
bonds (distance) P-C4' energy: -34.499
flat angles C4'-P-C4' energy: -40.977
flat angles P-C4'-P energy: -43.223
tors. eta vs tors. theta energy: -50.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -554.101602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.101602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.101602 (E_RNA)
where:
Base-Base interactions energy: -384.447
where: short stacking energy: -154.458
Base-Backbone interact. energy: -1.406
local terms energy: -168.248984
where:
bonds (distance) C4'-P energy: -33.148
bonds (distance) P-C4' energy: -32.254
flat angles C4'-P-C4' energy: -35.905
flat angles P-C4'-P energy: -19.700
tors. eta vs tors. theta energy: -47.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -551.450093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.450093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.450093 (E_RNA)
where:
Base-Base interactions energy: -367.148
where: short stacking energy: -162.336
Base-Backbone interact. energy: 0.231
local terms energy: -184.533491
where:
bonds (distance) C4'-P energy: -26.226
bonds (distance) P-C4' energy: -37.861
flat angles C4'-P-C4' energy: -42.675
flat angles P-C4'-P energy: -24.645
tors. eta vs tors. theta energy: -53.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -426.748687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.748687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.748687 (E_RNA)
where:
Base-Base interactions energy: -266.211
where: short stacking energy: -125.304
Base-Backbone interact. energy: -0.052
local terms energy: -160.485723
where:
bonds (distance) C4'-P energy: -33.785
bonds (distance) P-C4' energy: -29.711
flat angles C4'-P-C4' energy: -30.926
flat angles P-C4'-P energy: -23.197
tors. eta vs tors. theta energy: -42.867
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: 6
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -245.313842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.313842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.313842 (E_RNA)
where:
Base-Base interactions energy: -103.987
where: short stacking energy: -65.847
Base-Backbone interact. energy: -0.640
local terms energy: -140.686860
where:
bonds (distance) C4'-P energy: -26.637
bonds (distance) P-C4' energy: -38.927
flat angles C4'-P-C4' energy: -38.488
flat angles P-C4'-P energy: -26.046
tors. eta vs tors. theta energy: -10.589
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: 10
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -185.081499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.081499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.081499 (E_RNA)
where:
Base-Base interactions energy: -74.493
where: short stacking energy: -57.708
Base-Backbone interact. energy: -1.406
local terms energy: -109.182992
where:
bonds (distance) C4'-P energy: -30.584
bonds (distance) P-C4' energy: -28.682
flat angles C4'-P-C4' energy: -34.567
flat angles P-C4'-P energy: -18.841
tors. eta vs tors. theta energy: 3.490
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: 8
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -175.128134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.128134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.128134 (E_RNA)
where:
Base-Base interactions energy: -48.104
where: short stacking energy: -42.219
Base-Backbone interact. energy: -0.728
local terms energy: -126.295982
where:
bonds (distance) C4'-P energy: -39.898
bonds (distance) P-C4' energy: -43.142
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -25.746
tors. eta vs tors. theta energy: -1.874
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: 7
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -636.425217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.425217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.425217 (E_RNA)
where:
Base-Base interactions energy: -421.928
where: short stacking energy: -196.190
Base-Backbone interact. energy: -0.445
local terms energy: -214.052289
where:
bonds (distance) C4'-P energy: -40.413
bonds (distance) P-C4' energy: -36.980
flat angles C4'-P-C4' energy: -41.367
flat angles P-C4'-P energy: -34.290
tors. eta vs tors. theta energy: -61.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -643.106900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.106900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.106900 (E_RNA)
where:
Base-Base interactions energy: -437.341
where: short stacking energy: -185.360
Base-Backbone interact. energy: -1.363
local terms energy: -204.402282
where:
bonds (distance) C4'-P energy: -36.393
bonds (distance) P-C4' energy: -34.364
flat angles C4'-P-C4' energy: -41.352
flat angles P-C4'-P energy: -33.131
tors. eta vs tors. theta energy: -59.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -610.696342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.696342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.696342 (E_RNA)
where:
Base-Base interactions energy: -402.612
where: short stacking energy: -180.737
Base-Backbone interact. energy: 1.908
local terms energy: -209.992527
where:
bonds (distance) C4'-P energy: -36.627
bonds (distance) P-C4' energy: -42.029
flat angles C4'-P-C4' energy: -43.825
flat angles P-C4'-P energy: -24.008
tors. eta vs tors. theta energy: -63.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -587.217170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.217170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.217170 (E_RNA)
where:
Base-Base interactions energy: -391.380
where: short stacking energy: -168.904
Base-Backbone interact. energy: -1.097
local terms energy: -194.740663
where:
bonds (distance) C4'-P energy: -32.232
bonds (distance) P-C4' energy: -40.897
flat angles C4'-P-C4' energy: -36.030
flat angles P-C4'-P energy: -34.216
tors. eta vs tors. theta energy: -51.367
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: 3
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -580.927316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.927316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.927316 (E_RNA)
where:
Base-Base interactions energy: -389.562
where: short stacking energy: -162.439
Base-Backbone interact. energy: 4.231
local terms energy: -195.595620
where:
bonds (distance) C4'-P energy: -27.665
bonds (distance) P-C4' energy: -41.734
flat angles C4'-P-C4' energy: -44.954
flat angles P-C4'-P energy: -26.625
tors. eta vs tors. theta energy: -54.617
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: 195
Temperature: 1.150000
Total energy: -517.049363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.049363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.049363 (E_RNA)
where:
Base-Base interactions energy: -332.630
where: short stacking energy: -148.524
Base-Backbone interact. energy: -0.192
local terms energy: -184.227100
where:
bonds (distance) C4'-P energy: -34.942
bonds (distance) P-C4' energy: -38.076
flat angles C4'-P-C4' energy: -42.963
flat angles P-C4'-P energy: -22.509
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: 7, replica: 4
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -434.671593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.671593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.671593 (E_RNA)
where:
Base-Base interactions energy: -278.697
where: short stacking energy: -130.985
Base-Backbone interact. energy: 0.511
local terms energy: -156.485397
where:
bonds (distance) C4'-P energy: -36.175
bonds (distance) P-C4' energy: -30.947
flat angles C4'-P-C4' energy: -23.729
flat angles P-C4'-P energy: -24.645
tors. eta vs tors. theta energy: -40.989
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: 6
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -239.338821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.338821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.338821 (E_RNA)
where:
Base-Base interactions energy: -103.871
where: short stacking energy: -67.231
Base-Backbone interact. energy: 0.350
local terms energy: -135.818023
where:
bonds (distance) C4'-P energy: -36.607
bonds (distance) P-C4' energy: -39.831
flat angles C4'-P-C4' energy: -33.709
flat angles P-C4'-P energy: -19.207
tors. eta vs tors. theta energy: -6.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -180.089135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.089135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.089135 (E_RNA)
where:
Base-Base interactions energy: -85.127
where: short stacking energy: -66.028
Base-Backbone interact. energy: 1.196
local terms energy: -96.158343
where:
bonds (distance) C4'-P energy: -31.416
bonds (distance) P-C4' energy: -24.964
flat angles C4'-P-C4' energy: -25.516
flat angles P-C4'-P energy: -14.873
tors. eta vs tors. theta energy: 0.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -193.426311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.426311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.426311 (E_RNA)
where:
Base-Base interactions energy: -70.702
where: short stacking energy: -64.032
Base-Backbone interact. energy: 0.142
local terms energy: -122.867072
where:
bonds (distance) C4'-P energy: -22.896
bonds (distance) P-C4' energy: -40.540
flat angles C4'-P-C4' energy: -32.510
flat angles P-C4'-P energy: -19.557
tors. eta vs tors. theta energy: -7.364
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: 7
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -656.688484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.688484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.688484 (E_RNA)
where:
Base-Base interactions energy: -438.836
where: short stacking energy: -212.607
Base-Backbone interact. energy: -0.643
local terms energy: -217.209372
where:
bonds (distance) C4'-P energy: -37.508
bonds (distance) P-C4' energy: -36.584
flat angles C4'-P-C4' energy: -45.447
flat angles P-C4'-P energy: -32.528
tors. eta vs tors. theta energy: -65.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -624.119086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.119086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.119086 (E_RNA)
where:
Base-Base interactions energy: -426.618
where: short stacking energy: -166.769
Base-Backbone interact. energy: -0.728
local terms energy: -196.772830
where:
bonds (distance) C4'-P energy: -35.970
bonds (distance) P-C4' energy: -40.677
flat angles C4'-P-C4' energy: -44.619
flat angles P-C4'-P energy: -24.009
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: 3, replica: 1
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -605.617426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.617426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.617426 (E_RNA)
where:
Base-Base interactions energy: -406.458
where: short stacking energy: -169.752
Base-Backbone interact. energy: -0.164
local terms energy: -198.995196
where:
bonds (distance) C4'-P energy: -39.755
bonds (distance) P-C4' energy: -37.609
flat angles C4'-P-C4' energy: -40.515
flat angles P-C4'-P energy: -28.267
tors. eta vs tors. theta energy: -52.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -600.265745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.265745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.265745 (E_RNA)
where:
Base-Base interactions energy: -400.494
where: short stacking energy: -173.049
Base-Backbone interact. energy: -0.457
local terms energy: -199.315370
where:
bonds (distance) C4'-P energy: -26.766
bonds (distance) P-C4' energy: -44.538
flat angles C4'-P-C4' energy: -41.908
flat angles P-C4'-P energy: -31.975
tors. eta vs tors. theta energy: -54.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -582.442178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.442178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.442178 (E_RNA)
where:
Base-Base interactions energy: -391.657
where: short stacking energy: -175.463
Base-Backbone interact. energy: 0.173
local terms energy: -190.958276
where:
bonds (distance) C4'-P energy: -28.490
bonds (distance) P-C4' energy: -32.508
flat angles C4'-P-C4' energy: -40.072
flat angles P-C4'-P energy: -34.788
tors. eta vs tors. theta energy: -55.100
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: 196
Temperature: 1.150000
Total energy: -511.836807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.836807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.836807 (E_RNA)
where:
Base-Base interactions energy: -329.157
where: short stacking energy: -149.596
Base-Backbone interact. energy: -0.185
local terms energy: -182.495177
where:
bonds (distance) C4'-P energy: -35.779
bonds (distance) P-C4' energy: -40.209
flat angles C4'-P-C4' energy: -29.979
flat angles P-C4'-P energy: -23.796
tors. eta vs tors. theta energy: -52.732
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: 4
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -442.409214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.409214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.409214 (E_RNA)
where:
Base-Base interactions energy: -284.798
where: short stacking energy: -140.040
Base-Backbone interact. energy: -0.426
local terms energy: -157.185320
where:
bonds (distance) C4'-P energy: -32.277
bonds (distance) P-C4' energy: -33.894
flat angles C4'-P-C4' energy: -34.666
flat angles P-C4'-P energy: -15.182
tors. eta vs tors. theta energy: -41.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -214.576449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.576449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.576449 (E_RNA)
where:
Base-Base interactions energy: -91.175
where: short stacking energy: -76.747
Base-Backbone interact. energy: -0.197
local terms energy: -123.204270
where:
bonds (distance) C4'-P energy: -35.515
bonds (distance) P-C4' energy: -28.852
flat angles C4'-P-C4' energy: -28.294
flat angles P-C4'-P energy: -20.142
tors. eta vs tors. theta energy: -10.401
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: 8
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -191.192914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.192914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.192914 (E_RNA)
where:
Base-Base interactions energy: -69.113
where: short stacking energy: -62.058
Base-Backbone interact. energy: 2.204
local terms energy: -124.284071
where:
bonds (distance) C4'-P energy: -25.088
bonds (distance) P-C4' energy: -31.887
flat angles C4'-P-C4' energy: -35.067
flat angles P-C4'-P energy: -19.640
tors. eta vs tors. theta energy: -12.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -175.911834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.911834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.911834 (E_RNA)
where:
Base-Base interactions energy: -49.414
where: short stacking energy: -43.450
Base-Backbone interact. energy: 0.463
local terms energy: -126.960606
where:
bonds (distance) C4'-P energy: -39.712
bonds (distance) P-C4' energy: -37.843
flat angles C4'-P-C4' energy: -26.673
flat angles P-C4'-P energy: -23.424
tors. eta vs tors. theta energy: 0.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -640.732177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.732177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.732177 (E_RNA)
where:
Base-Base interactions energy: -420.452
where: short stacking energy: -200.279
Base-Backbone interact. energy: -1.907
local terms energy: -218.373021
where:
bonds (distance) C4'-P energy: -41.149
bonds (distance) P-C4' energy: -42.411
flat angles C4'-P-C4' energy: -41.347
flat angles P-C4'-P energy: -31.477
tors. eta vs tors. theta energy: -61.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -634.769412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.769412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.769412 (E_RNA)
where:
Base-Base interactions energy: -426.880
where: short stacking energy: -188.004
Base-Backbone interact. energy: -0.462
local terms energy: -207.426526
where:
bonds (distance) C4'-P energy: -37.975
bonds (distance) P-C4' energy: -39.347
flat angles C4'-P-C4' energy: -42.372
flat angles P-C4'-P energy: -34.678
tors. eta vs tors. theta energy: -53.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -588.668534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.668534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.668534 (E_RNA)
where:
Base-Base interactions energy: -399.632
where: short stacking energy: -174.204
Base-Backbone interact. energy: -0.857
local terms energy: -188.180109
where:
bonds (distance) C4'-P energy: -39.039
bonds (distance) P-C4' energy: -33.397
flat angles C4'-P-C4' energy: -36.878
flat angles P-C4'-P energy: -27.856
tors. eta vs tors. theta energy: -51.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -598.832262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.832262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.832262 (E_RNA)
where:
Base-Base interactions energy: -409.121
where: short stacking energy: -169.306
Base-Backbone interact. energy: 1.385
local terms energy: -191.095790
where:
bonds (distance) C4'-P energy: -44.156
bonds (distance) P-C4' energy: -27.956
flat angles C4'-P-C4' energy: -43.656
flat angles P-C4'-P energy: -25.220
tors. eta vs tors. theta energy: -50.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -580.297657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.297657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.297657 (E_RNA)
where:
Base-Base interactions energy: -385.237
where: short stacking energy: -175.091
Base-Backbone interact. energy: -0.234
local terms energy: -194.826555
where:
bonds (distance) C4'-P energy: -34.245
bonds (distance) P-C4' energy: -41.913
flat angles C4'-P-C4' energy: -38.302
flat angles P-C4'-P energy: -29.405
tors. eta vs tors. theta energy: -50.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -512.349116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.349116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.349116 (E_RNA)
where:
Base-Base interactions energy: -347.119
where: short stacking energy: -144.353
Base-Backbone interact. energy: -0.665
local terms energy: -164.565357
where:
bonds (distance) C4'-P energy: -29.573
bonds (distance) P-C4' energy: -34.561
flat angles C4'-P-C4' energy: -35.052
flat angles P-C4'-P energy: -19.994
tors. eta vs tors. theta energy: -45.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -372.060541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.060541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.060541 (E_RNA)
where:
Base-Base interactions energy: -224.072
where: short stacking energy: -109.028
Base-Backbone interact. energy: 1.116
local terms energy: -149.104454
where:
bonds (distance) C4'-P energy: -30.065
bonds (distance) P-C4' energy: -42.229
flat angles C4'-P-C4' energy: -34.929
flat angles P-C4'-P energy: -23.616
tors. eta vs tors. theta energy: -18.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -200.825946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.825946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.825946 (E_RNA)
where:
Base-Base interactions energy: -74.613
where: short stacking energy: -58.408
Base-Backbone interact. energy: -1.319
local terms energy: -124.894218
where:
bonds (distance) C4'-P energy: -37.689
bonds (distance) P-C4' energy: -30.005
flat angles C4'-P-C4' energy: -30.647
flat angles P-C4'-P energy: -21.545
tors. eta vs tors. theta energy: -5.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -185.906963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.906963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.906963 (E_RNA)
where:
Base-Base interactions energy: -59.794
where: short stacking energy: -44.580
Base-Backbone interact. energy: 1.632
local terms energy: -127.745362
where:
bonds (distance) C4'-P energy: -36.816
bonds (distance) P-C4' energy: -40.039
flat angles C4'-P-C4' energy: -27.940
flat angles P-C4'-P energy: -24.049
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: 10
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -160.726792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.726792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.726792 (E_RNA)
where:
Base-Base interactions energy: -47.380
where: short stacking energy: -33.574
Base-Backbone interact. energy: 2.877
local terms energy: -116.223502
where:
bonds (distance) C4'-P energy: -31.701
bonds (distance) P-C4' energy: -45.134
flat angles C4'-P-C4' energy: -27.688
flat angles P-C4'-P energy: -19.870
tors. eta vs tors. theta energy: 8.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -644.604924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.604924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.604924 (E_RNA)
where:
Base-Base interactions energy: -420.308
where: short stacking energy: -200.566
Base-Backbone interact. energy: -0.157
local terms energy: -224.140077
where:
bonds (distance) C4'-P energy: -42.017
bonds (distance) P-C4' energy: -38.758
flat angles C4'-P-C4' energy: -45.014
flat angles P-C4'-P energy: -33.743
tors. eta vs tors. theta energy: -64.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -638.105797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.105797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.105797 (E_RNA)
where:
Base-Base interactions energy: -426.950
where: short stacking energy: -192.262
Base-Backbone interact. energy: 0.565
local terms energy: -211.721648
where:
bonds (distance) C4'-P energy: -38.198
bonds (distance) P-C4' energy: -34.681
flat angles C4'-P-C4' energy: -44.833
flat angles P-C4'-P energy: -29.045
tors. eta vs tors. theta energy: -64.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -615.280315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.280315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.280315 (E_RNA)
where:
Base-Base interactions energy: -415.641
where: short stacking energy: -175.117
Base-Backbone interact. energy: -0.211
local terms energy: -199.428220
where:
bonds (distance) C4'-P energy: -42.474
bonds (distance) P-C4' energy: -36.427
flat angles C4'-P-C4' energy: -42.197
flat angles P-C4'-P energy: -22.655
tors. eta vs tors. theta energy: -55.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -591.764911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.764911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.764911 (E_RNA)
where:
Base-Base interactions energy: -390.599
where: short stacking energy: -187.178
Base-Backbone interact. energy: -0.682
local terms energy: -200.484117
where:
bonds (distance) C4'-P energy: -34.356
bonds (distance) P-C4' energy: -41.956
flat angles C4'-P-C4' energy: -38.939
flat angles P-C4'-P energy: -30.219
tors. eta vs tors. theta energy: -55.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -595.549042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.549042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.549042 (E_RNA)
where:
Base-Base interactions energy: -402.512
where: short stacking energy: -176.731
Base-Backbone interact. energy: -0.022
local terms energy: -193.016016
where:
bonds (distance) C4'-P energy: -29.629
bonds (distance) P-C4' energy: -41.562
flat angles C4'-P-C4' energy: -43.644
flat angles P-C4'-P energy: -24.211
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: 6, replica: 2
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -520.024091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.024091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.024091 (E_RNA)
where:
Base-Base interactions energy: -349.010
where: short stacking energy: -149.326
Base-Backbone interact. energy: -0.629
local terms energy: -170.385286
where:
bonds (distance) C4'-P energy: -30.716
bonds (distance) P-C4' energy: -19.896
flat angles C4'-P-C4' energy: -44.569
flat angles P-C4'-P energy: -29.417
tors. eta vs tors. theta energy: -45.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -398.205384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.205384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.205384 (E_RNA)
where:
Base-Base interactions energy: -245.770
where: short stacking energy: -122.117
Base-Backbone interact. energy: 1.004
local terms energy: -153.440123
where:
bonds (distance) C4'-P energy: -33.952
bonds (distance) P-C4' energy: -32.072
flat angles C4'-P-C4' energy: -41.758
flat angles P-C4'-P energy: -21.644
tors. eta vs tors. theta energy: -24.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -223.732648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.732648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.732648 (E_RNA)
where:
Base-Base interactions energy: -98.790
where: short stacking energy: -69.320
Base-Backbone interact. energy: 0.829
local terms energy: -125.771379
where:
bonds (distance) C4'-P energy: -32.401
bonds (distance) P-C4' energy: -35.173
flat angles C4'-P-C4' energy: -33.376
flat angles P-C4'-P energy: -18.684
tors. eta vs tors. theta energy: -6.138
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: 9, replica: 10
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -179.218474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.218474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.218474 (E_RNA)
where:
Base-Base interactions energy: -63.177
where: short stacking energy: -44.444
Base-Backbone interact. energy: 0.439
local terms energy: -116.480322
where:
bonds (distance) C4'-P energy: -20.080
bonds (distance) P-C4' energy: -40.137
flat angles C4'-P-C4' energy: -24.084
flat angles P-C4'-P energy: -29.672
tors. eta vs tors. theta energy: -2.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -189.714403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.714403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.714403 (E_RNA)
where:
Base-Base interactions energy: -75.953
where: short stacking energy: -44.219
Base-Backbone interact. energy: 1.361
local terms energy: -115.122613
where:
bonds (distance) C4'-P energy: -35.187
bonds (distance) P-C4' energy: -30.007
flat angles C4'-P-C4' energy: -33.748
flat angles P-C4'-P energy: -23.656
tors. eta vs tors. theta energy: 7.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -655.746430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.746430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.746430 (E_RNA)
where:
Base-Base interactions energy: -436.607
where: short stacking energy: -207.457
Base-Backbone interact. energy: -0.548
local terms energy: -218.590825
where:
bonds (distance) C4'-P energy: -34.445
bonds (distance) P-C4' energy: -42.035
flat angles C4'-P-C4' energy: -45.929
flat angles P-C4'-P energy: -30.827
tors. eta vs tors. theta energy: -65.355
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: 9
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -630.898962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.898962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.898962 (E_RNA)
where:
Base-Base interactions energy: -420.316
where: short stacking energy: -187.181
Base-Backbone interact. energy: -0.110
local terms energy: -210.473384
where:
bonds (distance) C4'-P energy: -42.997
bonds (distance) P-C4' energy: -37.156
flat angles C4'-P-C4' energy: -38.068
flat angles P-C4'-P energy: -31.241
tors. eta vs tors. theta energy: -61.011
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: 3, replica: 5
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -627.806711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.806711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.806711 (E_RNA)
where:
Base-Base interactions energy: -424.870
where: short stacking energy: -180.662
Base-Backbone interact. energy: 1.422
local terms energy: -204.359027
where:
bonds (distance) C4'-P energy: -41.357
bonds (distance) P-C4' energy: -43.372
flat angles C4'-P-C4' energy: -38.738
flat angles P-C4'-P energy: -24.838
tors. eta vs tors. theta energy: -56.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -608.376046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.376046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.376046 (E_RNA)
where:
Base-Base interactions energy: -393.198
where: short stacking energy: -170.663
Base-Backbone interact. energy: -1.229
local terms energy: -213.949682
where:
bonds (distance) C4'-P energy: -40.805
bonds (distance) P-C4' energy: -43.311
flat angles C4'-P-C4' energy: -46.440
flat angles P-C4'-P energy: -31.225
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: 1
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -582.008745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.008745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.008745 (E_RNA)
where:
Base-Base interactions energy: -370.702
where: short stacking energy: -166.456
Base-Backbone interact. energy: -0.524
local terms energy: -210.781968
where:
bonds (distance) C4'-P energy: -41.731
bonds (distance) P-C4' energy: -36.385
flat angles C4'-P-C4' energy: -46.980
flat angles P-C4'-P energy: -30.399
tors. eta vs tors. theta energy: -55.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -491.759245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.759245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.759245 (E_RNA)
where:
Base-Base interactions energy: -313.433
where: short stacking energy: -129.905
Base-Backbone interact. energy: -1.541
local terms energy: -176.785141
where:
bonds (distance) C4'-P energy: -34.963
bonds (distance) P-C4' energy: -34.960
flat angles C4'-P-C4' energy: -45.214
flat angles P-C4'-P energy: -27.177
tors. eta vs tors. theta energy: -34.471
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: 4
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -403.256437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.256437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.256437 (E_RNA)
where:
Base-Base interactions energy: -248.597
where: short stacking energy: -118.267
Base-Backbone interact. energy: 0.524
local terms energy: -155.183920
where:
bonds (distance) C4'-P energy: -36.025
bonds (distance) P-C4' energy: -44.060
flat angles C4'-P-C4' energy: -31.423
flat angles P-C4'-P energy: -14.726
tors. eta vs tors. theta energy: -28.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -201.877997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.877997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.877997 (E_RNA)
where:
Base-Base interactions energy: -75.391
where: short stacking energy: -52.147
Base-Backbone interact. energy: 0.814
local terms energy: -127.300797
where:
bonds (distance) C4'-P energy: -37.581
bonds (distance) P-C4' energy: -40.474
flat angles C4'-P-C4' energy: -35.321
flat angles P-C4'-P energy: -17.037
tors. eta vs tors. theta energy: 3.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -171.276827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.276827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.276827 (E_RNA)
where:
Base-Base interactions energy: -60.531
where: short stacking energy: -55.163
Base-Backbone interact. energy: 0.775
local terms energy: -111.520915
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -29.611
flat angles C4'-P-C4' energy: -24.990
flat angles P-C4'-P energy: -25.550
tors. eta vs tors. theta energy: 3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -169.970567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.970567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.970567 (E_RNA)
where:
Base-Base interactions energy: -54.970
where: short stacking energy: -43.757
Base-Backbone interact. energy: -0.639
local terms energy: -114.361460
where:
bonds (distance) C4'-P energy: -33.603
bonds (distance) P-C4' energy: -30.772
flat angles C4'-P-C4' energy: -30.078
flat angles P-C4'-P energy: -27.440
tors. eta vs tors. theta energy: 7.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -638.362344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.362344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.362344 (E_RNA)
where:
Base-Base interactions energy: -416.413
where: short stacking energy: -192.981
Base-Backbone interact. energy: -0.238
local terms energy: -221.710734
where:
bonds (distance) C4'-P energy: -36.391
bonds (distance) P-C4' energy: -41.279
flat angles C4'-P-C4' energy: -48.963
flat angles P-C4'-P energy: -28.279
tors. eta vs tors. theta energy: -66.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -634.183898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.183898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.183898 (E_RNA)
where:
Base-Base interactions energy: -433.087
where: short stacking energy: -180.213
Base-Backbone interact. energy: -0.185
local terms energy: -200.912190
where:
bonds (distance) C4'-P energy: -40.829
bonds (distance) P-C4' energy: -33.096
flat angles C4'-P-C4' energy: -40.955
flat angles P-C4'-P energy: -28.160
tors. eta vs tors. theta energy: -57.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -634.410374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.410374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.410374 (E_RNA)
where:
Base-Base interactions energy: -420.434
where: short stacking energy: -182.205
Base-Backbone interact. energy: 0.508
local terms energy: -214.484270
where:
bonds (distance) C4'-P energy: -36.821
bonds (distance) P-C4' energy: -41.633
flat angles C4'-P-C4' energy: -41.670
flat angles P-C4'-P energy: -30.056
tors. eta vs tors. theta energy: -64.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -607.680555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.680555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.680555 (E_RNA)
where:
Base-Base interactions energy: -400.835
where: short stacking energy: -173.760
Base-Backbone interact. energy: -0.384
local terms energy: -206.460994
where:
bonds (distance) C4'-P energy: -40.376
bonds (distance) P-C4' energy: -40.448
flat angles C4'-P-C4' energy: -39.662
flat angles P-C4'-P energy: -30.924
tors. eta vs tors. theta energy: -55.051
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: 1
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -564.919413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.919413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.919413 (E_RNA)
where:
Base-Base interactions energy: -371.161
where: short stacking energy: -169.386
Base-Backbone interact. energy: -0.349
local terms energy: -193.408884
where:
bonds (distance) C4'-P energy: -41.398
bonds (distance) P-C4' energy: -31.282
flat angles C4'-P-C4' energy: -42.400
flat angles P-C4'-P energy: -28.681
tors. eta vs tors. theta energy: -49.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -495.048062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.048062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.048062 (E_RNA)
where:
Base-Base interactions energy: -322.108
where: short stacking energy: -148.017
Base-Backbone interact. energy: -0.175
local terms energy: -172.764838
where:
bonds (distance) C4'-P energy: -36.751
bonds (distance) P-C4' energy: -32.828
flat angles C4'-P-C4' energy: -38.775
flat angles P-C4'-P energy: -26.535
tors. eta vs tors. theta energy: -37.876
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: 4
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -338.300085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.300085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.300085 (E_RNA)
where:
Base-Base interactions energy: -190.626
where: short stacking energy: -100.311
Base-Backbone interact. energy: 0.542
local terms energy: -148.216236
where:
bonds (distance) C4'-P energy: -35.118
bonds (distance) P-C4' energy: -38.730
flat angles C4'-P-C4' energy: -34.401
flat angles P-C4'-P energy: -19.217
tors. eta vs tors. theta energy: -20.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -214.036716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.036716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.036716 (E_RNA)
where:
Base-Base interactions energy: -80.364
where: short stacking energy: -44.588
Base-Backbone interact. energy: -1.098
local terms energy: -132.574548
where:
bonds (distance) C4'-P energy: -32.517
bonds (distance) P-C4' energy: -47.315
flat angles C4'-P-C4' energy: -31.236
flat angles P-C4'-P energy: -14.778
tors. eta vs tors. theta energy: -6.728
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: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -193.020482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.020482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.020482 (E_RNA)
where:
Base-Base interactions energy: -80.042
where: short stacking energy: -50.097
Base-Backbone interact. energy: -1.017
local terms energy: -111.961651
where:
bonds (distance) C4'-P energy: -31.389
bonds (distance) P-C4' energy: -36.338
flat angles C4'-P-C4' energy: -23.305
flat angles P-C4'-P energy: -20.949
tors. eta vs tors. theta energy: 0.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -205.777364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.777364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.777364 (E_RNA)
where:
Base-Base interactions energy: -105.141
where: short stacking energy: -52.225
Base-Backbone interact. energy: 6.012
local terms energy: -106.649116
where:
bonds (distance) C4'-P energy: -36.598
bonds (distance) P-C4' energy: -36.759
flat angles C4'-P-C4' energy: -24.898
flat angles P-C4'-P energy: -14.311
tors. eta vs tors. theta energy: 5.917
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: 1, replica: 7
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -639.698897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.698897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.698897 (E_RNA)
where:
Base-Base interactions energy: -421.504
where: short stacking energy: -203.257
Base-Backbone interact. energy: -0.053
local terms energy: -218.142543
where:
bonds (distance) C4'-P energy: -35.180
bonds (distance) P-C4' energy: -40.433
flat angles C4'-P-C4' energy: -49.488
flat angles P-C4'-P energy: -26.438
tors. eta vs tors. theta energy: -66.603
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: 9
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -628.362456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.362456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.362456 (E_RNA)
where:
Base-Base interactions energy: -415.483
where: short stacking energy: -177.716
Base-Backbone interact. energy: -0.698
local terms energy: -212.181574
where:
bonds (distance) C4'-P energy: -42.205
bonds (distance) P-C4' energy: -37.669
flat angles C4'-P-C4' energy: -43.010
flat angles P-C4'-P energy: -29.193
tors. eta vs tors. theta energy: -60.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -607.772549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.772549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.772549 (E_RNA)
where:
Base-Base interactions energy: -393.602
where: short stacking energy: -180.024
Base-Backbone interact. energy: -0.495
local terms energy: -213.675619
where:
bonds (distance) C4'-P energy: -40.059
bonds (distance) P-C4' energy: -43.298
flat angles C4'-P-C4' energy: -48.340
flat angles P-C4'-P energy: -25.772
tors. eta vs tors. theta energy: -56.206
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: 4, replica: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -595.359409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.359409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.359409 (E_RNA)
where:
Base-Base interactions energy: -393.579
where: short stacking energy: -160.267
Base-Backbone interact. energy: 0.095
local terms energy: -201.875942
where:
bonds (distance) C4'-P energy: -36.027
bonds (distance) P-C4' energy: -43.177
flat angles C4'-P-C4' energy: -43.565
flat angles P-C4'-P energy: -27.006
tors. eta vs tors. theta energy: -52.101
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: 1
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -572.104061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.104061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.104061 (E_RNA)
where:
Base-Base interactions energy: -389.807
where: short stacking energy: -173.798
Base-Backbone interact. energy: 1.882
local terms energy: -184.179385
where:
bonds (distance) C4'-P energy: -29.383
bonds (distance) P-C4' energy: -30.507
flat angles C4'-P-C4' energy: -38.194
flat angles P-C4'-P energy: -33.321
tors. eta vs tors. theta energy: -52.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -458.149525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.149525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.149525 (E_RNA)
where:
Base-Base interactions energy: -296.274
where: short stacking energy: -133.396
Base-Backbone interact. energy: 0.894
local terms energy: -162.769487
where:
bonds (distance) C4'-P energy: -32.224
bonds (distance) P-C4' energy: -35.854
flat angles C4'-P-C4' energy: -38.279
flat angles P-C4'-P energy: -22.490
tors. eta vs tors. theta energy: -33.922
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: 4
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -383.559528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.559528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.559528 (E_RNA)
where:
Base-Base interactions energy: -217.936
where: short stacking energy: -111.990
Base-Backbone interact. energy: -1.326
local terms energy: -164.297183
where:
bonds (distance) C4'-P energy: -29.825
bonds (distance) P-C4' energy: -36.192
flat angles C4'-P-C4' energy: -38.159
flat angles P-C4'-P energy: -26.840
tors. eta vs tors. theta energy: -33.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -189.970364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.970364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.970364 (E_RNA)
where:
Base-Base interactions energy: -54.073
where: short stacking energy: -49.329
Base-Backbone interact. energy: 0.049
local terms energy: -135.947135
where:
bonds (distance) C4'-P energy: -38.250
bonds (distance) P-C4' energy: -33.282
flat angles C4'-P-C4' energy: -37.124
flat angles P-C4'-P energy: -22.696
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: 9, replica: 6
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -181.751031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.751031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.751031 (E_RNA)
where:
Base-Base interactions energy: -63.385
where: short stacking energy: -59.735
Base-Backbone interact. energy: 1.523
local terms energy: -119.889292
where:
bonds (distance) C4'-P energy: -36.841
bonds (distance) P-C4' energy: -32.232
flat angles C4'-P-C4' energy: -27.357
flat angles P-C4'-P energy: -18.736
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: 10, replica: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -170.604748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.604748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.604748 (E_RNA)
where:
Base-Base interactions energy: -54.986
where: short stacking energy: -32.283
Base-Backbone interact. energy: -0.540
local terms energy: -115.078681
where:
bonds (distance) C4'-P energy: -34.281
bonds (distance) P-C4' energy: -37.297
flat angles C4'-P-C4' energy: -30.739
flat angles P-C4'-P energy: -19.040
tors. eta vs tors. theta energy: 6.279
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: 7
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -645.219677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.219677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.219677 (E_RNA)
where:
Base-Base interactions energy: -421.091
where: short stacking energy: -201.707
Base-Backbone interact. energy: -0.172
local terms energy: -223.956451
where:
bonds (distance) C4'-P energy: -44.938
bonds (distance) P-C4' energy: -37.077
flat angles C4'-P-C4' energy: -46.195
flat angles P-C4'-P energy: -30.868
tors. eta vs tors. theta energy: -64.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -631.337407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.337407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.337407 (E_RNA)
where:
Base-Base interactions energy: -427.768
where: short stacking energy: -176.216
Base-Backbone interact. energy: 0.030
local terms energy: -203.599854
where:
bonds (distance) C4'-P energy: -35.356
bonds (distance) P-C4' energy: -41.359
flat angles C4'-P-C4' energy: -40.531
flat angles P-C4'-P energy: -28.383
tors. eta vs tors. theta energy: -57.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -627.386779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.386779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.386779 (E_RNA)
where:
Base-Base interactions energy: -429.362
where: short stacking energy: -190.474
Base-Backbone interact. energy: -0.488
local terms energy: -197.536764
where:
bonds (distance) C4'-P energy: -37.790
bonds (distance) P-C4' energy: -37.503
flat angles C4'-P-C4' energy: -43.973
flat angles P-C4'-P energy: -24.452
tors. eta vs tors. theta energy: -53.819
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: 202
Temperature: 1.050000
Total energy: -585.851517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.851517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.851517 (E_RNA)
where:
Base-Base interactions energy: -395.392
where: short stacking energy: -183.139
Base-Backbone interact. energy: -0.660
local terms energy: -189.799563
where:
bonds (distance) C4'-P energy: -34.476
bonds (distance) P-C4' energy: -39.044
flat angles C4'-P-C4' energy: -40.095
flat angles P-C4'-P energy: -20.279
tors. eta vs tors. theta energy: -55.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -553.890964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.890964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.890964 (E_RNA)
where:
Base-Base interactions energy: -379.631
where: short stacking energy: -149.035
Base-Backbone interact. energy: 1.899
local terms energy: -176.159647
where:
bonds (distance) C4'-P energy: -28.637
bonds (distance) P-C4' energy: -36.108
flat angles C4'-P-C4' energy: -43.826
flat angles P-C4'-P energy: -25.854
tors. eta vs tors. theta energy: -41.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -496.026230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.026230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.026230 (E_RNA)
where:
Base-Base interactions energy: -316.069
where: short stacking energy: -134.289
Base-Backbone interact. energy: -0.913
local terms energy: -179.044057
where:
bonds (distance) C4'-P energy: -36.847
bonds (distance) P-C4' energy: -38.048
flat angles C4'-P-C4' energy: -40.491
flat angles P-C4'-P energy: -23.072
tors. eta vs tors. theta energy: -40.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -395.786746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.786746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.786746 (E_RNA)
where:
Base-Base interactions energy: -232.051
where: short stacking energy: -98.476
Base-Backbone interact. energy: -1.167
local terms energy: -162.569264
where:
bonds (distance) C4'-P energy: -35.998
bonds (distance) P-C4' energy: -37.430
flat angles C4'-P-C4' energy: -38.670
flat angles P-C4'-P energy: -26.279
tors. eta vs tors. theta energy: -24.191
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: 202
Temperature: 1.250000
Total energy: -191.649109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.649109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.649109 (E_RNA)
where:
Base-Base interactions energy: -58.409
where: short stacking energy: -57.879
Base-Backbone interact. energy: -0.363
local terms energy: -132.876239
where:
bonds (distance) C4'-P energy: -35.141
bonds (distance) P-C4' energy: -38.187
flat angles C4'-P-C4' energy: -33.828
flat angles P-C4'-P energy: -26.174
tors. eta vs tors. theta energy: 0.453
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: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -181.773278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.773278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.773278 (E_RNA)
where:
Base-Base interactions energy: -60.021
where: short stacking energy: -42.982
Base-Backbone interact. energy: -1.982
local terms energy: -119.770949
where:
bonds (distance) C4'-P energy: -35.657
bonds (distance) P-C4' energy: -35.855
flat angles C4'-P-C4' energy: -34.969
flat angles P-C4'-P energy: -16.085
tors. eta vs tors. theta energy: 2.795
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: 10, replica: 6
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -165.070547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.070547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.070547 (E_RNA)
where:
Base-Base interactions energy: -53.350
where: short stacking energy: -36.102
Base-Backbone interact. energy: -0.864
local terms energy: -110.857140
where:
bonds (distance) C4'-P energy: -33.975
bonds (distance) P-C4' energy: -40.859
flat angles C4'-P-C4' energy: -24.534
flat angles P-C4'-P energy: -15.838
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: 1, replica: 7
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -655.890577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.890577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.890577 (E_RNA)
where:
Base-Base interactions energy: -428.892
where: short stacking energy: -202.063
Base-Backbone interact. energy: -0.138
local terms energy: -226.861259
where:
bonds (distance) C4'-P energy: -42.009
bonds (distance) P-C4' energy: -46.067
flat angles C4'-P-C4' energy: -47.542
flat angles P-C4'-P energy: -29.792
tors. eta vs tors. theta energy: -61.450
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: 3
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -652.718227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.718227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.718227 (E_RNA)
where:
Base-Base interactions energy: -431.231
where: short stacking energy: -184.260
Base-Backbone interact. energy: -0.693
local terms energy: -220.794977
where:
bonds (distance) C4'-P energy: -38.177
bonds (distance) P-C4' energy: -45.330
flat angles C4'-P-C4' energy: -47.023
flat angles P-C4'-P energy: -29.024
tors. eta vs tors. theta energy: -61.240
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: 9
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -626.097190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.097190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.097190 (E_RNA)
where:
Base-Base interactions energy: -410.708
where: short stacking energy: -166.220
Base-Backbone interact. energy: -0.101
local terms energy: -215.288581
where:
bonds (distance) C4'-P energy: -37.191
bonds (distance) P-C4' energy: -40.140
flat angles C4'-P-C4' energy: -48.249
flat angles P-C4'-P energy: -33.580
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: 4, replica: 5
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -618.364265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.364265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.364265 (E_RNA)
where:
Base-Base interactions energy: -410.883
where: short stacking energy: -181.928
Base-Backbone interact. energy: 0.544
local terms energy: -208.025266
where:
bonds (distance) C4'-P energy: -39.387
bonds (distance) P-C4' energy: -40.846
flat angles C4'-P-C4' energy: -43.134
flat angles P-C4'-P energy: -27.752
tors. eta vs tors. theta energy: -56.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -559.062421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.062421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.062421 (E_RNA)
where:
Base-Base interactions energy: -371.261
where: short stacking energy: -154.119
Base-Backbone interact. energy: -1.835
local terms energy: -185.967237
where:
bonds (distance) C4'-P energy: -35.330
bonds (distance) P-C4' energy: -36.746
flat angles C4'-P-C4' energy: -39.279
flat angles P-C4'-P energy: -26.882
tors. eta vs tors. theta energy: -47.730
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: 2
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -484.840499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.840499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.840499 (E_RNA)
where:
Base-Base interactions energy: -325.307
where: short stacking energy: -135.937
Base-Backbone interact. energy: -0.487
local terms energy: -159.046605
where:
bonds (distance) C4'-P energy: -40.581
bonds (distance) P-C4' energy: -41.083
flat angles C4'-P-C4' energy: -23.016
flat angles P-C4'-P energy: -24.660
tors. eta vs tors. theta energy: -29.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -431.337581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.337581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.337581 (E_RNA)
where:
Base-Base interactions energy: -268.111
where: short stacking energy: -137.514
Base-Backbone interact. energy: -0.425
local terms energy: -162.800780
where:
bonds (distance) C4'-P energy: -30.444
bonds (distance) P-C4' energy: -35.706
flat angles C4'-P-C4' energy: -32.340
flat angles P-C4'-P energy: -22.923
tors. eta vs tors. theta energy: -41.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -228.724972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.724972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.724972 (E_RNA)
where:
Base-Base interactions energy: -108.827
where: short stacking energy: -39.792
Base-Backbone interact. energy: -1.954
local terms energy: -117.944036
where:
bonds (distance) C4'-P energy: -33.620
bonds (distance) P-C4' energy: -38.072
flat angles C4'-P-C4' energy: -34.689
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -3.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -196.094299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.094299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.094299 (E_RNA)
where:
Base-Base interactions energy: -80.228
where: short stacking energy: -72.483
Base-Backbone interact. energy: 0.849
local terms energy: -116.715600
where:
bonds (distance) C4'-P energy: -24.869
bonds (distance) P-C4' energy: -37.881
flat angles C4'-P-C4' energy: -26.286
flat angles P-C4'-P energy: -17.318
tors. eta vs tors. theta energy: -10.362
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: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -174.489384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.489384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.489384 (E_RNA)
where:
Base-Base interactions energy: -63.070
where: short stacking energy: -52.022
Base-Backbone interact. energy: -0.872
local terms energy: -110.547276
where:
bonds (distance) C4'-P energy: -34.286
bonds (distance) P-C4' energy: -36.106
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -25.076
tors. eta vs tors. theta energy: 2.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -638.929989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.929989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.929989 (E_RNA)
where:
Base-Base interactions energy: -416.098
where: short stacking energy: -205.412
Base-Backbone interact. energy: -0.050
local terms energy: -222.782355
where:
bonds (distance) C4'-P energy: -41.524
bonds (distance) P-C4' energy: -33.993
flat angles C4'-P-C4' energy: -48.086
flat angles P-C4'-P energy: -34.254
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: 3
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -631.717222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.717222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.717222 (E_RNA)
where:
Base-Base interactions energy: -421.584
where: short stacking energy: -185.507
Base-Backbone interact. energy: -0.186
local terms energy: -209.947798
where:
bonds (distance) C4'-P energy: -33.622
bonds (distance) P-C4' energy: -44.739
flat angles C4'-P-C4' energy: -42.509
flat angles P-C4'-P energy: -28.566
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: 3, replica: 9
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -623.229509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.229509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.229509 (E_RNA)
where:
Base-Base interactions energy: -419.656
where: short stacking energy: -187.124
Base-Backbone interact. energy: -0.037
local terms energy: -203.536394
where:
bonds (distance) C4'-P energy: -30.429
bonds (distance) P-C4' energy: -39.530
flat angles C4'-P-C4' energy: -46.009
flat angles P-C4'-P energy: -27.031
tors. eta vs tors. theta energy: -60.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -592.271082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.271082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.271082 (E_RNA)
where:
Base-Base interactions energy: -396.384
where: short stacking energy: -174.418
Base-Backbone interact. energy: -1.559
local terms energy: -194.328671
where:
bonds (distance) C4'-P energy: -39.288
bonds (distance) P-C4' energy: -34.052
flat angles C4'-P-C4' energy: -36.582
flat angles P-C4'-P energy: -27.247
tors. eta vs tors. theta energy: -57.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -547.400395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.400395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.400395 (E_RNA)
where:
Base-Base interactions energy: -377.146
where: short stacking energy: -161.945
Base-Backbone interact. energy: -0.593
local terms energy: -169.662093
where:
bonds (distance) C4'-P energy: -39.350
bonds (distance) P-C4' energy: -33.711
flat angles C4'-P-C4' energy: -42.522
flat angles P-C4'-P energy: -16.566
tors. eta vs tors. theta energy: -37.513
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: 2
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -465.565614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.565614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.565614 (E_RNA)
where:
Base-Base interactions energy: -302.865
where: short stacking energy: -136.597
Base-Backbone interact. energy: -0.803
local terms energy: -161.898120
where:
bonds (distance) C4'-P energy: -31.355
bonds (distance) P-C4' energy: -36.807
flat angles C4'-P-C4' energy: -34.901
flat angles P-C4'-P energy: -24.375
tors. eta vs tors. theta energy: -34.459
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: 4
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -382.800798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.800798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.800798 (E_RNA)
where:
Base-Base interactions energy: -232.840
where: short stacking energy: -120.630
Base-Backbone interact. energy: 0.361
local terms energy: -150.321968
where:
bonds (distance) C4'-P energy: -25.365
bonds (distance) P-C4' energy: -35.538
flat angles C4'-P-C4' energy: -35.745
flat angles P-C4'-P energy: -24.595
tors. eta vs tors. theta energy: -29.078
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: 8
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -220.153428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.153428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.153428 (E_RNA)
where:
Base-Base interactions energy: -95.521
where: short stacking energy: -53.639
Base-Backbone interact. energy: -1.567
local terms energy: -123.065770
where:
bonds (distance) C4'-P energy: -33.509
bonds (distance) P-C4' energy: -39.012
flat angles C4'-P-C4' energy: -29.016
flat angles P-C4'-P energy: -18.221
tors. eta vs tors. theta energy: -3.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -198.756801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.756801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.756801 (E_RNA)
where:
Base-Base interactions energy: -68.425
where: short stacking energy: -46.564
Base-Backbone interact. energy: -0.503
local terms energy: -129.828573
where:
bonds (distance) C4'-P energy: -34.335
bonds (distance) P-C4' energy: -41.004
flat angles C4'-P-C4' energy: -37.194
flat angles P-C4'-P energy: -15.260
tors. eta vs tors. theta energy: -2.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -182.671204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.671204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.671204 (E_RNA)
where:
Base-Base interactions energy: -56.503
where: short stacking energy: -55.241
Base-Backbone interact. energy: -0.610
local terms energy: -125.557962
where:
bonds (distance) C4'-P energy: -38.849
bonds (distance) P-C4' energy: -35.241
flat angles C4'-P-C4' energy: -28.814
flat angles P-C4'-P energy: -21.831
tors. eta vs tors. theta energy: -0.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -618.215234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.215234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.215234 (E_RNA)
where:
Base-Base interactions energy: -408.631
where: short stacking energy: -199.363
Base-Backbone interact. energy: -0.035
local terms energy: -209.549306
where:
bonds (distance) C4'-P energy: -38.262
bonds (distance) P-C4' energy: -40.753
flat angles C4'-P-C4' energy: -38.557
flat angles P-C4'-P energy: -30.781
tors. eta vs tors. theta energy: -61.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -640.799711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.799711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.799711 (E_RNA)
where:
Base-Base interactions energy: -439.820
where: short stacking energy: -187.503
Base-Backbone interact. energy: -0.438
local terms energy: -200.541632
where:
bonds (distance) C4'-P energy: -38.211
bonds (distance) P-C4' energy: -38.704
flat angles C4'-P-C4' energy: -37.010
flat angles P-C4'-P energy: -33.292
tors. eta vs tors. theta energy: -53.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -619.936692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.936692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.936692 (E_RNA)
where:
Base-Base interactions energy: -410.006
where: short stacking energy: -179.423
Base-Backbone interact. energy: -2.190
local terms energy: -207.740814
where:
bonds (distance) C4'-P energy: -34.332
bonds (distance) P-C4' energy: -38.991
flat angles C4'-P-C4' energy: -44.459
flat angles P-C4'-P energy: -26.384
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: 4, replica: 5
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -600.275886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.275886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.275886 (E_RNA)
where:
Base-Base interactions energy: -412.673
where: short stacking energy: -183.202
Base-Backbone interact. energy: 2.200
local terms energy: -189.803380
where:
bonds (distance) C4'-P energy: -28.011
bonds (distance) P-C4' energy: -41.719
flat angles C4'-P-C4' energy: -41.782
flat angles P-C4'-P energy: -24.903
tors. eta vs tors. theta energy: -53.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -579.814897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.814897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.814897 (E_RNA)
where:
Base-Base interactions energy: -382.160
where: short stacking energy: -164.832
Base-Backbone interact. energy: -0.069
local terms energy: -197.586233
where:
bonds (distance) C4'-P energy: -31.969
bonds (distance) P-C4' energy: -43.377
flat angles C4'-P-C4' energy: -40.018
flat angles P-C4'-P energy: -32.340
tors. eta vs tors. theta energy: -49.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -393.582729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.582729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.582729 (E_RNA)
where:
Base-Base interactions energy: -233.056
where: short stacking energy: -115.603
Base-Backbone interact. energy: 0.330
local terms energy: -160.856652
where:
bonds (distance) C4'-P energy: -35.417
bonds (distance) P-C4' energy: -34.807
flat angles C4'-P-C4' energy: -38.623
flat angles P-C4'-P energy: -31.219
tors. eta vs tors. theta energy: -20.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -446.453822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.453822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.453822 (E_RNA)
where:
Base-Base interactions energy: -300.450
where: short stacking energy: -133.301
Base-Backbone interact. energy: 2.169
local terms energy: -148.172190
where:
bonds (distance) C4'-P energy: -35.696
bonds (distance) P-C4' energy: -35.469
flat angles C4'-P-C4' energy: -26.532
flat angles P-C4'-P energy: -19.591
tors. eta vs tors. theta energy: -30.885
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: 8
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -186.832922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.832922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.832922 (E_RNA)
where:
Base-Base interactions energy: -64.204
where: short stacking energy: -56.439
Base-Backbone interact. energy: 0.976
local terms energy: -123.604283
where:
bonds (distance) C4'-P energy: -33.090
bonds (distance) P-C4' energy: -36.729
flat angles C4'-P-C4' energy: -27.661
flat angles P-C4'-P energy: -26.149
tors. eta vs tors. theta energy: 0.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -189.693079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.693079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.693079 (E_RNA)
where:
Base-Base interactions energy: -65.449
where: short stacking energy: -55.466
Base-Backbone interact. energy: 0.194
local terms energy: -124.438495
where:
bonds (distance) C4'-P energy: -38.615
bonds (distance) P-C4' energy: -40.855
flat angles C4'-P-C4' energy: -25.677
flat angles P-C4'-P energy: -18.211
tors. eta vs tors. theta energy: -1.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -170.875393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.875393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.875393 (E_RNA)
where:
Base-Base interactions energy: -74.593
where: short stacking energy: -48.877
Base-Backbone interact. energy: 4.320
local terms energy: -100.602937
where:
bonds (distance) C4'-P energy: -29.192
bonds (distance) P-C4' energy: -31.931
flat angles C4'-P-C4' energy: -24.381
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -7.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -660.830580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.830580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.830580 (E_RNA)
where:
Base-Base interactions energy: -442.963
where: short stacking energy: -182.186
Base-Backbone interact. energy: 3.637
local terms energy: -221.505047
where:
bonds (distance) C4'-P energy: -46.157
bonds (distance) P-C4' energy: -38.763
flat angles C4'-P-C4' energy: -44.605
flat angles P-C4'-P energy: -32.950
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: 2, replica: 7
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -618.734148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.734148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.734148 (E_RNA)
where:
Base-Base interactions energy: -416.309
where: short stacking energy: -198.634
Base-Backbone interact. energy: -0.010
local terms energy: -202.415404
where:
bonds (distance) C4'-P energy: -33.041
bonds (distance) P-C4' energy: -33.557
flat angles C4'-P-C4' energy: -41.741
flat angles P-C4'-P energy: -36.605
tors. eta vs tors. theta energy: -57.472
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: 5
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -604.772115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.772115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.772115 (E_RNA)
where:
Base-Base interactions energy: -412.952
where: short stacking energy: -168.195
Base-Backbone interact. energy: -1.340
local terms energy: -190.479893
where:
bonds (distance) C4'-P energy: -34.182
bonds (distance) P-C4' energy: -40.389
flat angles C4'-P-C4' energy: -39.333
flat angles P-C4'-P energy: -27.152
tors. eta vs tors. theta energy: -49.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -605.056532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.056532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.056532 (E_RNA)
where:
Base-Base interactions energy: -415.810
where: short stacking energy: -171.130
Base-Backbone interact. energy: 1.859
local terms energy: -191.105544
where:
bonds (distance) C4'-P energy: -33.864
bonds (distance) P-C4' energy: -30.845
flat angles C4'-P-C4' energy: -43.638
flat angles P-C4'-P energy: -27.441
tors. eta vs tors. theta energy: -55.317
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: 1
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -568.187996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.187996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.187996 (E_RNA)
where:
Base-Base interactions energy: -384.978
where: short stacking energy: -160.359
Base-Backbone interact. energy: 0.866
local terms energy: -184.075508
where:
bonds (distance) C4'-P energy: -40.143
bonds (distance) P-C4' energy: -35.747
flat angles C4'-P-C4' energy: -35.883
flat angles P-C4'-P energy: -29.517
tors. eta vs tors. theta energy: -42.785
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: 206
Temperature: 1.150000
Total energy: -405.491515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.491515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.491515 (E_RNA)
where:
Base-Base interactions energy: -245.606
where: short stacking energy: -114.162
Base-Backbone interact. energy: -0.658
local terms energy: -159.227168
where:
bonds (distance) C4'-P energy: -40.459
bonds (distance) P-C4' energy: -34.360
flat angles C4'-P-C4' energy: -40.694
flat angles P-C4'-P energy: -19.039
tors. eta vs tors. theta energy: -24.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -473.000139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.000139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.000139 (E_RNA)
where:
Base-Base interactions energy: -304.138
where: short stacking energy: -142.704
Base-Backbone interact. energy: -0.775
local terms energy: -168.087767
where:
bonds (distance) C4'-P energy: -30.804
bonds (distance) P-C4' energy: -41.942
flat angles C4'-P-C4' energy: -35.067
flat angles P-C4'-P energy: -24.513
tors. eta vs tors. theta energy: -35.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -205.789926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.789926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.789926 (E_RNA)
where:
Base-Base interactions energy: -105.939
where: short stacking energy: -72.885
Base-Backbone interact. energy: 1.896
local terms energy: -101.747009
where:
bonds (distance) C4'-P energy: -18.988
bonds (distance) P-C4' energy: -34.621
flat angles C4'-P-C4' energy: -26.072
flat angles P-C4'-P energy: -21.882
tors. eta vs tors. theta energy: -0.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -169.755561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.755561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.755561 (E_RNA)
where:
Base-Base interactions energy: -50.917
where: short stacking energy: -48.080
Base-Backbone interact. energy: -0.446
local terms energy: -118.392497
where:
bonds (distance) C4'-P energy: -32.655
bonds (distance) P-C4' energy: -35.147
flat angles C4'-P-C4' energy: -32.784
flat angles P-C4'-P energy: -21.869
tors. eta vs tors. theta energy: 4.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -169.013228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.013228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.013228 (E_RNA)
where:
Base-Base interactions energy: -55.028
where: short stacking energy: -42.394
Base-Backbone interact. energy: 0.125
local terms energy: -114.110628
where:
bonds (distance) C4'-P energy: -22.633
bonds (distance) P-C4' energy: -36.250
flat angles C4'-P-C4' energy: -35.581
flat angles P-C4'-P energy: -22.381
tors. eta vs tors. theta energy: 2.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -635.720003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.720003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.720003 (E_RNA)
where:
Base-Base interactions energy: -430.705
where: short stacking energy: -183.194
Base-Backbone interact. energy: -0.525
local terms energy: -204.490023
where:
bonds (distance) C4'-P energy: -37.361
bonds (distance) P-C4' energy: -40.476
flat angles C4'-P-C4' energy: -43.692
flat angles P-C4'-P energy: -28.159
tors. eta vs tors. theta energy: -54.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -638.977117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.977117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.977117 (E_RNA)
where:
Base-Base interactions energy: -419.946
where: short stacking energy: -189.941
Base-Backbone interact. energy: -1.342
local terms energy: -217.689688
where:
bonds (distance) C4'-P energy: -44.142
bonds (distance) P-C4' energy: -39.410
flat angles C4'-P-C4' energy: -44.522
flat angles P-C4'-P energy: -33.221
tors. eta vs tors. theta energy: -56.394
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: 7
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -595.876593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.876593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.876593 (E_RNA)
where:
Base-Base interactions energy: -385.897
where: short stacking energy: -172.759
Base-Backbone interact. energy: -0.103
local terms energy: -209.876805
where:
bonds (distance) C4'-P energy: -37.968
bonds (distance) P-C4' energy: -34.872
flat angles C4'-P-C4' energy: -49.570
flat angles P-C4'-P energy: -29.451
tors. eta vs tors. theta energy: -58.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -598.324134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.324134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.324134 (E_RNA)
where:
Base-Base interactions energy: -399.361
where: short stacking energy: -162.722
Base-Backbone interact. energy: -0.993
local terms energy: -197.970248
where:
bonds (distance) C4'-P energy: -38.534
bonds (distance) P-C4' energy: -35.388
flat angles C4'-P-C4' energy: -38.979
flat angles P-C4'-P energy: -34.320
tors. eta vs tors. theta energy: -50.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -554.829259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.829259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.829259 (E_RNA)
where:
Base-Base interactions energy: -385.446
where: short stacking energy: -159.304
Base-Backbone interact. energy: -0.964
local terms energy: -168.419565
where:
bonds (distance) C4'-P energy: -25.129
bonds (distance) P-C4' energy: -36.959
flat angles C4'-P-C4' energy: -40.337
flat angles P-C4'-P energy: -24.368
tors. eta vs tors. theta energy: -41.628
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: 2
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -494.306857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.306857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.306857 (E_RNA)
where:
Base-Base interactions energy: -321.821
where: short stacking energy: -145.898
Base-Backbone interact. energy: -0.646
local terms energy: -171.839689
where:
bonds (distance) C4'-P energy: -30.882
bonds (distance) P-C4' energy: -36.066
flat angles C4'-P-C4' energy: -42.924
flat angles P-C4'-P energy: -22.812
tors. eta vs tors. theta energy: -39.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -382.878138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.878138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.878138 (E_RNA)
where:
Base-Base interactions energy: -222.189
where: short stacking energy: -103.494
Base-Backbone interact. energy: 0.728
local terms energy: -161.416882
where:
bonds (distance) C4'-P energy: -40.842
bonds (distance) P-C4' energy: -39.392
flat angles C4'-P-C4' energy: -35.549
flat angles P-C4'-P energy: -16.481
tors. eta vs tors. theta energy: -29.153
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: 8
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -235.723512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.723512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.723512 (E_RNA)
where:
Base-Base interactions energy: -105.214
where: short stacking energy: -62.763
Base-Backbone interact. energy: -0.755
local terms energy: -129.755256
where:
bonds (distance) C4'-P energy: -38.568
bonds (distance) P-C4' energy: -41.307
flat angles C4'-P-C4' energy: -33.670
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -2.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -188.534368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.534368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.534368 (E_RNA)
where:
Base-Base interactions energy: -50.647
where: short stacking energy: -33.362
Base-Backbone interact. energy: -1.584
local terms energy: -136.302786
where:
bonds (distance) C4'-P energy: -36.941
bonds (distance) P-C4' energy: -40.918
flat angles C4'-P-C4' energy: -31.666
flat angles P-C4'-P energy: -25.099
tors. eta vs tors. theta energy: -1.678
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: 207
Temperature: 1.350000
Total energy: -176.600862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.600862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.600862 (E_RNA)
where:
Base-Base interactions energy: -65.955
where: short stacking energy: -61.918
Base-Backbone interact. energy: -0.601
local terms energy: -110.045327
where:
bonds (distance) C4'-P energy: -34.131
bonds (distance) P-C4' energy: -30.070
flat angles C4'-P-C4' energy: -25.331
flat angles P-C4'-P energy: -18.718
tors. eta vs tors. theta energy: -1.795
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: 3
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -655.918476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.918476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.918476 (E_RNA)
where:
Base-Base interactions energy: -437.238
where: short stacking energy: -191.992
Base-Backbone interact. energy: -0.505
local terms energy: -218.174817
where:
bonds (distance) C4'-P energy: -40.463
bonds (distance) P-C4' energy: -44.467
flat angles C4'-P-C4' energy: -46.952
flat angles P-C4'-P energy: -28.870
tors. eta vs tors. theta energy: -57.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -625.859277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.859277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.859277 (E_RNA)
where:
Base-Base interactions energy: -416.151
where: short stacking energy: -185.749
Base-Backbone interact. energy: -1.379
local terms energy: -208.329187
where:
bonds (distance) C4'-P energy: -38.998
bonds (distance) P-C4' energy: -35.764
flat angles C4'-P-C4' energy: -44.728
flat angles P-C4'-P energy: -30.800
tors. eta vs tors. theta energy: -58.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -600.948049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.948049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.948049 (E_RNA)
where:
Base-Base interactions energy: -387.462
where: short stacking energy: -183.819
Base-Backbone interact. energy: -0.514
local terms energy: -212.971788
where:
bonds (distance) C4'-P energy: -40.678
bonds (distance) P-C4' energy: -40.896
flat angles C4'-P-C4' energy: -39.222
flat angles P-C4'-P energy: -32.004
tors. eta vs tors. theta energy: -60.172
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: 9
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -573.292377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.292377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.292377 (E_RNA)
where:
Base-Base interactions energy: -383.890
where: short stacking energy: -166.227
Base-Backbone interact. energy: 0.061
local terms energy: -189.464030
where:
bonds (distance) C4'-P energy: -33.710
bonds (distance) P-C4' energy: -41.521
flat angles C4'-P-C4' energy: -43.724
flat angles P-C4'-P energy: -25.928
tors. eta vs tors. theta energy: -44.581
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: 1
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -549.902794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.902794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.902794 (E_RNA)
where:
Base-Base interactions energy: -358.888
where: short stacking energy: -163.198
Base-Backbone interact. energy: -1.497
local terms energy: -189.517690
where:
bonds (distance) C4'-P energy: -32.539
bonds (distance) P-C4' energy: -40.687
flat angles C4'-P-C4' energy: -46.773
flat angles P-C4'-P energy: -26.430
tors. eta vs tors. theta energy: -43.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -499.247535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.247535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.247535 (E_RNA)
where:
Base-Base interactions energy: -319.786
where: short stacking energy: -152.197
Base-Backbone interact. energy: -0.608
local terms energy: -178.853591
where:
bonds (distance) C4'-P energy: -31.972
bonds (distance) P-C4' energy: -39.307
flat angles C4'-P-C4' energy: -42.811
flat angles P-C4'-P energy: -26.551
tors. eta vs tors. theta energy: -38.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -358.997823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.997823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.997823 (E_RNA)
where:
Base-Base interactions energy: -199.497
where: short stacking energy: -109.553
Base-Backbone interact. energy: -0.057
local terms energy: -159.443413
where:
bonds (distance) C4'-P energy: -34.272
bonds (distance) P-C4' energy: -38.031
flat angles C4'-P-C4' energy: -31.960
flat angles P-C4'-P energy: -28.170
tors. eta vs tors. theta energy: -27.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -194.527833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.527833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.527833 (E_RNA)
where:
Base-Base interactions energy: -61.588
where: short stacking energy: -61.237
Base-Backbone interact. energy: 0.365
local terms energy: -133.305630
where:
bonds (distance) C4'-P energy: -34.082
bonds (distance) P-C4' energy: -32.295
flat angles C4'-P-C4' energy: -38.184
flat angles P-C4'-P energy: -21.082
tors. eta vs tors. theta energy: -7.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -175.153628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.153628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.153628 (E_RNA)
where:
Base-Base interactions energy: -52.623
where: short stacking energy: -41.919
Base-Backbone interact. energy: 2.150
local terms energy: -124.681387
where:
bonds (distance) C4'-P energy: -32.522
bonds (distance) P-C4' energy: -41.616
flat angles C4'-P-C4' energy: -32.927
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -4.886
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: 6
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -172.318019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.318019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.318019 (E_RNA)
where:
Base-Base interactions energy: -51.409
where: short stacking energy: -45.450
Base-Backbone interact. energy: -0.174
local terms energy: -120.734671
where:
bonds (distance) C4'-P energy: -32.786
bonds (distance) P-C4' energy: -36.977
flat angles C4'-P-C4' energy: -28.689
flat angles P-C4'-P energy: -22.731
tors. eta vs tors. theta energy: 0.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -643.202570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.202570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.202570 (E_RNA)
where:
Base-Base interactions energy: -435.556
where: short stacking energy: -173.388
Base-Backbone interact. energy: -0.357
local terms energy: -207.289132
where:
bonds (distance) C4'-P energy: -38.005
bonds (distance) P-C4' energy: -45.990
flat angles C4'-P-C4' energy: -35.602
flat angles P-C4'-P energy: -29.161
tors. eta vs tors. theta energy: -58.531
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: 5
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -631.420359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.420359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.420359 (E_RNA)
where:
Base-Base interactions energy: -428.520
where: short stacking energy: -185.813
Base-Backbone interact. energy: -0.402
local terms energy: -202.498075
where:
bonds (distance) C4'-P energy: -34.141
bonds (distance) P-C4' energy: -46.314
flat angles C4'-P-C4' energy: -38.091
flat angles P-C4'-P energy: -27.910
tors. eta vs tors. theta energy: -56.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -600.091235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.091235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.091235 (E_RNA)
where:
Base-Base interactions energy: -385.500
where: short stacking energy: -172.834
Base-Backbone interact. energy: 0.724
local terms energy: -215.315582
where:
bonds (distance) C4'-P energy: -46.319
bonds (distance) P-C4' energy: -44.855
flat angles C4'-P-C4' energy: -39.614
flat angles P-C4'-P energy: -31.660
tors. eta vs tors. theta energy: -52.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -568.150880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.150880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.150880 (E_RNA)
where:
Base-Base interactions energy: -379.691
where: short stacking energy: -166.006
Base-Backbone interact. energy: -1.875
local terms energy: -186.584400
where:
bonds (distance) C4'-P energy: -38.204
bonds (distance) P-C4' energy: -35.577
flat angles C4'-P-C4' energy: -29.358
flat angles P-C4'-P energy: -30.676
tors. eta vs tors. theta energy: -52.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -556.050355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.050355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.050355 (E_RNA)
where:
Base-Base interactions energy: -375.581
where: short stacking energy: -154.417
Base-Backbone interact. energy: -0.382
local terms energy: -180.086706
where:
bonds (distance) C4'-P energy: -30.111
bonds (distance) P-C4' energy: -43.657
flat angles C4'-P-C4' energy: -40.146
flat angles P-C4'-P energy: -26.835
tors. eta vs tors. theta energy: -39.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -480.648420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.648420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.648420 (E_RNA)
where:
Base-Base interactions energy: -302.659
where: short stacking energy: -142.251
Base-Backbone interact. energy: -0.253
local terms energy: -177.737179
where:
bonds (distance) C4'-P energy: -37.366
bonds (distance) P-C4' energy: -34.171
flat angles C4'-P-C4' energy: -34.133
flat angles P-C4'-P energy: -28.293
tors. eta vs tors. theta energy: -43.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -346.891021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.891021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.891021 (E_RNA)
where:
Base-Base interactions energy: -201.494
where: short stacking energy: -104.540
Base-Backbone interact. energy: 1.455
local terms energy: -146.852381
where:
bonds (distance) C4'-P energy: -31.607
bonds (distance) P-C4' energy: -33.951
flat angles C4'-P-C4' energy: -37.879
flat angles P-C4'-P energy: -17.645
tors. eta vs tors. theta energy: -25.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -244.233336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.233336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.233336 (E_RNA)
where:
Base-Base interactions energy: -109.862
where: short stacking energy: -60.667
Base-Backbone interact. energy: -0.800
local terms energy: -133.571165
where:
bonds (distance) C4'-P energy: -28.192
bonds (distance) P-C4' energy: -34.586
flat angles C4'-P-C4' energy: -34.743
flat angles P-C4'-P energy: -33.563
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: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -184.872590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.872590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.872590 (E_RNA)
where:
Base-Base interactions energy: -73.840
where: short stacking energy: -51.170
Base-Backbone interact. energy: -0.657
local terms energy: -110.375679
where:
bonds (distance) C4'-P energy: -34.087
bonds (distance) P-C4' energy: -43.106
flat angles C4'-P-C4' energy: -26.301
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: 0.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -167.719987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.719987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.719987 (E_RNA)
where:
Base-Base interactions energy: -58.995
where: short stacking energy: -51.027
Base-Backbone interact. energy: -0.603
local terms energy: -108.121231
where:
bonds (distance) C4'-P energy: -34.416
bonds (distance) P-C4' energy: -39.868
flat angles C4'-P-C4' energy: -26.908
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: 4.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -648.595464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.595464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.595464 (E_RNA)
where:
Base-Base interactions energy: -441.201
where: short stacking energy: -184.971
Base-Backbone interact. energy: -0.047
local terms energy: -207.347481
where:
bonds (distance) C4'-P energy: -42.990
bonds (distance) P-C4' energy: -38.440
flat angles C4'-P-C4' energy: -43.862
flat angles P-C4'-P energy: -29.983
tors. eta vs tors. theta energy: -52.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -603.351474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.351474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.351474 (E_RNA)
where:
Base-Base interactions energy: -396.281
where: short stacking energy: -170.872
Base-Backbone interact. energy: 2.232
local terms energy: -209.301767
where:
bonds (distance) C4'-P energy: -39.591
bonds (distance) P-C4' energy: -38.317
flat angles C4'-P-C4' energy: -44.688
flat angles P-C4'-P energy: -32.856
tors. eta vs tors. theta energy: -53.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -608.925456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.925456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.925456 (E_RNA)
where:
Base-Base interactions energy: -394.640
where: short stacking energy: -192.008
Base-Backbone interact. energy: -0.332
local terms energy: -213.953896
where:
bonds (distance) C4'-P energy: -34.426
bonds (distance) P-C4' energy: -36.838
flat angles C4'-P-C4' energy: -44.380
flat angles P-C4'-P energy: -33.857
tors. eta vs tors. theta energy: -64.453
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: 9
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -603.285518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.285518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.285518 (E_RNA)
where:
Base-Base interactions energy: -401.891
where: short stacking energy: -161.711
Base-Backbone interact. energy: -0.558
local terms energy: -200.836272
where:
bonds (distance) C4'-P energy: -37.813
bonds (distance) P-C4' energy: -38.718
flat angles C4'-P-C4' energy: -47.132
flat angles P-C4'-P energy: -30.425
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: 5, replica: 1
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -552.031537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.031537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.031537 (E_RNA)
where:
Base-Base interactions energy: -366.970
where: short stacking energy: -156.088
Base-Backbone interact. energy: -0.614
local terms energy: -184.447507
where:
bonds (distance) C4'-P energy: -28.651
bonds (distance) P-C4' energy: -44.526
flat angles C4'-P-C4' energy: -42.458
flat angles P-C4'-P energy: -28.595
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: 6, replica: 2
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -480.463022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.463022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.463022 (E_RNA)
where:
Base-Base interactions energy: -282.794
where: short stacking energy: -129.954
Base-Backbone interact. energy: 0.571
local terms energy: -198.240523
where:
bonds (distance) C4'-P energy: -41.789
bonds (distance) P-C4' energy: -41.234
flat angles C4'-P-C4' energy: -43.626
flat angles P-C4'-P energy: -21.987
tors. eta vs tors. theta energy: -49.605
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: 4
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -355.638154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.638154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.638154 (E_RNA)
where:
Base-Base interactions energy: -199.256
where: short stacking energy: -99.874
Base-Backbone interact. energy: -0.482
local terms energy: -155.900893
where:
bonds (distance) C4'-P energy: -30.420
bonds (distance) P-C4' energy: -45.108
flat angles C4'-P-C4' energy: -32.254
flat angles P-C4'-P energy: -25.941
tors. eta vs tors. theta energy: -22.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -254.632283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.632283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.632283 (E_RNA)
where:
Base-Base interactions energy: -125.763
where: short stacking energy: -77.007
Base-Backbone interact. energy: -0.775
local terms energy: -128.094706
where:
bonds (distance) C4'-P energy: -30.970
bonds (distance) P-C4' energy: -31.296
flat angles C4'-P-C4' energy: -35.922
flat angles P-C4'-P energy: -20.789
tors. eta vs tors. theta energy: -9.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -169.158898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.158898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.158898 (E_RNA)
where:
Base-Base interactions energy: -45.755
where: short stacking energy: -23.000
Base-Backbone interact. energy: -2.695
local terms energy: -120.709420
where:
bonds (distance) C4'-P energy: -37.806
bonds (distance) P-C4' energy: -39.575
flat angles C4'-P-C4' energy: -31.701
flat angles P-C4'-P energy: -26.210
tors. eta vs tors. theta energy: 14.581
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: 210
Temperature: 1.350000
Total energy: -165.201851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.201851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.201851 (E_RNA)
where:
Base-Base interactions energy: -48.344
where: short stacking energy: -32.466
Base-Backbone interact. energy: -0.996
local terms energy: -115.862080
where:
bonds (distance) C4'-P energy: -26.530
bonds (distance) P-C4' energy: -43.088
flat angles C4'-P-C4' energy: -23.067
flat angles P-C4'-P energy: -26.969
tors. eta vs tors. theta energy: 3.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -651.269802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.269802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.269802 (E_RNA)
where:
Base-Base interactions energy: -442.435
where: short stacking energy: -184.012
Base-Backbone interact. energy: -0.192
local terms energy: -208.642942
where:
bonds (distance) C4'-P energy: -37.353
bonds (distance) P-C4' energy: -38.591
flat angles C4'-P-C4' energy: -45.306
flat angles P-C4'-P energy: -27.807
tors. eta vs tors. theta energy: -59.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -636.032281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.032281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.032281 (E_RNA)
where:
Base-Base interactions energy: -414.908
where: short stacking energy: -201.403
Base-Backbone interact. energy: -0.218
local terms energy: -220.906387
where:
bonds (distance) C4'-P energy: -41.914
bonds (distance) P-C4' energy: -37.307
flat angles C4'-P-C4' energy: -40.736
flat angles P-C4'-P energy: -33.847
tors. eta vs tors. theta energy: -67.102
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: 3, replica: 5
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -623.184977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.184977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.184977 (E_RNA)
where:
Base-Base interactions energy: -416.238
where: short stacking energy: -192.121
Base-Backbone interact. energy: -0.380
local terms energy: -206.566936
where:
bonds (distance) C4'-P energy: -40.930
bonds (distance) P-C4' energy: -36.269
flat angles C4'-P-C4' energy: -43.304
flat angles P-C4'-P energy: -29.593
tors. eta vs tors. theta energy: -56.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -594.034055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.034055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.034055 (E_RNA)
where:
Base-Base interactions energy: -408.984
where: short stacking energy: -155.072
Base-Backbone interact. energy: -0.232
local terms energy: -184.818051
where:
bonds (distance) C4'-P energy: -32.661
bonds (distance) P-C4' energy: -39.135
flat angles C4'-P-C4' energy: -39.952
flat angles P-C4'-P energy: -26.311
tors. eta vs tors. theta energy: -46.758
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: 211
Temperature: 1.100000
Total energy: -552.169650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.169650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.169650 (E_RNA)
where:
Base-Base interactions energy: -373.245
where: short stacking energy: -156.567
Base-Backbone interact. energy: -1.297
local terms energy: -177.627638
where:
bonds (distance) C4'-P energy: -35.049
bonds (distance) P-C4' energy: -32.131
flat angles C4'-P-C4' energy: -35.526
flat angles P-C4'-P energy: -32.222
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: 6, replica: 2
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -521.707122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.707122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.707122 (E_RNA)
where:
Base-Base interactions energy: -350.299
where: short stacking energy: -138.992
Base-Backbone interact. energy: -0.634
local terms energy: -170.774232
where:
bonds (distance) C4'-P energy: -37.716
bonds (distance) P-C4' energy: -34.297
flat angles C4'-P-C4' energy: -36.164
flat angles P-C4'-P energy: -20.464
tors. eta vs tors. theta energy: -42.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -345.632258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.632258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.632258 (E_RNA)
where:
Base-Base interactions energy: -205.139
where: short stacking energy: -105.497
Base-Backbone interact. energy: 1.209
local terms energy: -141.702470
where:
bonds (distance) C4'-P energy: -39.475
bonds (distance) P-C4' energy: -29.773
flat angles C4'-P-C4' energy: -29.875
flat angles P-C4'-P energy: -21.105
tors. eta vs tors. theta energy: -21.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -225.325046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.325046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.325046 (E_RNA)
where:
Base-Base interactions energy: -96.900
where: short stacking energy: -64.612
Base-Backbone interact. energy: 0.965
local terms energy: -129.389266
where:
bonds (distance) C4'-P energy: -28.781
bonds (distance) P-C4' energy: -39.740
flat angles C4'-P-C4' energy: -38.024
flat angles P-C4'-P energy: -17.776
tors. eta vs tors. theta energy: -5.068
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: 9, replica: 6
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -186.629412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.629412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.629412 (E_RNA)
where:
Base-Base interactions energy: -68.713
where: short stacking energy: -55.863
Base-Backbone interact. energy: -0.050
local terms energy: -117.866085
where:
bonds (distance) C4'-P energy: -32.096
bonds (distance) P-C4' energy: -37.741
flat angles C4'-P-C4' energy: -31.956
flat angles P-C4'-P energy: -17.241
tors. eta vs tors. theta energy: 1.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -171.311128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.311128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.311128 (E_RNA)
where:
Base-Base interactions energy: -62.815
where: short stacking energy: -47.198
Base-Backbone interact. energy: 0.489
local terms energy: -108.984676
where:
bonds (distance) C4'-P energy: -33.092
bonds (distance) P-C4' energy: -21.826
flat angles C4'-P-C4' energy: -36.317
flat angles P-C4'-P energy: -18.343
tors. eta vs tors. theta energy: 0.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -633.281520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.281520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.281520 (E_RNA)
where:
Base-Base interactions energy: -423.301
where: short stacking energy: -180.652
Base-Backbone interact. energy: -0.169
local terms energy: -209.810895
where:
bonds (distance) C4'-P energy: -32.768
bonds (distance) P-C4' energy: -44.316
flat angles C4'-P-C4' energy: -45.437
flat angles P-C4'-P energy: -29.392
tors. eta vs tors. theta energy: -57.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -617.573971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.573971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.573971 (E_RNA)
where:
Base-Base interactions energy: -415.107
where: short stacking energy: -190.705
Base-Backbone interact. energy: -0.709
local terms energy: -201.758278
where:
bonds (distance) C4'-P energy: -36.889
bonds (distance) P-C4' energy: -34.735
flat angles C4'-P-C4' energy: -39.369
flat angles P-C4'-P energy: -26.689
tors. eta vs tors. theta energy: -64.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -635.840728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.840728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.840728 (E_RNA)
where:
Base-Base interactions energy: -430.207
where: short stacking energy: -177.710
Base-Backbone interact. energy: -0.580
local terms energy: -205.053707
where:
bonds (distance) C4'-P energy: -36.515
bonds (distance) P-C4' energy: -37.196
flat angles C4'-P-C4' energy: -42.230
flat angles P-C4'-P energy: -33.085
tors. eta vs tors. theta energy: -56.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -594.504527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.504527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.504527 (E_RNA)
where:
Base-Base interactions energy: -402.171
where: short stacking energy: -170.934
Base-Backbone interact. energy: -0.089
local terms energy: -192.243889
where:
bonds (distance) C4'-P energy: -36.576
bonds (distance) P-C4' energy: -40.020
flat angles C4'-P-C4' energy: -44.911
flat angles P-C4'-P energy: -23.222
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: 5, replica: 1
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -553.577492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.577492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.577492 (E_RNA)
where:
Base-Base interactions energy: -370.300
where: short stacking energy: -155.831
Base-Backbone interact. energy: -1.104
local terms energy: -182.173940
where:
bonds (distance) C4'-P energy: -40.817
bonds (distance) P-C4' energy: -35.354
flat angles C4'-P-C4' energy: -40.814
flat angles P-C4'-P energy: -19.479
tors. eta vs tors. theta energy: -45.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -520.267887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.267887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.267887 (E_RNA)
where:
Base-Base interactions energy: -342.972
where: short stacking energy: -156.974
Base-Backbone interact. energy: -0.778
local terms energy: -176.518082
where:
bonds (distance) C4'-P energy: -33.234
bonds (distance) P-C4' energy: -40.608
flat angles C4'-P-C4' energy: -35.356
flat angles P-C4'-P energy: -22.736
tors. eta vs tors. theta energy: -44.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -329.949721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.949721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.949721 (E_RNA)
where:
Base-Base interactions energy: -186.890
where: short stacking energy: -94.898
Base-Backbone interact. energy: -0.859
local terms energy: -142.200221
where:
bonds (distance) C4'-P energy: -27.309
bonds (distance) P-C4' energy: -33.992
flat angles C4'-P-C4' energy: -33.359
flat angles P-C4'-P energy: -24.240
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: 212
Temperature: 1.250000
Total energy: -188.329338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.329338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.329338 (E_RNA)
where:
Base-Base interactions energy: -62.852
where: short stacking energy: -46.131
Base-Backbone interact. energy: 2.028
local terms energy: -127.505095
where:
bonds (distance) C4'-P energy: -35.985
bonds (distance) P-C4' energy: -41.287
flat angles C4'-P-C4' energy: -23.094
flat angles P-C4'-P energy: -24.808
tors. eta vs tors. theta energy: -2.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -168.249661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.249661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.249661 (E_RNA)
where:
Base-Base interactions energy: -54.434
where: short stacking energy: -43.651
Base-Backbone interact. energy: -0.415
local terms energy: -113.400647
where:
bonds (distance) C4'-P energy: -32.921
bonds (distance) P-C4' energy: -33.171
flat angles C4'-P-C4' energy: -29.574
flat angles P-C4'-P energy: -20.521
tors. eta vs tors. theta energy: 2.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -158.431131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.431131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.431131 (E_RNA)
where:
Base-Base interactions energy: -44.043
where: short stacking energy: -38.610
Base-Backbone interact. energy: -1.151
local terms energy: -113.237376
where:
bonds (distance) C4'-P energy: -38.153
bonds (distance) P-C4' energy: -38.377
flat angles C4'-P-C4' energy: -33.774
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: 11.411
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: 213
Temperature: 0.900000
Total energy: -638.317241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.317241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.317241 (E_RNA)
where:
Base-Base interactions energy: -428.805
where: short stacking energy: -176.028
Base-Backbone interact. energy: -0.785
local terms energy: -208.726492
where:
bonds (distance) C4'-P energy: -35.498
bonds (distance) P-C4' energy: -47.479
flat angles C4'-P-C4' energy: -40.892
flat angles P-C4'-P energy: -31.156
tors. eta vs tors. theta energy: -53.702
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: 5
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -646.303995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.303995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.303995 (E_RNA)
where:
Base-Base interactions energy: -438.008
where: short stacking energy: -178.135
Base-Backbone interact. energy: -1.589
local terms energy: -206.707006
where:
bonds (distance) C4'-P energy: -39.909
bonds (distance) P-C4' energy: -34.942
flat angles C4'-P-C4' energy: -45.123
flat angles P-C4'-P energy: -28.053
tors. eta vs tors. theta energy: -58.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -602.005964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.005964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.005964 (E_RNA)
where:
Base-Base interactions energy: -397.553
where: short stacking energy: -180.473
Base-Backbone interact. energy: -0.700
local terms energy: -203.752491
where:
bonds (distance) C4'-P energy: -29.810
bonds (distance) P-C4' energy: -43.879
flat angles C4'-P-C4' energy: -37.897
flat angles P-C4'-P energy: -31.360
tors. eta vs tors. theta energy: -60.806
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: 9
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -617.081174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.081174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.081174 (E_RNA)
where:
Base-Base interactions energy: -409.306
where: short stacking energy: -175.847
Base-Backbone interact. energy: -0.557
local terms energy: -207.218750
where:
bonds (distance) C4'-P energy: -33.978
bonds (distance) P-C4' energy: -40.889
flat angles C4'-P-C4' energy: -47.408
flat angles P-C4'-P energy: -30.942
tors. eta vs tors. theta energy: -54.002
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: 1
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -543.494119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.494119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.494119 (E_RNA)
where:
Base-Base interactions energy: -367.675
where: short stacking energy: -158.727
Base-Backbone interact. energy: -0.271
local terms energy: -175.547876
where:
bonds (distance) C4'-P energy: -28.114
bonds (distance) P-C4' energy: -40.524
flat angles C4'-P-C4' energy: -41.540
flat angles P-C4'-P energy: -27.362
tors. eta vs tors. theta energy: -38.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -509.252927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.252927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.252927 (E_RNA)
where:
Base-Base interactions energy: -333.103
where: short stacking energy: -158.314
Base-Backbone interact. energy: 0.478
local terms energy: -176.627645
where:
bonds (distance) C4'-P energy: -39.836
bonds (distance) P-C4' energy: -34.205
flat angles C4'-P-C4' energy: -36.927
flat angles P-C4'-P energy: -20.938
tors. eta vs tors. theta energy: -44.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -299.596536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.596536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.596536 (E_RNA)
where:
Base-Base interactions energy: -163.648
where: short stacking energy: -95.735
Base-Backbone interact. energy: 2.433
local terms energy: -138.381476
where:
bonds (distance) C4'-P energy: -31.642
bonds (distance) P-C4' energy: -28.781
flat angles C4'-P-C4' energy: -36.993
flat angles P-C4'-P energy: -20.187
tors. eta vs tors. theta energy: -20.779
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: 213
Temperature: 1.250000
Total energy: -200.978086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.978086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.978086 (E_RNA)
where:
Base-Base interactions energy: -79.523
where: short stacking energy: -69.506
Base-Backbone interact. energy: -2.302
local terms energy: -119.152549
where:
bonds (distance) C4'-P energy: -27.706
bonds (distance) P-C4' energy: -38.799
flat angles C4'-P-C4' energy: -36.678
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -3.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -190.294834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.294834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.294834 (E_RNA)
where:
Base-Base interactions energy: -75.705
where: short stacking energy: -64.598
Base-Backbone interact. energy: 0.865
local terms energy: -115.454550
where:
bonds (distance) C4'-P energy: -34.465
bonds (distance) P-C4' energy: -37.155
flat angles C4'-P-C4' energy: -24.909
flat angles P-C4'-P energy: -17.482
tors. eta vs tors. theta energy: -1.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -183.524530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.524530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.524530 (E_RNA)
where:
Base-Base interactions energy: -73.968
where: short stacking energy: -42.263
Base-Backbone interact. energy: 0.442
local terms energy: -109.997789
where:
bonds (distance) C4'-P energy: -33.955
bonds (distance) P-C4' energy: -36.259
flat angles C4'-P-C4' energy: -20.116
flat angles P-C4'-P energy: -21.094
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: 5
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -651.407353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.407353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.407353 (E_RNA)
where:
Base-Base interactions energy: -442.429
where: short stacking energy: -194.175
Base-Backbone interact. energy: -0.301
local terms energy: -208.676801
where:
bonds (distance) C4'-P energy: -38.145
bonds (distance) P-C4' energy: -37.353
flat angles C4'-P-C4' energy: -41.471
flat angles P-C4'-P energy: -30.510
tors. eta vs tors. theta energy: -61.198
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: 3
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -642.719895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.719895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.719895 (E_RNA)
where:
Base-Base interactions energy: -436.304
where: short stacking energy: -180.984
Base-Backbone interact. energy: 1.966
local terms energy: -208.382067
where:
bonds (distance) C4'-P energy: -45.727
bonds (distance) P-C4' energy: -35.826
flat angles C4'-P-C4' energy: -45.677
flat angles P-C4'-P energy: -28.916
tors. eta vs tors. theta energy: -52.236
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: 7
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -596.145503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.145503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.145503 (E_RNA)
where:
Base-Base interactions energy: -390.449
where: short stacking energy: -188.883
Base-Backbone interact. energy: -0.790
local terms energy: -204.906587
where:
bonds (distance) C4'-P energy: -39.677
bonds (distance) P-C4' energy: -31.370
flat angles C4'-P-C4' energy: -34.955
flat angles P-C4'-P energy: -35.352
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: 4, replica: 9
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -574.397799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.397799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.397799 (E_RNA)
where:
Base-Base interactions energy: -372.020
where: short stacking energy: -178.141
Base-Backbone interact. energy: -0.457
local terms energy: -201.920655
where:
bonds (distance) C4'-P energy: -31.704
bonds (distance) P-C4' energy: -45.015
flat angles C4'-P-C4' energy: -40.397
flat angles P-C4'-P energy: -26.802
tors. eta vs tors. theta energy: -58.003
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: 2
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -494.404188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.404188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.404188 (E_RNA)
where:
Base-Base interactions energy: -310.282
where: short stacking energy: -156.787
Base-Backbone interact. energy: -1.079
local terms energy: -183.042777
where:
bonds (distance) C4'-P energy: -45.440
bonds (distance) P-C4' energy: -37.006
flat angles C4'-P-C4' energy: -36.324
flat angles P-C4'-P energy: -18.349
tors. eta vs tors. theta energy: -45.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -527.875751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.875751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.875751 (E_RNA)
where:
Base-Base interactions energy: -349.615
where: short stacking energy: -151.854
Base-Backbone interact. energy: 4.159
local terms energy: -182.418945
where:
bonds (distance) C4'-P energy: -38.139
bonds (distance) P-C4' energy: -35.001
flat angles C4'-P-C4' energy: -37.037
flat angles P-C4'-P energy: -26.316
tors. eta vs tors. theta energy: -45.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -303.839988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.839988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.839988 (E_RNA)
where:
Base-Base interactions energy: -159.927
where: short stacking energy: -85.746
Base-Backbone interact. energy: -0.722
local terms energy: -143.190879
where:
bonds (distance) C4'-P energy: -35.785
bonds (distance) P-C4' energy: -34.217
flat angles C4'-P-C4' energy: -36.055
flat angles P-C4'-P energy: -24.032
tors. eta vs tors. theta energy: -13.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -183.078960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.078960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.078960 (E_RNA)
where:
Base-Base interactions energy: -54.415
where: short stacking energy: -54.581
Base-Backbone interact. energy: 0.982
local terms energy: -129.645824
where:
bonds (distance) C4'-P energy: -36.030
bonds (distance) P-C4' energy: -35.747
flat angles C4'-P-C4' energy: -24.425
flat angles P-C4'-P energy: -33.208
tors. eta vs tors. theta energy: -0.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -188.162069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.162069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.162069 (E_RNA)
where:
Base-Base interactions energy: -92.979
where: short stacking energy: -55.499
Base-Backbone interact. energy: 0.347
local terms energy: -95.530142
where:
bonds (distance) C4'-P energy: -37.929
bonds (distance) P-C4' energy: -27.482
flat angles C4'-P-C4' energy: -19.077
flat angles P-C4'-P energy: -15.959
tors. eta vs tors. theta energy: 4.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -174.684398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.684398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.684398 (E_RNA)
where:
Base-Base interactions energy: -58.341
where: short stacking energy: -46.155
Base-Backbone interact. energy: -1.270
local terms energy: -115.073458
where:
bonds (distance) C4'-P energy: -31.927
bonds (distance) P-C4' energy: -34.823
flat angles C4'-P-C4' energy: -24.287
flat angles P-C4'-P energy: -22.575
tors. eta vs tors. theta energy: -1.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -660.261240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.261240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.261240 (E_RNA)
where:
Base-Base interactions energy: -425.357
where: short stacking energy: -192.728
Base-Backbone interact. energy: -0.932
local terms energy: -233.972357
where:
bonds (distance) C4'-P energy: -45.146
bonds (distance) P-C4' energy: -41.164
flat angles C4'-P-C4' energy: -50.125
flat angles P-C4'-P energy: -35.907
tors. eta vs tors. theta energy: -61.630
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: 215
Temperature: 0.950000
Total energy: -646.901448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.901448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.901448 (E_RNA)
where:
Base-Base interactions energy: -446.095
where: short stacking energy: -175.319
Base-Backbone interact. energy: -0.168
local terms energy: -200.637886
where:
bonds (distance) C4'-P energy: -37.463
bonds (distance) P-C4' energy: -42.064
flat angles C4'-P-C4' energy: -40.929
flat angles P-C4'-P energy: -23.177
tors. eta vs tors. theta energy: -57.005
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: 3, replica: 7
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -605.347473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.347473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.347473 (E_RNA)
where:
Base-Base interactions energy: -386.834
where: short stacking energy: -186.107
Base-Backbone interact. energy: 1.647
local terms energy: -220.160159
where:
bonds (distance) C4'-P energy: -42.839
bonds (distance) P-C4' energy: -42.905
flat angles C4'-P-C4' energy: -43.916
flat angles P-C4'-P energy: -32.566
tors. eta vs tors. theta energy: -57.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -611.590194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.590194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.590194 (E_RNA)
where:
Base-Base interactions energy: -410.942
where: short stacking energy: -182.943
Base-Backbone interact. energy: -0.024
local terms energy: -200.624788
where:
bonds (distance) C4'-P energy: -29.495
bonds (distance) P-C4' energy: -41.790
flat angles C4'-P-C4' energy: -41.535
flat angles P-C4'-P energy: -30.702
tors. eta vs tors. theta energy: -57.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -508.398199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.398199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.398199 (E_RNA)
where:
Base-Base interactions energy: -325.157
where: short stacking energy: -158.443
Base-Backbone interact. energy: -0.968
local terms energy: -182.272572
where:
bonds (distance) C4'-P energy: -38.084
bonds (distance) P-C4' energy: -37.166
flat angles C4'-P-C4' energy: -38.242
flat angles P-C4'-P energy: -29.494
tors. eta vs tors. theta energy: -39.285
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: 1
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -532.372826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.372826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.372826 (E_RNA)
where:
Base-Base interactions energy: -353.350
where: short stacking energy: -146.579
Base-Backbone interact. energy: -1.244
local terms energy: -177.778803
where:
bonds (distance) C4'-P energy: -40.285
bonds (distance) P-C4' energy: -30.630
flat angles C4'-P-C4' energy: -37.584
flat angles P-C4'-P energy: -26.047
tors. eta vs tors. theta energy: -43.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -293.217037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.217037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.217037 (E_RNA)
where:
Base-Base interactions energy: -149.635
where: short stacking energy: -84.383
Base-Backbone interact. energy: 0.677
local terms energy: -144.259647
where:
bonds (distance) C4'-P energy: -33.191
bonds (distance) P-C4' energy: -41.315
flat angles C4'-P-C4' energy: -38.443
flat angles P-C4'-P energy: -17.060
tors. eta vs tors. theta energy: -14.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -201.915025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.915025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.915025 (E_RNA)
where:
Base-Base interactions energy: -72.039
where: short stacking energy: -53.487
Base-Backbone interact. energy: 2.112
local terms energy: -131.987539
where:
bonds (distance) C4'-P energy: -36.399
bonds (distance) P-C4' energy: -35.746
flat angles C4'-P-C4' energy: -34.046
flat angles P-C4'-P energy: -20.045
tors. eta vs tors. theta energy: -5.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -193.781487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.781487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.781487 (E_RNA)
where:
Base-Base interactions energy: -64.143
where: short stacking energy: -55.694
Base-Backbone interact. energy: -1.342
local terms energy: -128.296200
where:
bonds (distance) C4'-P energy: -38.436
bonds (distance) P-C4' energy: -37.478
flat angles C4'-P-C4' energy: -30.162
flat angles P-C4'-P energy: -28.492
tors. eta vs tors. theta energy: 6.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -173.186239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.186239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.186239 (E_RNA)
where:
Base-Base interactions energy: -58.849
where: short stacking energy: -37.391
Base-Backbone interact. energy: 0.320
local terms energy: -114.657156
where:
bonds (distance) C4'-P energy: -40.637
bonds (distance) P-C4' energy: -23.323
flat angles C4'-P-C4' energy: -24.580
flat angles P-C4'-P energy: -26.460
tors. eta vs tors. theta energy: 0.343
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: 3
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -651.403155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.403155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.403155 (E_RNA)
where:
Base-Base interactions energy: -450.333
where: short stacking energy: -184.592
Base-Backbone interact. energy: 0.151
local terms energy: -201.221462
where:
bonds (distance) C4'-P energy: -43.652
bonds (distance) P-C4' energy: -39.943
flat angles C4'-P-C4' energy: -37.411
flat angles P-C4'-P energy: -30.104
tors. eta vs tors. theta energy: -50.112
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: 2, replica: 5
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -648.671820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.671820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.671820 (E_RNA)
where:
Base-Base interactions energy: -438.672
where: short stacking energy: -189.397
Base-Backbone interact. energy: -0.669
local terms energy: -209.330244
where:
bonds (distance) C4'-P energy: -38.667
bonds (distance) P-C4' energy: -40.769
flat angles C4'-P-C4' energy: -46.522
flat angles P-C4'-P energy: -24.470
tors. eta vs tors. theta energy: -58.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -625.943916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.943916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.943916 (E_RNA)
where:
Base-Base interactions energy: -419.485
where: short stacking energy: -177.157
Base-Backbone interact. energy: -1.013
local terms energy: -205.445782
where:
bonds (distance) C4'-P energy: -35.274
bonds (distance) P-C4' energy: -39.207
flat angles C4'-P-C4' energy: -49.457
flat angles P-C4'-P energy: -26.635
tors. eta vs tors. theta energy: -54.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -596.726288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.726288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.726288 (E_RNA)
where:
Base-Base interactions energy: -399.776
where: short stacking energy: -185.882
Base-Backbone interact. energy: -0.427
local terms energy: -196.523134
where:
bonds (distance) C4'-P energy: -39.039
bonds (distance) P-C4' energy: -32.867
flat angles C4'-P-C4' energy: -34.212
flat angles P-C4'-P energy: -29.243
tors. eta vs tors. theta energy: -61.162
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: 5, replica: 1
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -557.975968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.975968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.975968 (E_RNA)
where:
Base-Base interactions energy: -361.476
where: short stacking energy: -180.087
Base-Backbone interact. energy: -0.198
local terms energy: -196.302092
where:
bonds (distance) C4'-P energy: -34.451
bonds (distance) P-C4' energy: -43.133
flat angles C4'-P-C4' energy: -38.525
flat angles P-C4'-P energy: -27.227
tors. eta vs tors. theta energy: -52.966
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: 6, replica: 2
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -495.486638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.486638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.486638 (E_RNA)
where:
Base-Base interactions energy: -331.306
where: short stacking energy: -134.039
Base-Backbone interact. energy: 0.796
local terms energy: -164.977052
where:
bonds (distance) C4'-P energy: -33.784
bonds (distance) P-C4' energy: -34.417
flat angles C4'-P-C4' energy: -30.597
flat angles P-C4'-P energy: -30.274
tors. eta vs tors. theta energy: -35.904
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: 4
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -306.313961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.313961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.313961 (E_RNA)
where:
Base-Base interactions energy: -165.764
where: short stacking energy: -85.805
Base-Backbone interact. energy: -0.347
local terms energy: -140.202630
where:
bonds (distance) C4'-P energy: -36.574
bonds (distance) P-C4' energy: -27.618
flat angles C4'-P-C4' energy: -34.281
flat angles P-C4'-P energy: -22.486
tors. eta vs tors. theta energy: -19.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -213.672843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.672843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.672843 (E_RNA)
where:
Base-Base interactions energy: -88.946
where: short stacking energy: -39.968
Base-Backbone interact. energy: -0.362
local terms energy: -124.365153
where:
bonds (distance) C4'-P energy: -39.872
bonds (distance) P-C4' energy: -40.335
flat angles C4'-P-C4' energy: -26.923
flat angles P-C4'-P energy: -18.097
tors. eta vs tors. theta energy: 0.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -181.554274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.554274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.554274 (E_RNA)
where:
Base-Base interactions energy: -62.649
where: short stacking energy: -45.273
Base-Backbone interact. energy: 0.560
local terms energy: -119.465486
where:
bonds (distance) C4'-P energy: -35.635
bonds (distance) P-C4' energy: -34.369
flat angles C4'-P-C4' energy: -34.255
flat angles P-C4'-P energy: -20.731
tors. eta vs tors. theta energy: 5.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -174.799286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.799286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.799286 (E_RNA)
where:
Base-Base interactions energy: -50.751
where: short stacking energy: -35.135
Base-Backbone interact. energy: -0.277
local terms energy: -123.771550
where:
bonds (distance) C4'-P energy: -33.115
bonds (distance) P-C4' energy: -39.279
flat angles C4'-P-C4' energy: -28.663
flat angles P-C4'-P energy: -26.061
tors. eta vs tors. theta energy: 3.347
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: 3
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -655.533535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.533535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.533535 (E_RNA)
where:
Base-Base interactions energy: -449.975
where: short stacking energy: -189.132
Base-Backbone interact. energy: 0.504
local terms energy: -206.062687
where:
bonds (distance) C4'-P energy: -39.336
bonds (distance) P-C4' energy: -37.779
flat angles C4'-P-C4' energy: -44.038
flat angles P-C4'-P energy: -27.647
tors. eta vs tors. theta energy: -57.263
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: 9
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -636.718098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.718098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.718098 (E_RNA)
where:
Base-Base interactions energy: -421.683
where: short stacking energy: -190.835
Base-Backbone interact. energy: 0.326
local terms energy: -215.361258
where:
bonds (distance) C4'-P energy: -34.202
bonds (distance) P-C4' energy: -44.496
flat angles C4'-P-C4' energy: -39.751
flat angles P-C4'-P energy: -32.731
tors. eta vs tors. theta energy: -64.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -628.282300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.282300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.282300 (E_RNA)
where:
Base-Base interactions energy: -428.365
where: short stacking energy: -190.281
Base-Backbone interact. energy: -0.407
local terms energy: -199.509773
where:
bonds (distance) C4'-P energy: -38.805
bonds (distance) P-C4' energy: -36.841
flat angles C4'-P-C4' energy: -42.852
flat angles P-C4'-P energy: -22.739
tors. eta vs tors. theta energy: -58.272
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: 1
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -564.748577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.748577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.748577 (E_RNA)
where:
Base-Base interactions energy: -375.281
where: short stacking energy: -163.599
Base-Backbone interact. energy: -0.989
local terms energy: -188.477901
where:
bonds (distance) C4'-P energy: -34.327
bonds (distance) P-C4' energy: -37.009
flat angles C4'-P-C4' energy: -37.219
flat angles P-C4'-P energy: -31.109
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: 5, replica: 7
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -573.971368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.971368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.971368 (E_RNA)
where:
Base-Base interactions energy: -371.951
where: short stacking energy: -178.507
Base-Backbone interact. energy: 0.506
local terms energy: -202.526583
where:
bonds (distance) C4'-P energy: -37.245
bonds (distance) P-C4' energy: -42.005
flat angles C4'-P-C4' energy: -40.240
flat angles P-C4'-P energy: -31.269
tors. eta vs tors. theta energy: -51.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -474.857981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.857981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.857981 (E_RNA)
where:
Base-Base interactions energy: -300.083
where: short stacking energy: -136.790
Base-Backbone interact. energy: -0.392
local terms energy: -174.382826
where:
bonds (distance) C4'-P energy: -38.517
bonds (distance) P-C4' energy: -33.679
flat angles C4'-P-C4' energy: -39.260
flat angles P-C4'-P energy: -26.333
tors. eta vs tors. theta energy: -36.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -330.084223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.084223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.084223 (E_RNA)
where:
Base-Base interactions energy: -175.866
where: short stacking energy: -91.291
Base-Backbone interact. energy: -1.059
local terms energy: -153.160105
where:
bonds (distance) C4'-P energy: -37.383
bonds (distance) P-C4' energy: -38.616
flat angles C4'-P-C4' energy: -28.754
flat angles P-C4'-P energy: -21.260
tors. eta vs tors. theta energy: -27.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -184.990595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.990595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.990595 (E_RNA)
where:
Base-Base interactions energy: -62.156
where: short stacking energy: -45.705
Base-Backbone interact. energy: -0.773
local terms energy: -122.061906
where:
bonds (distance) C4'-P energy: -32.570
bonds (distance) P-C4' energy: -38.092
flat angles C4'-P-C4' energy: -26.901
flat angles P-C4'-P energy: -26.362
tors. eta vs tors. theta energy: 1.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -191.623915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.623915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.623915 (E_RNA)
where:
Base-Base interactions energy: -84.750
where: short stacking energy: -66.725
Base-Backbone interact. energy: 4.448
local terms energy: -111.322125
where:
bonds (distance) C4'-P energy: -27.993
bonds (distance) P-C4' energy: -31.337
flat angles C4'-P-C4' energy: -31.885
flat angles P-C4'-P energy: -22.224
tors. eta vs tors. theta energy: 2.117
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: 10, replica: 10
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -179.100595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.100595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.100595 (E_RNA)
where:
Base-Base interactions energy: -55.268
where: short stacking energy: -48.137
Base-Backbone interact. energy: -0.744
local terms energy: -123.088655
where:
bonds (distance) C4'-P energy: -34.065
bonds (distance) P-C4' energy: -36.162
flat angles C4'-P-C4' energy: -32.352
flat angles P-C4'-P energy: -22.446
tors. eta vs tors. theta energy: 1.936
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: 3
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -659.437674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.437674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.437674 (E_RNA)
where:
Base-Base interactions energy: -452.081
where: short stacking energy: -178.334
Base-Backbone interact. energy: -0.908
local terms energy: -206.449459
where:
bonds (distance) C4'-P energy: -38.155
bonds (distance) P-C4' energy: -43.860
flat angles C4'-P-C4' energy: -40.401
flat angles P-C4'-P energy: -28.744
tors. eta vs tors. theta energy: -55.288
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: 2, replica: 9
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -626.811675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.811675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.811675 (E_RNA)
where:
Base-Base interactions energy: -415.714
where: short stacking energy: -184.306
Base-Backbone interact. energy: 0.783
local terms energy: -211.881202
where:
bonds (distance) C4'-P energy: -43.859
bonds (distance) P-C4' energy: -42.640
flat angles C4'-P-C4' energy: -38.844
flat angles P-C4'-P energy: -27.545
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: 3, replica: 5
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -624.050572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.050572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.050572 (E_RNA)
where:
Base-Base interactions energy: -415.112
where: short stacking energy: -192.010
Base-Backbone interact. energy: -1.467
local terms energy: -207.470966
where:
bonds (distance) C4'-P energy: -40.071
bonds (distance) P-C4' energy: -32.410
flat angles C4'-P-C4' energy: -45.419
flat angles P-C4'-P energy: -30.737
tors. eta vs tors. theta energy: -58.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -556.188832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.188832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.188832 (E_RNA)
where:
Base-Base interactions energy: -363.428
where: short stacking energy: -147.923
Base-Backbone interact. energy: -1.413
local terms energy: -191.347584
where:
bonds (distance) C4'-P energy: -40.853
bonds (distance) P-C4' energy: -45.519
flat angles C4'-P-C4' energy: -40.823
flat angles P-C4'-P energy: -26.070
tors. eta vs tors. theta energy: -38.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -568.236452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.236452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.236452 (E_RNA)
where:
Base-Base interactions energy: -382.319
where: short stacking energy: -189.813
Base-Backbone interact. energy: -2.044
local terms energy: -183.873625
where:
bonds (distance) C4'-P energy: -27.995
bonds (distance) P-C4' energy: -29.866
flat angles C4'-P-C4' energy: -38.378
flat angles P-C4'-P energy: -30.524
tors. eta vs tors. theta energy: -57.110
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: 2
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -473.651331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.651331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.651331 (E_RNA)
where:
Base-Base interactions energy: -305.674
where: short stacking energy: -131.997
Base-Backbone interact. energy: -0.870
local terms energy: -167.106814
where:
bonds (distance) C4'-P energy: -40.004
bonds (distance) P-C4' energy: -34.866
flat angles C4'-P-C4' energy: -39.256
flat angles P-C4'-P energy: -27.029
tors. eta vs tors. theta energy: -25.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -210.635764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.635764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.635764 (E_RNA)
where:
Base-Base interactions energy: -73.193
where: short stacking energy: -69.683
Base-Backbone interact. energy: -1.450
local terms energy: -135.993130
where:
bonds (distance) C4'-P energy: -35.941
bonds (distance) P-C4' energy: -30.511
flat angles C4'-P-C4' energy: -36.436
flat angles P-C4'-P energy: -28.009
tors. eta vs tors. theta energy: -5.097
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: 4
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -331.768629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.768629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.768629 (E_RNA)
where:
Base-Base interactions energy: -195.312
where: short stacking energy: -95.902
Base-Backbone interact. energy: -0.399
local terms energy: -136.057457
where:
bonds (distance) C4'-P energy: -29.427
bonds (distance) P-C4' energy: -35.461
flat angles C4'-P-C4' energy: -34.182
flat angles P-C4'-P energy: -22.302
tors. eta vs tors. theta energy: -14.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -186.522648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.522648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.522648 (E_RNA)
where:
Base-Base interactions energy: -63.715
where: short stacking energy: -63.105
Base-Backbone interact. energy: 2.060
local terms energy: -124.867799
where:
bonds (distance) C4'-P energy: -36.723
bonds (distance) P-C4' energy: -38.399
flat angles C4'-P-C4' energy: -27.511
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -8.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -168.082499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.082499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.082499 (E_RNA)
where:
Base-Base interactions energy: -56.568
where: short stacking energy: -50.171
Base-Backbone interact. energy: -0.397
local terms energy: -111.117419
where:
bonds (distance) C4'-P energy: -37.540
bonds (distance) P-C4' energy: -27.107
flat angles C4'-P-C4' energy: -25.818
flat angles P-C4'-P energy: -17.707
tors. eta vs tors. theta energy: -2.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -655.887719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.887719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.887719 (E_RNA)
where:
Base-Base interactions energy: -451.829
where: short stacking energy: -190.207
Base-Backbone interact. energy: -0.210
local terms energy: -203.847847
where:
bonds (distance) C4'-P energy: -42.872
bonds (distance) P-C4' energy: -39.835
flat angles C4'-P-C4' energy: -42.207
flat angles P-C4'-P energy: -19.481
tors. eta vs tors. theta energy: -59.453
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: 5
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -634.389229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.389229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.389229 (E_RNA)
where:
Base-Base interactions energy: -438.978
where: short stacking energy: -183.979
Base-Backbone interact. energy: -1.594
local terms energy: -193.817389
where:
bonds (distance) C4'-P energy: -39.768
bonds (distance) P-C4' energy: -34.501
flat angles C4'-P-C4' energy: -35.718
flat angles P-C4'-P energy: -33.662
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: 3, replica: 9
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -618.574235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.574235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.574235 (E_RNA)
where:
Base-Base interactions energy: -400.447
where: short stacking energy: -177.020
Base-Backbone interact. energy: 0.538
local terms energy: -218.665167
where:
bonds (distance) C4'-P energy: -38.792
bonds (distance) P-C4' energy: -41.971
flat angles C4'-P-C4' energy: -44.712
flat angles P-C4'-P energy: -33.842
tors. eta vs tors. theta energy: -59.348
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: 7
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -593.770096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.770096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.770096 (E_RNA)
where:
Base-Base interactions energy: -383.784
where: short stacking energy: -185.732
Base-Backbone interact. energy: -0.318
local terms energy: -209.668053
where:
bonds (distance) C4'-P energy: -38.494
bonds (distance) P-C4' energy: -40.901
flat angles C4'-P-C4' energy: -36.484
flat angles P-C4'-P energy: -31.564
tors. eta vs tors. theta energy: -62.225
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: 1
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -562.906141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.906141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.906141 (E_RNA)
where:
Base-Base interactions energy: -377.365
where: short stacking energy: -163.122
Base-Backbone interact. energy: -0.449
local terms energy: -185.091544
where:
bonds (distance) C4'-P energy: -34.497
bonds (distance) P-C4' energy: -43.804
flat angles C4'-P-C4' energy: -36.879
flat angles P-C4'-P energy: -34.154
tors. eta vs tors. theta energy: -35.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -483.846237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.846237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.846237 (E_RNA)
where:
Base-Base interactions energy: -314.326
where: short stacking energy: -136.892
Base-Backbone interact. energy: 2.386
local terms energy: -171.906202
where:
bonds (distance) C4'-P energy: -28.113
bonds (distance) P-C4' energy: -36.905
flat angles C4'-P-C4' energy: -38.073
flat angles P-C4'-P energy: -29.486
tors. eta vs tors. theta energy: -39.329
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: 8
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -219.290008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.290008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.290008 (E_RNA)
where:
Base-Base interactions energy: -80.646
where: short stacking energy: -65.728
Base-Backbone interact. energy: 0.352
local terms energy: -138.996057
where:
bonds (distance) C4'-P energy: -40.764
bonds (distance) P-C4' energy: -39.397
flat angles C4'-P-C4' energy: -34.248
flat angles P-C4'-P energy: -18.017
tors. eta vs tors. theta energy: -6.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -363.730449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.730449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.730449 (E_RNA)
where:
Base-Base interactions energy: -203.578
where: short stacking energy: -99.522
Base-Backbone interact. energy: -0.815
local terms energy: -159.337699
where:
bonds (distance) C4'-P energy: -40.544
bonds (distance) P-C4' energy: -41.696
flat angles C4'-P-C4' energy: -33.937
flat angles P-C4'-P energy: -21.645
tors. eta vs tors. theta energy: -21.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -177.338981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.338981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.338981 (E_RNA)
where:
Base-Base interactions energy: -66.654
where: short stacking energy: -44.488
Base-Backbone interact. energy: -0.017
local terms energy: -110.668084
where:
bonds (distance) C4'-P energy: -33.102
bonds (distance) P-C4' energy: -30.788
flat angles C4'-P-C4' energy: -33.464
flat angles P-C4'-P energy: -16.077
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: 219
Temperature: 1.350000
Total energy: -165.649447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.649447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.649447 (E_RNA)
where:
Base-Base interactions energy: -50.975
where: short stacking energy: -40.559
Base-Backbone interact. energy: -0.462
local terms energy: -114.212031
where:
bonds (distance) C4'-P energy: -45.010
bonds (distance) P-C4' energy: -30.147
flat angles C4'-P-C4' energy: -32.714
flat angles P-C4'-P energy: -18.018
tors. eta vs tors. theta energy: 11.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -659.843387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.843387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.843387 (E_RNA)
where:
Base-Base interactions energy: -455.140
where: short stacking energy: -167.202
Base-Backbone interact. energy: -1.058
local terms energy: -203.645317
where:
bonds (distance) C4'-P energy: -40.875
bonds (distance) P-C4' energy: -35.485
flat angles C4'-P-C4' energy: -39.871
flat angles P-C4'-P energy: -28.354
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: 2, replica: 5
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -638.913621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.913621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.913621 (E_RNA)
where:
Base-Base interactions energy: -441.448
where: short stacking energy: -180.808
Base-Backbone interact. energy: 0.238
local terms energy: -197.703839
where:
bonds (distance) C4'-P energy: -38.112
bonds (distance) P-C4' energy: -38.684
flat angles C4'-P-C4' energy: -40.877
flat angles P-C4'-P energy: -26.821
tors. eta vs tors. theta energy: -53.210
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: 3, replica: 9
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -611.660693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.660693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.660693 (E_RNA)
where:
Base-Base interactions energy: -402.576
where: short stacking energy: -164.309
Base-Backbone interact. energy: -0.530
local terms energy: -208.554312
where:
bonds (distance) C4'-P energy: -35.712
bonds (distance) P-C4' energy: -41.676
flat angles C4'-P-C4' energy: -40.455
flat angles P-C4'-P energy: -27.495
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: 4, replica: 7
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -597.748540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.748540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.748540 (E_RNA)
where:
Base-Base interactions energy: -398.076
where: short stacking energy: -178.796
Base-Backbone interact. energy: -1.692
local terms energy: -197.980773
where:
bonds (distance) C4'-P energy: -39.699
bonds (distance) P-C4' energy: -37.816
flat angles C4'-P-C4' energy: -38.556
flat angles P-C4'-P energy: -23.462
tors. eta vs tors. theta energy: -58.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -550.066763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.066763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.066763 (E_RNA)
where:
Base-Base interactions energy: -379.406
where: short stacking energy: -169.388
Base-Backbone interact. energy: -1.635
local terms energy: -169.025432
where:
bonds (distance) C4'-P energy: -35.927
bonds (distance) P-C4' energy: -35.489
flat angles C4'-P-C4' energy: -33.424
flat angles P-C4'-P energy: -19.718
tors. eta vs tors. theta energy: -44.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -487.183257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.183257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.183257 (E_RNA)
where:
Base-Base interactions energy: -323.809
where: short stacking energy: -136.252
Base-Backbone interact. energy: 0.730
local terms energy: -164.104921
where:
bonds (distance) C4'-P energy: -33.215
bonds (distance) P-C4' energy: -33.132
flat angles C4'-P-C4' energy: -36.604
flat angles P-C4'-P energy: -26.608
tors. eta vs tors. theta energy: -34.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -355.343644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.343644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.343644 (E_RNA)
where:
Base-Base interactions energy: -187.664
where: short stacking energy: -107.055
Base-Backbone interact. energy: -1.709
local terms energy: -165.970804
where:
bonds (distance) C4'-P energy: -33.119
bonds (distance) P-C4' energy: -44.158
flat angles C4'-P-C4' energy: -38.960
flat angles P-C4'-P energy: -21.459
tors. eta vs tors. theta energy: -28.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -200.296548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.296548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.296548 (E_RNA)
where:
Base-Base interactions energy: -74.005
where: short stacking energy: -63.837
Base-Backbone interact. energy: -0.039
local terms energy: -126.252847
where:
bonds (distance) C4'-P energy: -38.732
bonds (distance) P-C4' energy: -28.096
flat angles C4'-P-C4' energy: -36.406
flat angles P-C4'-P energy: -18.809
tors. eta vs tors. theta energy: -4.210
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: 9, replica: 6
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -175.756258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.756258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.756258 (E_RNA)
where:
Base-Base interactions energy: -65.339
where: short stacking energy: -46.177
Base-Backbone interact. energy: 3.914
local terms energy: -114.331130
where:
bonds (distance) C4'-P energy: -37.674
bonds (distance) P-C4' energy: -33.725
flat angles C4'-P-C4' energy: -24.554
flat angles P-C4'-P energy: -21.716
tors. eta vs tors. theta energy: 3.338
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: 10
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -166.471486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.471486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.471486 (E_RNA)
where:
Base-Base interactions energy: -56.172
where: short stacking energy: -41.074
Base-Backbone interact. energy: -0.489
local terms energy: -109.809612
where:
bonds (distance) C4'-P energy: -46.557
bonds (distance) P-C4' energy: -28.343
flat angles C4'-P-C4' energy: -29.347
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: 5.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -664.493207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.493207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.493207 (E_RNA)
where:
Base-Base interactions energy: -452.236
where: short stacking energy: -192.066
Base-Backbone interact. energy: -0.024
local terms energy: -212.232768
where:
bonds (distance) C4'-P energy: -43.093
bonds (distance) P-C4' energy: -39.115
flat angles C4'-P-C4' energy: -41.639
flat angles P-C4'-P energy: -28.000
tors. eta vs tors. theta energy: -60.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -624.421408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.421408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.421408 (E_RNA)
where:
Base-Base interactions energy: -414.642
where: short stacking energy: -177.701
Base-Backbone interact. energy: -1.432
local terms energy: -208.347456
where:
bonds (distance) C4'-P energy: -37.589
bonds (distance) P-C4' energy: -42.092
flat angles C4'-P-C4' energy: -43.833
flat angles P-C4'-P energy: -30.205
tors. eta vs tors. theta energy: -54.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -619.496585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.496585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.496585 (E_RNA)
where:
Base-Base interactions energy: -415.146
where: short stacking energy: -177.946
Base-Backbone interact. energy: 0.155
local terms energy: -204.505589
where:
bonds (distance) C4'-P energy: -43.054
bonds (distance) P-C4' energy: -39.726
flat angles C4'-P-C4' energy: -43.447
flat angles P-C4'-P energy: -22.559
tors. eta vs tors. theta energy: -55.718
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: 7
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -587.046830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.046830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.046830 (E_RNA)
where:
Base-Base interactions energy: -382.171
where: short stacking energy: -175.638
Base-Backbone interact. energy: -0.856
local terms energy: -204.019151
where:
bonds (distance) C4'-P energy: -37.022
bonds (distance) P-C4' energy: -36.292
flat angles C4'-P-C4' energy: -41.612
flat angles P-C4'-P energy: -31.755
tors. eta vs tors. theta energy: -57.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -575.736053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.736053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.736053 (E_RNA)
where:
Base-Base interactions energy: -385.683
where: short stacking energy: -161.828
Base-Backbone interact. energy: -0.519
local terms energy: -189.533876
where:
bonds (distance) C4'-P energy: -28.678
bonds (distance) P-C4' energy: -42.497
flat angles C4'-P-C4' energy: -43.766
flat angles P-C4'-P energy: -21.555
tors. eta vs tors. theta energy: -53.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -480.029123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.029123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.029123 (E_RNA)
where:
Base-Base interactions energy: -317.143
where: short stacking energy: -147.147
Base-Backbone interact. energy: -0.922
local terms energy: -161.964125
where:
bonds (distance) C4'-P energy: -36.002
bonds (distance) P-C4' energy: -40.791
flat angles C4'-P-C4' energy: -31.056
flat angles P-C4'-P energy: -23.940
tors. eta vs tors. theta energy: -30.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -334.200822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.200822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.200822 (E_RNA)
where:
Base-Base interactions energy: -195.991
where: short stacking energy: -93.393
Base-Backbone interact. energy: -0.898
local terms energy: -137.311511
where:
bonds (distance) C4'-P energy: -33.981
bonds (distance) P-C4' energy: -29.789
flat angles C4'-P-C4' energy: -36.545
flat angles P-C4'-P energy: -18.094
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: 8, replica: 8
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -190.919947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.919947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.919947 (E_RNA)
where:
Base-Base interactions energy: -74.823
where: short stacking energy: -51.312
Base-Backbone interact. energy: 1.260
local terms energy: -117.357618
where:
bonds (distance) C4'-P energy: -23.593
bonds (distance) P-C4' energy: -33.893
flat angles C4'-P-C4' energy: -37.526
flat angles P-C4'-P energy: -25.355
tors. eta vs tors. theta energy: 3.009
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: 9, replica: 6
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -195.854549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.854549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.854549 (E_RNA)
where:
Base-Base interactions energy: -66.953
where: short stacking energy: -66.015
Base-Backbone interact. energy: -0.492
local terms energy: -128.409174
where:
bonds (distance) C4'-P energy: -36.003
bonds (distance) P-C4' energy: -32.477
flat angles C4'-P-C4' energy: -36.400
flat angles P-C4'-P energy: -18.499
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: 10, replica: 10
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -173.939357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.939357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.939357 (E_RNA)
where:
Base-Base interactions energy: -55.374
where: short stacking energy: -43.792
Base-Backbone interact. energy: -0.791
local terms energy: -117.774728
where:
bonds (distance) C4'-P energy: -41.331
bonds (distance) P-C4' energy: -32.320
flat angles C4'-P-C4' energy: -24.621
flat angles P-C4'-P energy: -24.321
tors. eta vs tors. theta energy: 4.818
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: 1, replica: 3
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -678.379390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.379390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.379390 (E_RNA)
where:
Base-Base interactions energy: -474.649
where: short stacking energy: -189.827
Base-Backbone interact. energy: -1.376
local terms energy: -202.353985
where:
bonds (distance) C4'-P energy: -37.691
bonds (distance) P-C4' energy: -32.780
flat angles C4'-P-C4' energy: -45.071
flat angles P-C4'-P energy: -24.299
tors. eta vs tors. theta energy: -62.512
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: 5
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -641.131912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.131912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.131912 (E_RNA)
where:
Base-Base interactions energy: -443.012
where: short stacking energy: -191.499
Base-Backbone interact. energy: -1.001
local terms energy: -197.118497
where:
bonds (distance) C4'-P energy: -30.645
bonds (distance) P-C4' energy: -39.846
flat angles C4'-P-C4' energy: -43.659
flat angles P-C4'-P energy: -25.420
tors. eta vs tors. theta energy: -57.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -619.733461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.733461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.733461 (E_RNA)
where:
Base-Base interactions energy: -418.862
where: short stacking energy: -182.951
Base-Backbone interact. energy: -0.064
local terms energy: -200.807758
where:
bonds (distance) C4'-P energy: -32.788
bonds (distance) P-C4' energy: -43.008
flat angles C4'-P-C4' energy: -40.426
flat angles P-C4'-P energy: -26.989
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: 4, replica: 7
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -586.846632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.846632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.846632 (E_RNA)
where:
Base-Base interactions energy: -385.109
where: short stacking energy: -183.766
Base-Backbone interact. energy: -0.221
local terms energy: -201.516602
where:
bonds (distance) C4'-P energy: -40.773
bonds (distance) P-C4' energy: -35.009
flat angles C4'-P-C4' energy: -41.745
flat angles P-C4'-P energy: -24.427
tors. eta vs tors. theta energy: -59.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -510.530352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.530352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.530352 (E_RNA)
where:
Base-Base interactions energy: -322.431
where: short stacking energy: -151.440
Base-Backbone interact. energy: -0.650
local terms energy: -187.449593
where:
bonds (distance) C4'-P energy: -41.657
bonds (distance) P-C4' energy: -31.708
flat angles C4'-P-C4' energy: -41.848
flat angles P-C4'-P energy: -26.918
tors. eta vs tors. theta energy: -45.318
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: 1
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -563.477591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.477591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.477591 (E_RNA)
where:
Base-Base interactions energy: -388.858
where: short stacking energy: -173.642
Base-Backbone interact. energy: -0.718
local terms energy: -173.901530
where:
bonds (distance) C4'-P energy: -31.622
bonds (distance) P-C4' energy: -38.202
flat angles C4'-P-C4' energy: -35.513
flat angles P-C4'-P energy: -18.395
tors. eta vs tors. theta energy: -50.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -321.197839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.197839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.197839 (E_RNA)
where:
Base-Base interactions energy: -172.878
where: short stacking energy: -89.245
Base-Backbone interact. energy: -0.351
local terms energy: -147.968333
where:
bonds (distance) C4'-P energy: -32.832
bonds (distance) P-C4' energy: -39.890
flat angles C4'-P-C4' energy: -39.578
flat angles P-C4'-P energy: -22.322
tors. eta vs tors. theta energy: -13.347
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: 8, replica: 8
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -189.060097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.060097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.060097 (E_RNA)
where:
Base-Base interactions energy: -76.492
where: short stacking energy: -60.960
Base-Backbone interact. energy: -1.070
local terms energy: -111.498156
where:
bonds (distance) C4'-P energy: -34.278
bonds (distance) P-C4' energy: -39.027
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -18.247
tors. eta vs tors. theta energy: 1.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -203.819726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.819726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.819726 (E_RNA)
where:
Base-Base interactions energy: -74.261
where: short stacking energy: -47.802
Base-Backbone interact. energy: -0.178
local terms energy: -129.380965
where:
bonds (distance) C4'-P energy: -31.118
bonds (distance) P-C4' energy: -37.201
flat angles C4'-P-C4' energy: -30.332
flat angles P-C4'-P energy: -32.695
tors. eta vs tors. theta energy: 1.964
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: 222
Temperature: 1.350000
Total energy: -182.801597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.801597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.801597 (E_RNA)
where:
Base-Base interactions energy: -54.056
where: short stacking energy: -46.809
Base-Backbone interact. energy: 2.395
local terms energy: -131.140369
where:
bonds (distance) C4'-P energy: -32.494
bonds (distance) P-C4' energy: -38.336
flat angles C4'-P-C4' energy: -35.850
flat angles P-C4'-P energy: -17.757
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: 1, replica: 3
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -648.758384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.758384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.758384 (E_RNA)
where:
Base-Base interactions energy: -454.738
where: short stacking energy: -190.982
Base-Backbone interact. energy: 0.815
local terms energy: -194.835115
where:
bonds (distance) C4'-P energy: -39.234
bonds (distance) P-C4' energy: -33.307
flat angles C4'-P-C4' energy: -36.561
flat angles P-C4'-P energy: -26.343
tors. eta vs tors. theta energy: -59.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -621.749888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.749888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.749888 (E_RNA)
where:
Base-Base interactions energy: -412.556
where: short stacking energy: -182.564
Base-Backbone interact. energy: -0.442
local terms energy: -208.752423
where:
bonds (distance) C4'-P energy: -36.476
bonds (distance) P-C4' energy: -38.325
flat angles C4'-P-C4' energy: -45.512
flat angles P-C4'-P energy: -31.400
tors. eta vs tors. theta energy: -57.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -629.253344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.253344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.253344 (E_RNA)
where:
Base-Base interactions energy: -422.162
where: short stacking energy: -182.953
Base-Backbone interact. energy: -0.518
local terms energy: -206.572518
where:
bonds (distance) C4'-P energy: -40.265
bonds (distance) P-C4' energy: -33.364
flat angles C4'-P-C4' energy: -42.893
flat angles P-C4'-P energy: -31.840
tors. eta vs tors. theta energy: -58.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -512.141278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.141278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.141278 (E_RNA)
where:
Base-Base interactions energy: -325.700
where: short stacking energy: -155.176
Base-Backbone interact. energy: -0.486
local terms energy: -185.954827
where:
bonds (distance) C4'-P energy: -36.562
bonds (distance) P-C4' energy: -37.101
flat angles C4'-P-C4' energy: -36.387
flat angles P-C4'-P energy: -31.523
tors. eta vs tors. theta energy: -44.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -579.621026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.621026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.621026 (E_RNA)
where:
Base-Base interactions energy: -374.281
where: short stacking energy: -174.460
Base-Backbone interact. energy: -0.629
local terms energy: -204.711134
where:
bonds (distance) C4'-P energy: -35.807
bonds (distance) P-C4' energy: -39.877
flat angles C4'-P-C4' energy: -41.538
flat angles P-C4'-P energy: -28.688
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: 6, replica: 1
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -552.226440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.226440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.226440 (E_RNA)
where:
Base-Base interactions energy: -386.837
where: short stacking energy: -162.801
Base-Backbone interact. energy: -0.210
local terms energy: -165.179587
where:
bonds (distance) C4'-P energy: -35.070
bonds (distance) P-C4' energy: -26.886
flat angles C4'-P-C4' energy: -33.113
flat angles P-C4'-P energy: -29.448
tors. eta vs tors. theta energy: -40.662
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: 4
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -368.650970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.650970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.650970 (E_RNA)
where:
Base-Base interactions energy: -218.857
where: short stacking energy: -108.532
Base-Backbone interact. energy: 0.773
local terms energy: -150.567280
where:
bonds (distance) C4'-P energy: -36.549
bonds (distance) P-C4' energy: -34.819
flat angles C4'-P-C4' energy: -20.815
flat angles P-C4'-P energy: -24.683
tors. eta vs tors. theta energy: -33.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -199.221287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.221287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.221287 (E_RNA)
where:
Base-Base interactions energy: -71.175
where: short stacking energy: -62.980
Base-Backbone interact. energy: -0.716
local terms energy: -127.330386
where:
bonds (distance) C4'-P energy: -32.492
bonds (distance) P-C4' energy: -39.410
flat angles C4'-P-C4' energy: -39.193
flat angles P-C4'-P energy: -18.092
tors. eta vs tors. theta energy: 1.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -178.560158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.560158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.560158 (E_RNA)
where:
Base-Base interactions energy: -59.585
where: short stacking energy: -53.948
Base-Backbone interact. energy: 1.156
local terms energy: -120.130745
where:
bonds (distance) C4'-P energy: -23.610
bonds (distance) P-C4' energy: -46.539
flat angles C4'-P-C4' energy: -28.437
flat angles P-C4'-P energy: -16.140
tors. eta vs tors. theta energy: -5.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -167.196588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.196588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.196588 (E_RNA)
where:
Base-Base interactions energy: -50.246
where: short stacking energy: -47.493
Base-Backbone interact. energy: -0.592
local terms energy: -116.358632
where:
bonds (distance) C4'-P energy: -37.802
bonds (distance) P-C4' energy: -34.128
flat angles C4'-P-C4' energy: -29.406
flat angles P-C4'-P energy: -13.871
tors. eta vs tors. theta energy: -1.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -663.964570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.964570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.964570 (E_RNA)
where:
Base-Base interactions energy: -435.641
where: short stacking energy: -192.552
Base-Backbone interact. energy: -0.812
local terms energy: -227.512380
where:
bonds (distance) C4'-P energy: -41.809
bonds (distance) P-C4' energy: -40.713
flat angles C4'-P-C4' energy: -48.292
flat angles P-C4'-P energy: -31.853
tors. eta vs tors. theta energy: -64.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -631.150398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.150398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.150398 (E_RNA)
where:
Base-Base interactions energy: -425.757
where: short stacking energy: -187.217
Base-Backbone interact. energy: -1.424
local terms energy: -203.969171
where:
bonds (distance) C4'-P energy: -37.041
bonds (distance) P-C4' energy: -40.234
flat angles C4'-P-C4' energy: -44.363
flat angles P-C4'-P energy: -32.188
tors. eta vs tors. theta energy: -50.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -620.722085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.722085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.722085 (E_RNA)
where:
Base-Base interactions energy: -413.258
where: short stacking energy: -176.969
Base-Backbone interact. energy: -0.191
local terms energy: -207.272580
where:
bonds (distance) C4'-P energy: -38.904
bonds (distance) P-C4' energy: -37.415
flat angles C4'-P-C4' energy: -39.810
flat angles P-C4'-P energy: -28.647
tors. eta vs tors. theta energy: -62.497
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: 2
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -546.119696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.119696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.119696 (E_RNA)
where:
Base-Base interactions energy: -350.511
where: short stacking energy: -156.576
Base-Backbone interact. energy: -0.938
local terms energy: -194.670908
where:
bonds (distance) C4'-P energy: -41.487
bonds (distance) P-C4' energy: -32.460
flat angles C4'-P-C4' energy: -45.891
flat angles P-C4'-P energy: -27.476
tors. eta vs tors. theta energy: -47.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -570.558095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.558095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.558095 (E_RNA)
where:
Base-Base interactions energy: -382.580
where: short stacking energy: -183.355
Base-Backbone interact. energy: -0.203
local terms energy: -187.775048
where:
bonds (distance) C4'-P energy: -29.822
bonds (distance) P-C4' energy: -39.819
flat angles C4'-P-C4' energy: -35.714
flat angles P-C4'-P energy: -25.851
tors. eta vs tors. theta energy: -56.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -556.690125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.690125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.690125 (E_RNA)
where:
Base-Base interactions energy: -371.049
where: short stacking energy: -142.416
Base-Backbone interact. energy: 0.172
local terms energy: -185.813550
where:
bonds (distance) C4'-P energy: -33.074
bonds (distance) P-C4' energy: -41.062
flat angles C4'-P-C4' energy: -37.888
flat angles P-C4'-P energy: -30.584
tors. eta vs tors. theta energy: -43.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -348.358648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.358648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.358648 (E_RNA)
where:
Base-Base interactions energy: -192.398
where: short stacking energy: -106.209
Base-Backbone interact. energy: 0.086
local terms energy: -156.047094
where:
bonds (distance) C4'-P energy: -32.947
bonds (distance) P-C4' energy: -29.500
flat angles C4'-P-C4' energy: -40.645
flat angles P-C4'-P energy: -26.960
tors. eta vs tors. theta energy: -25.994
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: 8, replica: 10
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -205.809717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.809717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.809717 (E_RNA)
where:
Base-Base interactions energy: -72.842
where: short stacking energy: -50.848
Base-Backbone interact. energy: -0.889
local terms energy: -132.079094
where:
bonds (distance) C4'-P energy: -33.310
bonds (distance) P-C4' energy: -39.192
flat angles C4'-P-C4' energy: -39.300
flat angles P-C4'-P energy: -23.278
tors. eta vs tors. theta energy: 3.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -193.661408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.661408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.661408 (E_RNA)
where:
Base-Base interactions energy: -71.258
where: short stacking energy: -55.650
Base-Backbone interact. energy: -0.272
local terms energy: -122.132019
where:
bonds (distance) C4'-P energy: -31.023
bonds (distance) P-C4' energy: -43.399
flat angles C4'-P-C4' energy: -33.121
flat angles P-C4'-P energy: -16.325
tors. eta vs tors. theta energy: 1.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -175.489360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.489360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.489360 (E_RNA)
where:
Base-Base interactions energy: -47.758
where: short stacking energy: -46.804
Base-Backbone interact. energy: -1.013
local terms energy: -126.718746
where:
bonds (distance) C4'-P energy: -34.790
bonds (distance) P-C4' energy: -38.577
flat angles C4'-P-C4' energy: -34.145
flat angles P-C4'-P energy: -21.941
tors. eta vs tors. theta energy: 2.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -646.443427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.443427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.443427 (E_RNA)
where:
Base-Base interactions energy: -453.566
where: short stacking energy: -189.567
Base-Backbone interact. energy: -0.781
local terms energy: -192.095783
where:
bonds (distance) C4'-P energy: -30.942
bonds (distance) P-C4' energy: -37.739
flat angles C4'-P-C4' energy: -39.470
flat angles P-C4'-P energy: -27.490
tors. eta vs tors. theta energy: -56.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -646.156132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.156132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.156132 (E_RNA)
where:
Base-Base interactions energy: -430.242
where: short stacking energy: -197.193
Base-Backbone interact. energy: 0.435
local terms energy: -216.349603
where:
bonds (distance) C4'-P energy: -44.055
bonds (distance) P-C4' energy: -42.584
flat angles C4'-P-C4' energy: -42.098
flat angles P-C4'-P energy: -25.850
tors. eta vs tors. theta energy: -61.763
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: 3, replica: 5
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -631.808739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.808739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.808739 (E_RNA)
where:
Base-Base interactions energy: -437.819
where: short stacking energy: -192.622
Base-Backbone interact. energy: -1.603
local terms energy: -192.386768
where:
bonds (distance) C4'-P energy: -36.967
bonds (distance) P-C4' energy: -42.155
flat angles C4'-P-C4' energy: -40.926
flat angles P-C4'-P energy: -23.499
tors. eta vs tors. theta energy: -48.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -589.544791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.544791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.544791 (E_RNA)
where:
Base-Base interactions energy: -381.832
where: short stacking energy: -179.516
Base-Backbone interact. energy: -1.134
local terms energy: -206.578234
where:
bonds (distance) C4'-P energy: -38.405
bonds (distance) P-C4' energy: -41.943
flat angles C4'-P-C4' energy: -42.906
flat angles P-C4'-P energy: -25.943
tors. eta vs tors. theta energy: -57.380
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: 225
Temperature: 1.100000
Total energy: -510.561502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.561502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.561502 (E_RNA)
where:
Base-Base interactions energy: -337.034
where: short stacking energy: -151.700
Base-Backbone interact. energy: -0.530
local terms energy: -172.996875
where:
bonds (distance) C4'-P energy: -41.892
bonds (distance) P-C4' energy: -33.113
flat angles C4'-P-C4' energy: -32.646
flat angles P-C4'-P energy: -20.644
tors. eta vs tors. theta energy: -44.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -543.234746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.234746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.234746 (E_RNA)
where:
Base-Base interactions energy: -356.069
where: short stacking energy: -136.295
Base-Backbone interact. energy: -0.214
local terms energy: -186.950950
where:
bonds (distance) C4'-P energy: -41.034
bonds (distance) P-C4' energy: -41.077
flat angles C4'-P-C4' energy: -38.701
flat angles P-C4'-P energy: -27.309
tors. eta vs tors. theta energy: -38.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -326.825833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.825833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.825833 (E_RNA)
where:
Base-Base interactions energy: -187.690
where: short stacking energy: -104.615
Base-Backbone interact. energy: 0.022
local terms energy: -139.157321
where:
bonds (distance) C4'-P energy: -37.857
bonds (distance) P-C4' energy: -23.005
flat angles C4'-P-C4' energy: -39.521
flat angles P-C4'-P energy: -18.954
tors. eta vs tors. theta energy: -19.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -194.449554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.449554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.449554 (E_RNA)
where:
Base-Base interactions energy: -85.663
where: short stacking energy: -77.670
Base-Backbone interact. energy: -0.281
local terms energy: -108.506068
where:
bonds (distance) C4'-P energy: -26.702
bonds (distance) P-C4' energy: -34.321
flat angles C4'-P-C4' energy: -20.004
flat angles P-C4'-P energy: -19.523
tors. eta vs tors. theta energy: -7.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -180.265664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.265664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.265664 (E_RNA)
where:
Base-Base interactions energy: -55.014
where: short stacking energy: -53.949
Base-Backbone interact. energy: -0.909
local terms energy: -124.343256
where:
bonds (distance) C4'-P energy: -38.284
bonds (distance) P-C4' energy: -35.488
flat angles C4'-P-C4' energy: -29.922
flat angles P-C4'-P energy: -19.759
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: 10, replica: 8
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -173.692731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.692731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.692731 (E_RNA)
where:
Base-Base interactions energy: -61.447
where: short stacking energy: -57.072
Base-Backbone interact. energy: -1.470
local terms energy: -110.775454
where:
bonds (distance) C4'-P energy: -31.215
bonds (distance) P-C4' energy: -35.097
flat angles C4'-P-C4' energy: -32.049
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: 1.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -659.249473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.249473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.249473 (E_RNA)
where:
Base-Base interactions energy: -432.880
where: short stacking energy: -198.674
Base-Backbone interact. energy: -0.151
local terms energy: -226.218976
where:
bonds (distance) C4'-P energy: -41.447
bonds (distance) P-C4' energy: -40.024
flat angles C4'-P-C4' energy: -47.126
flat angles P-C4'-P energy: -30.812
tors. eta vs tors. theta energy: -66.809
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: 3
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -649.619144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.619144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.619144 (E_RNA)
where:
Base-Base interactions energy: -423.102
where: short stacking energy: -186.269
Base-Backbone interact. energy: -0.622
local terms energy: -225.895376
where:
bonds (distance) C4'-P energy: -39.360
bonds (distance) P-C4' energy: -43.063
flat angles C4'-P-C4' energy: -46.215
flat angles P-C4'-P energy: -34.350
tors. eta vs tors. theta energy: -62.908
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: 3, replica: 7
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -602.087797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.087797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.087797 (E_RNA)
where:
Base-Base interactions energy: -405.491
where: short stacking energy: -201.165
Base-Backbone interact. energy: -0.510
local terms energy: -196.087082
where:
bonds (distance) C4'-P energy: -30.961
bonds (distance) P-C4' energy: -41.765
flat angles C4'-P-C4' energy: -42.436
flat angles P-C4'-P energy: -24.054
tors. eta vs tors. theta energy: -56.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -583.430666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.430666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.430666 (E_RNA)
where:
Base-Base interactions energy: -396.060
where: short stacking energy: -178.948
Base-Backbone interact. energy: -0.250
local terms energy: -187.120586
where:
bonds (distance) C4'-P energy: -34.142
bonds (distance) P-C4' energy: -40.097
flat angles C4'-P-C4' energy: -42.886
flat angles P-C4'-P energy: -20.563
tors. eta vs tors. theta energy: -49.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -561.228540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.228540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.228540 (E_RNA)
where:
Base-Base interactions energy: -374.702
where: short stacking energy: -165.524
Base-Backbone interact. energy: -1.634
local terms energy: -184.892567
where:
bonds (distance) C4'-P energy: -34.177
bonds (distance) P-C4' energy: -41.242
flat angles C4'-P-C4' energy: -43.080
flat angles P-C4'-P energy: -24.425
tors. eta vs tors. theta energy: -41.969
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: 2
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -487.504286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.504286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.504286 (E_RNA)
where:
Base-Base interactions energy: -304.674
where: short stacking energy: -143.487
Base-Backbone interact. energy: 0.669
local terms energy: -183.499721
where:
bonds (distance) C4'-P energy: -37.101
bonds (distance) P-C4' energy: -30.498
flat angles C4'-P-C4' energy: -40.051
flat angles P-C4'-P energy: -33.127
tors. eta vs tors. theta energy: -42.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -288.030774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.030774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.030774 (E_RNA)
where:
Base-Base interactions energy: -161.759
where: short stacking energy: -76.650
Base-Backbone interact. energy: -1.683
local terms energy: -124.588547
where:
bonds (distance) C4'-P energy: -26.514
bonds (distance) P-C4' energy: -37.876
flat angles C4'-P-C4' energy: -33.629
flat angles P-C4'-P energy: -15.487
tors. eta vs tors. theta energy: -11.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -188.612699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.612699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.612699 (E_RNA)
where:
Base-Base interactions energy: -77.562
where: short stacking energy: -59.334
Base-Backbone interact. energy: -0.909
local terms energy: -110.142238
where:
bonds (distance) C4'-P energy: -23.770
bonds (distance) P-C4' energy: -37.599
flat angles C4'-P-C4' energy: -33.597
flat angles P-C4'-P energy: -22.368
tors. eta vs tors. theta energy: 7.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -179.517222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.517222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.517222 (E_RNA)
where:
Base-Base interactions energy: -56.654
where: short stacking energy: -44.321
Base-Backbone interact. energy: -0.446
local terms energy: -122.416951
where:
bonds (distance) C4'-P energy: -37.021
bonds (distance) P-C4' energy: -40.440
flat angles C4'-P-C4' energy: -36.412
flat angles P-C4'-P energy: -16.971
tors. eta vs tors. theta energy: 8.428
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: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -172.651912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.651912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.651912 (E_RNA)
where:
Base-Base interactions energy: -49.740
where: short stacking energy: -45.995
Base-Backbone interact. energy: -0.828
local terms energy: -122.083844
where:
bonds (distance) C4'-P energy: -29.439
bonds (distance) P-C4' energy: -42.732
flat angles C4'-P-C4' energy: -35.402
flat angles P-C4'-P energy: -20.501
tors. eta vs tors. theta energy: 5.990
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: 9
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -648.401987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.401987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.401987 (E_RNA)
where:
Base-Base interactions energy: -444.407
where: short stacking energy: -184.521
Base-Backbone interact. energy: -0.633
local terms energy: -203.362384
where:
bonds (distance) C4'-P energy: -29.036
bonds (distance) P-C4' energy: -47.415
flat angles C4'-P-C4' energy: -39.511
flat angles P-C4'-P energy: -29.000
tors. eta vs tors. theta energy: -58.400
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: 7
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -616.265072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.265072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.265072 (E_RNA)
where:
Base-Base interactions energy: -405.283
where: short stacking energy: -199.003
Base-Backbone interact. energy: 0.259
local terms energy: -211.240935
where:
bonds (distance) C4'-P energy: -38.169
bonds (distance) P-C4' energy: -33.619
flat angles C4'-P-C4' energy: -44.949
flat angles P-C4'-P energy: -33.643
tors. eta vs tors. theta energy: -60.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -626.663482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.663482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.663482 (E_RNA)
where:
Base-Base interactions energy: -430.807
where: short stacking energy: -188.609
Base-Backbone interact. energy: -0.064
local terms energy: -195.792575
where:
bonds (distance) C4'-P energy: -35.887
bonds (distance) P-C4' energy: -31.480
flat angles C4'-P-C4' energy: -40.125
flat angles P-C4'-P energy: -28.963
tors. eta vs tors. theta energy: -59.337
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: 4, replica: 5
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -571.290285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.290285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.290285 (E_RNA)
where:
Base-Base interactions energy: -376.660
where: short stacking energy: -168.756
Base-Backbone interact. energy: -1.886
local terms energy: -192.743495
where:
bonds (distance) C4'-P energy: -33.924
bonds (distance) P-C4' energy: -30.430
flat angles C4'-P-C4' energy: -41.522
flat angles P-C4'-P energy: -32.237
tors. eta vs tors. theta energy: -54.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -556.375313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.375313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.375313 (E_RNA)
where:
Base-Base interactions energy: -369.736
where: short stacking energy: -161.066
Base-Backbone interact. energy: -0.350
local terms energy: -186.289035
where:
bonds (distance) C4'-P energy: -36.581
bonds (distance) P-C4' energy: -35.411
flat angles C4'-P-C4' energy: -42.109
flat angles P-C4'-P energy: -30.222
tors. eta vs tors. theta energy: -41.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -484.528069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.528069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.528069 (E_RNA)
where:
Base-Base interactions energy: -310.498
where: short stacking energy: -122.056
Base-Backbone interact. energy: 0.249
local terms energy: -174.278933
where:
bonds (distance) C4'-P energy: -33.750
bonds (distance) P-C4' energy: -37.213
flat angles C4'-P-C4' energy: -37.546
flat angles P-C4'-P energy: -31.469
tors. eta vs tors. theta energy: -34.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -254.218431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.218431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.218431 (E_RNA)
where:
Base-Base interactions energy: -123.250
where: short stacking energy: -64.895
Base-Backbone interact. energy: -1.353
local terms energy: -129.615735
where:
bonds (distance) C4'-P energy: -39.185
bonds (distance) P-C4' energy: -38.009
flat angles C4'-P-C4' energy: -33.803
flat angles P-C4'-P energy: -21.429
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: 8, replica: 8
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -215.329536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.329536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.329536 (E_RNA)
where:
Base-Base interactions energy: -86.302
where: short stacking energy: -69.512
Base-Backbone interact. energy: -0.699
local terms energy: -128.327763
where:
bonds (distance) C4'-P energy: -39.849
bonds (distance) P-C4' energy: -35.092
flat angles C4'-P-C4' energy: -27.189
flat angles P-C4'-P energy: -23.176
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: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -184.636447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.636447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.636447 (E_RNA)
where:
Base-Base interactions energy: -62.394
where: short stacking energy: -48.111
Base-Backbone interact. energy: -1.912
local terms energy: -120.330024
where:
bonds (distance) C4'-P energy: -29.506
bonds (distance) P-C4' energy: -37.642
flat angles C4'-P-C4' energy: -28.023
flat angles P-C4'-P energy: -23.209
tors. eta vs tors. theta energy: -1.950
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: 10, replica: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -195.968758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.968758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.968758 (E_RNA)
where:
Base-Base interactions energy: -80.803
where: short stacking energy: -50.250
Base-Backbone interact. energy: -1.142
local terms energy: -114.023679
where:
bonds (distance) C4'-P energy: -31.353
bonds (distance) P-C4' energy: -40.880
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -19.498
tors. eta vs tors. theta energy: -4.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -658.330687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.330687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.330687 (E_RNA)
where:
Base-Base interactions energy: -451.970
where: short stacking energy: -196.161
Base-Backbone interact. energy: 0.553
local terms energy: -206.913523
where:
bonds (distance) C4'-P energy: -39.491
bonds (distance) P-C4' energy: -41.855
flat angles C4'-P-C4' energy: -47.329
flat angles P-C4'-P energy: -22.758
tors. eta vs tors. theta energy: -55.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -603.171776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.171776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.171776 (E_RNA)
where:
Base-Base interactions energy: -388.716
where: short stacking energy: -174.220
Base-Backbone interact. energy: -1.548
local terms energy: -212.907866
where:
bonds (distance) C4'-P energy: -35.654
bonds (distance) P-C4' energy: -43.883
flat angles C4'-P-C4' energy: -46.316
flat angles P-C4'-P energy: -35.042
tors. eta vs tors. theta energy: -52.012
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: 228
Temperature: 1.000000
Total energy: -635.122885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.122885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.122885 (E_RNA)
where:
Base-Base interactions energy: -424.770
where: short stacking energy: -187.266
Base-Backbone interact. energy: -0.055
local terms energy: -210.297661
where:
bonds (distance) C4'-P energy: -41.743
bonds (distance) P-C4' energy: -38.794
flat angles C4'-P-C4' energy: -48.852
flat angles P-C4'-P energy: -25.882
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: 4, replica: 5
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -564.216765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.216765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.216765 (E_RNA)
where:
Base-Base interactions energy: -364.693
where: short stacking energy: -178.071
Base-Backbone interact. energy: -0.846
local terms energy: -198.678073
where:
bonds (distance) C4'-P energy: -34.339
bonds (distance) P-C4' energy: -40.149
flat angles C4'-P-C4' energy: -41.069
flat angles P-C4'-P energy: -33.969
tors. eta vs tors. theta energy: -49.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -560.665605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.665605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.665605 (E_RNA)
where:
Base-Base interactions energy: -380.524
where: short stacking energy: -151.155
Base-Backbone interact. energy: -0.893
local terms energy: -179.249343
where:
bonds (distance) C4'-P energy: -38.733
bonds (distance) P-C4' energy: -34.560
flat angles C4'-P-C4' energy: -36.804
flat angles P-C4'-P energy: -27.559
tors. eta vs tors. theta energy: -41.594
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: 2
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -496.004531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.004531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.004531 (E_RNA)
where:
Base-Base interactions energy: -313.479
where: short stacking energy: -143.110
Base-Backbone interact. energy: -0.092
local terms energy: -182.432824
where:
bonds (distance) C4'-P energy: -35.861
bonds (distance) P-C4' energy: -39.377
flat angles C4'-P-C4' energy: -41.772
flat angles P-C4'-P energy: -23.707
tors. eta vs tors. theta energy: -41.716
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: 8
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -209.213798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.213798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.213798 (E_RNA)
where:
Base-Base interactions energy: -68.579
where: short stacking energy: -60.072
Base-Backbone interact. energy: -3.167
local terms energy: -137.467438
where:
bonds (distance) C4'-P energy: -41.212
bonds (distance) P-C4' energy: -39.313
flat angles C4'-P-C4' energy: -32.830
flat angles P-C4'-P energy: -23.550
tors. eta vs tors. theta energy: -0.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -246.583623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.583623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.583623 (E_RNA)
where:
Base-Base interactions energy: -110.318
where: short stacking energy: -81.917
Base-Backbone interact. energy: -0.591
local terms energy: -135.675116
where:
bonds (distance) C4'-P energy: -29.956
bonds (distance) P-C4' energy: -41.774
flat angles C4'-P-C4' energy: -35.413
flat angles P-C4'-P energy: -18.174
tors. eta vs tors. theta energy: -10.359
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: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -193.843108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.843108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.843108 (E_RNA)
where:
Base-Base interactions energy: -82.553
where: short stacking energy: -56.708
Base-Backbone interact. energy: 0.689
local terms energy: -111.978590
where:
bonds (distance) C4'-P energy: -35.663
bonds (distance) P-C4' energy: -37.378
flat angles C4'-P-C4' energy: -29.705
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: 2.123
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: 10
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -160.242775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.242775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.242775 (E_RNA)
where:
Base-Base interactions energy: -58.004
where: short stacking energy: -39.376
Base-Backbone interact. energy: -0.442
local terms energy: -101.796634
where:
bonds (distance) C4'-P energy: -35.562
bonds (distance) P-C4' energy: -40.673
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -15.938
tors. eta vs tors. theta energy: 4.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -658.264113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.264113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.264113 (E_RNA)
where:
Base-Base interactions energy: -447.292
where: short stacking energy: -194.932
Base-Backbone interact. energy: -0.092
local terms energy: -210.880922
where:
bonds (distance) C4'-P energy: -37.422
bonds (distance) P-C4' energy: -45.276
flat angles C4'-P-C4' energy: -37.929
flat angles P-C4'-P energy: -28.332
tors. eta vs tors. theta energy: -61.922
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: 3
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -633.975166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.975166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.975166 (E_RNA)
where:
Base-Base interactions energy: -413.577
where: short stacking energy: -190.588
Base-Backbone interact. energy: -0.321
local terms energy: -220.077343
where:
bonds (distance) C4'-P energy: -35.806
bonds (distance) P-C4' energy: -46.307
flat angles C4'-P-C4' energy: -44.528
flat angles P-C4'-P energy: -34.565
tors. eta vs tors. theta energy: -58.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -603.014628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.014628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.014628 (E_RNA)
where:
Base-Base interactions energy: -407.242
where: short stacking energy: -193.950
Base-Backbone interact. energy: -1.319
local terms energy: -194.454076
where:
bonds (distance) C4'-P energy: -38.336
bonds (distance) P-C4' energy: -26.919
flat angles C4'-P-C4' energy: -46.865
flat angles P-C4'-P energy: -19.943
tors. eta vs tors. theta energy: -62.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -558.794299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.794299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.794299 (E_RNA)
where:
Base-Base interactions energy: -377.397
where: short stacking energy: -173.561
Base-Backbone interact. energy: 5.296
local terms energy: -186.693903
where:
bonds (distance) C4'-P energy: -34.358
bonds (distance) P-C4' energy: -37.787
flat angles C4'-P-C4' energy: -42.097
flat angles P-C4'-P energy: -27.748
tors. eta vs tors. theta energy: -44.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -551.483319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.483319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.483319 (E_RNA)
where:
Base-Base interactions energy: -361.146
where: short stacking energy: -166.765
Base-Backbone interact. energy: -1.816
local terms energy: -188.521873
where:
bonds (distance) C4'-P energy: -35.003
bonds (distance) P-C4' energy: -37.159
flat angles C4'-P-C4' energy: -41.498
flat angles P-C4'-P energy: -24.560
tors. eta vs tors. theta energy: -50.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -498.895524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.895524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.895524 (E_RNA)
where:
Base-Base interactions energy: -321.437
where: short stacking energy: -136.562
Base-Backbone interact. energy: 1.051
local terms energy: -178.509638
where:
bonds (distance) C4'-P energy: -38.881
bonds (distance) P-C4' energy: -37.627
flat angles C4'-P-C4' energy: -35.705
flat angles P-C4'-P energy: -23.818
tors. eta vs tors. theta energy: -42.478
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: 8
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -213.704342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.704342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.704342 (E_RNA)
where:
Base-Base interactions energy: -77.441
where: short stacking energy: -60.117
Base-Backbone interact. energy: 0.277
local terms energy: -136.541220
where:
bonds (distance) C4'-P energy: -35.746
bonds (distance) P-C4' energy: -43.361
flat angles C4'-P-C4' energy: -33.196
flat angles P-C4'-P energy: -14.917
tors. eta vs tors. theta energy: -9.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -202.594647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.594647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.594647 (E_RNA)
where:
Base-Base interactions energy: -74.698
where: short stacking energy: -61.825
Base-Backbone interact. energy: 1.187
local terms energy: -129.084170
where:
bonds (distance) C4'-P energy: -33.431
bonds (distance) P-C4' energy: -36.215
flat angles C4'-P-C4' energy: -35.970
flat angles P-C4'-P energy: -22.447
tors. eta vs tors. theta energy: -1.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -189.143102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.143102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.143102 (E_RNA)
where:
Base-Base interactions energy: -104.621
where: short stacking energy: -64.860
Base-Backbone interact. energy: -0.736
local terms energy: -83.785946
where:
bonds (distance) C4'-P energy: -25.812
bonds (distance) P-C4' energy: -26.976
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: 2.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -167.466613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.466613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.466613 (E_RNA)
where:
Base-Base interactions energy: -44.721
where: short stacking energy: -43.513
Base-Backbone interact. energy: 1.307
local terms energy: -124.053243
where:
bonds (distance) C4'-P energy: -35.012
bonds (distance) P-C4' energy: -36.306
flat angles C4'-P-C4' energy: -35.084
flat angles P-C4'-P energy: -19.599
tors. eta vs tors. theta energy: 1.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -653.328330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.328330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.328330 (E_RNA)
where:
Base-Base interactions energy: -445.895
where: short stacking energy: -192.566
Base-Backbone interact. energy: -0.369
local terms energy: -207.065270
where:
bonds (distance) C4'-P energy: -38.100
bonds (distance) P-C4' energy: -35.800
flat angles C4'-P-C4' energy: -45.069
flat angles P-C4'-P energy: -25.612
tors. eta vs tors. theta energy: -62.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -641.689774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.689774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.689774 (E_RNA)
where:
Base-Base interactions energy: -442.077
where: short stacking energy: -189.557
Base-Backbone interact. energy: 3.588
local terms energy: -203.201048
where:
bonds (distance) C4'-P energy: -35.944
bonds (distance) P-C4' energy: -40.267
flat angles C4'-P-C4' energy: -40.959
flat angles P-C4'-P energy: -26.095
tors. eta vs tors. theta energy: -59.935
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: 3, replica: 7
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -614.434976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.434976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.434976 (E_RNA)
where:
Base-Base interactions energy: -388.324
where: short stacking energy: -183.498
Base-Backbone interact. energy: -1.382
local terms energy: -224.729120
where:
bonds (distance) C4'-P energy: -42.433
bonds (distance) P-C4' energy: -41.782
flat angles C4'-P-C4' energy: -44.439
flat angles P-C4'-P energy: -30.180
tors. eta vs tors. theta energy: -65.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -561.304311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.304311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.304311 (E_RNA)
where:
Base-Base interactions energy: -372.837
where: short stacking energy: -163.727
Base-Backbone interact. energy: 1.029
local terms energy: -189.496243
where:
bonds (distance) C4'-P energy: -39.024
bonds (distance) P-C4' energy: -37.493
flat angles C4'-P-C4' energy: -44.498
flat angles P-C4'-P energy: -26.565
tors. eta vs tors. theta energy: -41.917
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: 5
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -540.848120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.848120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.848120 (E_RNA)
where:
Base-Base interactions energy: -356.196
where: short stacking energy: -151.199
Base-Backbone interact. energy: -2.182
local terms energy: -182.469936
where:
bonds (distance) C4'-P energy: -39.334
bonds (distance) P-C4' energy: -36.084
flat angles C4'-P-C4' energy: -40.080
flat angles P-C4'-P energy: -23.729
tors. eta vs tors. theta energy: -43.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -490.882366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.882366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.882366 (E_RNA)
where:
Base-Base interactions energy: -313.771
where: short stacking energy: -140.403
Base-Backbone interact. energy: -1.736
local terms energy: -175.375996
where:
bonds (distance) C4'-P energy: -38.090
bonds (distance) P-C4' energy: -33.701
flat angles C4'-P-C4' energy: -40.458
flat angles P-C4'-P energy: -23.651
tors. eta vs tors. theta energy: -39.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -232.149755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.149755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.149755 (E_RNA)
where:
Base-Base interactions energy: -99.348
where: short stacking energy: -56.958
Base-Backbone interact. energy: -1.531
local terms energy: -131.270346
where:
bonds (distance) C4'-P energy: -39.354
bonds (distance) P-C4' energy: -38.408
flat angles C4'-P-C4' energy: -27.748
flat angles P-C4'-P energy: -25.636
tors. eta vs tors. theta energy: -0.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -246.426840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.426840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.426840 (E_RNA)
where:
Base-Base interactions energy: -113.550
where: short stacking energy: -66.112
Base-Backbone interact. energy: 0.357
local terms energy: -133.233503
where:
bonds (distance) C4'-P energy: -35.579
bonds (distance) P-C4' energy: -36.935
flat angles C4'-P-C4' energy: -31.915
flat angles P-C4'-P energy: -18.304
tors. eta vs tors. theta energy: -10.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -205.907645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.907645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.907645 (E_RNA)
where:
Base-Base interactions energy: -81.754
where: short stacking energy: -76.003
Base-Backbone interact. energy: -0.076
local terms energy: -124.077672
where:
bonds (distance) C4'-P energy: -33.649
bonds (distance) P-C4' energy: -40.716
flat angles C4'-P-C4' energy: -31.544
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -6.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -162.226381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.226381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.226381 (E_RNA)
where:
Base-Base interactions energy: -48.471
where: short stacking energy: -44.778
Base-Backbone interact. energy: -1.156
local terms energy: -112.599880
where:
bonds (distance) C4'-P energy: -39.028
bonds (distance) P-C4' energy: -33.293
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -15.936
tors. eta vs tors. theta energy: -6.443
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: 3
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -662.704497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.704497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.704497 (E_RNA)
where:
Base-Base interactions energy: -446.260
where: short stacking energy: -188.349
Base-Backbone interact. energy: -0.269
local terms energy: -216.175148
where:
bonds (distance) C4'-P energy: -45.098
bonds (distance) P-C4' energy: -40.844
flat angles C4'-P-C4' energy: -40.487
flat angles P-C4'-P energy: -30.239
tors. eta vs tors. theta energy: -59.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -653.609746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.609746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.609746 (E_RNA)
where:
Base-Base interactions energy: -445.175
where: short stacking energy: -207.004
Base-Backbone interact. energy: 0.021
local terms energy: -208.455249
where:
bonds (distance) C4'-P energy: -43.309
bonds (distance) P-C4' energy: -36.655
flat angles C4'-P-C4' energy: -41.427
flat angles P-C4'-P energy: -24.745
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: 3, replica: 7
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -604.226853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.226853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.226853 (E_RNA)
where:
Base-Base interactions energy: -395.779
where: short stacking energy: -193.540
Base-Backbone interact. energy: 0.131
local terms energy: -208.578967
where:
bonds (distance) C4'-P energy: -34.868
bonds (distance) P-C4' energy: -42.271
flat angles C4'-P-C4' energy: -44.398
flat angles P-C4'-P energy: -29.890
tors. eta vs tors. theta energy: -57.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -548.085313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.085313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.085313 (E_RNA)
where:
Base-Base interactions energy: -374.463
where: short stacking energy: -164.180
Base-Backbone interact. energy: 0.086
local terms energy: -173.707735
where:
bonds (distance) C4'-P energy: -30.375
bonds (distance) P-C4' energy: -32.610
flat angles C4'-P-C4' energy: -39.127
flat angles P-C4'-P energy: -27.814
tors. eta vs tors. theta energy: -43.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -514.370885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.370885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.370885 (E_RNA)
where:
Base-Base interactions energy: -348.720
where: short stacking energy: -162.095
Base-Backbone interact. energy: 0.744
local terms energy: -166.394728
where:
bonds (distance) C4'-P energy: -25.611
bonds (distance) P-C4' energy: -37.515
flat angles C4'-P-C4' energy: -38.428
flat angles P-C4'-P energy: -18.235
tors. eta vs tors. theta energy: -46.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -482.319078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.319078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.319078 (E_RNA)
where:
Base-Base interactions energy: -300.401
where: short stacking energy: -133.724
Base-Backbone interact. energy: -0.747
local terms energy: -181.171621
where:
bonds (distance) C4'-P energy: -32.519
bonds (distance) P-C4' energy: -37.731
flat angles C4'-P-C4' energy: -45.429
flat angles P-C4'-P energy: -29.448
tors. eta vs tors. theta energy: -36.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -230.037680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.037680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.037680 (E_RNA)
where:
Base-Base interactions energy: -92.651
where: short stacking energy: -53.947
Base-Backbone interact. energy: -0.897
local terms energy: -136.489591
where:
bonds (distance) C4'-P energy: -41.205
bonds (distance) P-C4' energy: -28.412
flat angles C4'-P-C4' energy: -36.909
flat angles P-C4'-P energy: -25.401
tors. eta vs tors. theta energy: -4.563
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: 8, replica: 4
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -264.308513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.308513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.308513 (E_RNA)
where:
Base-Base interactions energy: -131.621
where: short stacking energy: -71.819
Base-Backbone interact. energy: -1.184
local terms energy: -131.503308
where:
bonds (distance) C4'-P energy: -29.372
bonds (distance) P-C4' energy: -40.266
flat angles C4'-P-C4' energy: -29.428
flat angles P-C4'-P energy: -26.634
tors. eta vs tors. theta energy: -5.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -204.037702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.037702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.037702 (E_RNA)
where:
Base-Base interactions energy: -98.710
where: short stacking energy: -50.417
Base-Backbone interact. energy: -0.757
local terms energy: -104.570976
where:
bonds (distance) C4'-P energy: -32.819
bonds (distance) P-C4' energy: -30.508
flat angles C4'-P-C4' energy: -35.656
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: 5.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -177.128377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.128377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.128377 (E_RNA)
where:
Base-Base interactions energy: -68.363
where: short stacking energy: -60.035
Base-Backbone interact. energy: 0.283
local terms energy: -109.048308
where:
bonds (distance) C4'-P energy: -30.214
bonds (distance) P-C4' energy: -32.811
flat angles C4'-P-C4' energy: -27.129
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -8.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -650.212236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.212236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.212236 (E_RNA)
where:
Base-Base interactions energy: -436.874
where: short stacking energy: -176.371
Base-Backbone interact. energy: -0.119
local terms energy: -213.219290
where:
bonds (distance) C4'-P energy: -38.830
bonds (distance) P-C4' energy: -42.291
flat angles C4'-P-C4' energy: -42.227
flat angles P-C4'-P energy: -32.214
tors. eta vs tors. theta energy: -57.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -637.013202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.013202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.013202 (E_RNA)
where:
Base-Base interactions energy: -427.296
where: short stacking energy: -183.831
Base-Backbone interact. energy: 0.777
local terms energy: -210.494658
where:
bonds (distance) C4'-P energy: -36.060
bonds (distance) P-C4' energy: -37.192
flat angles C4'-P-C4' energy: -47.747
flat angles P-C4'-P energy: -26.183
tors. eta vs tors. theta energy: -63.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -584.253160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.253160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.253160 (E_RNA)
where:
Base-Base interactions energy: -367.799
where: short stacking energy: -184.059
Base-Backbone interact. energy: -0.329
local terms energy: -216.124875
where:
bonds (distance) C4'-P energy: -41.049
bonds (distance) P-C4' energy: -38.971
flat angles C4'-P-C4' energy: -44.478
flat angles P-C4'-P energy: -32.548
tors. eta vs tors. theta energy: -59.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -563.089764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.089764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.089764 (E_RNA)
where:
Base-Base interactions energy: -377.984
where: short stacking energy: -162.763
Base-Backbone interact. energy: -0.948
local terms energy: -184.156824
where:
bonds (distance) C4'-P energy: -31.553
bonds (distance) P-C4' energy: -42.193
flat angles C4'-P-C4' energy: -42.810
flat angles P-C4'-P energy: -20.882
tors. eta vs tors. theta energy: -46.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -550.138148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.138148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.138148 (E_RNA)
where:
Base-Base interactions energy: -374.535
where: short stacking energy: -162.149
Base-Backbone interact. energy: -1.057
local terms energy: -174.546928
where:
bonds (distance) C4'-P energy: -32.930
bonds (distance) P-C4' energy: -30.059
flat angles C4'-P-C4' energy: -37.610
flat angles P-C4'-P energy: -26.282
tors. eta vs tors. theta energy: -47.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -481.535968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.535968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.535968 (E_RNA)
where:
Base-Base interactions energy: -311.234
where: short stacking energy: -144.749
Base-Backbone interact. energy: -1.596
local terms energy: -168.705507
where:
bonds (distance) C4'-P energy: -40.553
bonds (distance) P-C4' energy: -33.290
flat angles C4'-P-C4' energy: -35.184
flat angles P-C4'-P energy: -27.400
tors. eta vs tors. theta energy: -32.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -301.002420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.002420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.002420 (E_RNA)
where:
Base-Base interactions energy: -154.835
where: short stacking energy: -99.534
Base-Backbone interact. energy: -2.037
local terms energy: -144.130897
where:
bonds (distance) C4'-P energy: -34.408
bonds (distance) P-C4' energy: -29.657
flat angles C4'-P-C4' energy: -38.361
flat angles P-C4'-P energy: -21.389
tors. eta vs tors. theta energy: -20.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -222.656552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.656552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.656552 (E_RNA)
where:
Base-Base interactions energy: -84.915
where: short stacking energy: -67.273
Base-Backbone interact. energy: -0.757
local terms energy: -136.984611
where:
bonds (distance) C4'-P energy: -39.531
bonds (distance) P-C4' energy: -43.958
flat angles C4'-P-C4' energy: -34.370
flat angles P-C4'-P energy: -20.865
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: 9, replica: 6
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -184.439202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.439202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.439202 (E_RNA)
where:
Base-Base interactions energy: -65.735
where: short stacking energy: -65.820
Base-Backbone interact. energy: -0.767
local terms energy: -117.937259
where:
bonds (distance) C4'-P energy: -25.799
bonds (distance) P-C4' energy: -39.571
flat angles C4'-P-C4' energy: -26.645
flat angles P-C4'-P energy: -16.623
tors. eta vs tors. theta energy: -9.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -179.584361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.584361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.584361 (E_RNA)
where:
Base-Base interactions energy: -72.540
where: short stacking energy: -66.543
Base-Backbone interact. energy: 1.140
local terms energy: -108.184368
where:
bonds (distance) C4'-P energy: -21.740
bonds (distance) P-C4' energy: -26.787
flat angles C4'-P-C4' energy: -28.453
flat angles P-C4'-P energy: -20.301
tors. eta vs tors. theta energy: -10.903
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: 1, replica: 3
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -659.919144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.919144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.919144 (E_RNA)
where:
Base-Base interactions energy: -447.122
where: short stacking energy: -186.726
Base-Backbone interact. energy: -0.328
local terms energy: -212.469564
where:
bonds (distance) C4'-P energy: -42.433
bonds (distance) P-C4' energy: -36.364
flat angles C4'-P-C4' energy: -45.643
flat angles P-C4'-P energy: -27.524
tors. eta vs tors. theta energy: -60.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -642.502779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.502779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.502779 (E_RNA)
where:
Base-Base interactions energy: -440.353
where: short stacking energy: -173.718
Base-Backbone interact. energy: 0.672
local terms energy: -202.822130
where:
bonds (distance) C4'-P energy: -37.106
bonds (distance) P-C4' energy: -38.107
flat angles C4'-P-C4' energy: -46.500
flat angles P-C4'-P energy: -25.255
tors. eta vs tors. theta energy: -55.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -595.377981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.377981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.377981 (E_RNA)
where:
Base-Base interactions energy: -388.932
where: short stacking energy: -197.016
Base-Backbone interact. energy: 0.794
local terms energy: -207.239729
where:
bonds (distance) C4'-P energy: -31.062
bonds (distance) P-C4' energy: -45.499
flat angles C4'-P-C4' energy: -41.637
flat angles P-C4'-P energy: -29.922
tors. eta vs tors. theta energy: -59.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -566.853240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.853240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.853240 (E_RNA)
where:
Base-Base interactions energy: -372.369
where: short stacking energy: -170.353
Base-Backbone interact. energy: -1.924
local terms energy: -192.559596
where:
bonds (distance) C4'-P energy: -29.746
bonds (distance) P-C4' energy: -41.032
flat angles C4'-P-C4' energy: -38.816
flat angles P-C4'-P energy: -28.385
tors. eta vs tors. theta energy: -54.581
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: 1
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -545.807668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.807668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.807668 (E_RNA)
where:
Base-Base interactions energy: -371.837
where: short stacking energy: -134.938
Base-Backbone interact. energy: -0.728
local terms energy: -173.242518
where:
bonds (distance) C4'-P energy: -35.309
bonds (distance) P-C4' energy: -42.506
flat angles C4'-P-C4' energy: -33.868
flat angles P-C4'-P energy: -28.343
tors. eta vs tors. theta energy: -33.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -478.063728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.063728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.063728 (E_RNA)
where:
Base-Base interactions energy: -316.316
where: short stacking energy: -136.119
Base-Backbone interact. energy: 1.122
local terms energy: -162.870373
where:
bonds (distance) C4'-P energy: -25.779
bonds (distance) P-C4' energy: -39.401
flat angles C4'-P-C4' energy: -42.311
flat angles P-C4'-P energy: -23.630
tors. eta vs tors. theta energy: -31.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -325.153881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.153881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.153881 (E_RNA)
where:
Base-Base interactions energy: -178.025
where: short stacking energy: -107.019
Base-Backbone interact. energy: 0.922
local terms energy: -148.051007
where:
bonds (distance) C4'-P energy: -35.915
bonds (distance) P-C4' energy: -29.832
flat angles C4'-P-C4' energy: -41.131
flat angles P-C4'-P energy: -19.575
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: 8, replica: 8
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -193.735052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.735052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.735052 (E_RNA)
where:
Base-Base interactions energy: -88.598
where: short stacking energy: -55.125
Base-Backbone interact. energy: -1.247
local terms energy: -103.889247
where:
bonds (distance) C4'-P energy: -25.987
bonds (distance) P-C4' energy: -32.849
flat angles C4'-P-C4' energy: -24.090
flat angles P-C4'-P energy: -25.493
tors. eta vs tors. theta energy: 4.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -192.253177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.253177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.253177 (E_RNA)
where:
Base-Base interactions energy: -82.530
where: short stacking energy: -56.481
Base-Backbone interact. energy: 0.210
local terms energy: -109.933042
where:
bonds (distance) C4'-P energy: -33.263
bonds (distance) P-C4' energy: -32.512
flat angles C4'-P-C4' energy: -26.515
flat angles P-C4'-P energy: -20.379
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: 10, replica: 10
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -165.291126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.291126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.291126 (E_RNA)
where:
Base-Base interactions energy: -65.913
where: short stacking energy: -58.752
Base-Backbone interact. energy: 0.788
local terms energy: -100.166112
where:
bonds (distance) C4'-P energy: -33.666
bonds (distance) P-C4' energy: -28.157
flat angles C4'-P-C4' energy: -26.076
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -3.266
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: 234
Temperature: 0.900000
Total energy: -649.051290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.051290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.051290 (E_RNA)
where:
Base-Base interactions energy: -444.764
where: short stacking energy: -178.380
Base-Backbone interact. energy: -0.319
local terms energy: -203.967492
where:
bonds (distance) C4'-P energy: -39.760
bonds (distance) P-C4' energy: -39.696
flat angles C4'-P-C4' energy: -42.870
flat angles P-C4'-P energy: -25.505
tors. eta vs tors. theta energy: -56.137
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: 2, replica: 9
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -638.534412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.534412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.534412 (E_RNA)
where:
Base-Base interactions energy: -421.160
where: short stacking energy: -186.490
Base-Backbone interact. energy: -0.737
local terms energy: -216.637312
where:
bonds (distance) C4'-P energy: -44.734
bonds (distance) P-C4' energy: -39.461
flat angles C4'-P-C4' energy: -41.971
flat angles P-C4'-P energy: -29.328
tors. eta vs tors. theta energy: -61.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -593.592677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.592677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.592677 (E_RNA)
where:
Base-Base interactions energy: -399.291
where: short stacking energy: -175.993
Base-Backbone interact. energy: -0.393
local terms energy: -193.908533
where:
bonds (distance) C4'-P energy: -36.513
bonds (distance) P-C4' energy: -43.546
flat angles C4'-P-C4' energy: -31.349
flat angles P-C4'-P energy: -28.460
tors. eta vs tors. theta energy: -54.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -588.712743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.712743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.712743 (E_RNA)
where:
Base-Base interactions energy: -380.196
where: short stacking energy: -189.562
Base-Backbone interact. energy: -0.011
local terms energy: -208.505856
where:
bonds (distance) C4'-P energy: -37.118
bonds (distance) P-C4' energy: -45.431
flat angles C4'-P-C4' energy: -42.161
flat angles P-C4'-P energy: -27.206
tors. eta vs tors. theta energy: -56.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -556.985806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.985806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.985806 (E_RNA)
where:
Base-Base interactions energy: -381.402
where: short stacking energy: -150.519
Base-Backbone interact. energy: -1.545
local terms energy: -174.038658
where:
bonds (distance) C4'-P energy: -34.072
bonds (distance) P-C4' energy: -33.809
flat angles C4'-P-C4' energy: -36.038
flat angles P-C4'-P energy: -30.431
tors. eta vs tors. theta energy: -39.688
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: 234
Temperature: 1.150000
Total energy: -494.708223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.708223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.708223 (E_RNA)
where:
Base-Base interactions energy: -328.257
where: short stacking energy: -155.310
Base-Backbone interact. energy: -0.349
local terms energy: -166.102024
where:
bonds (distance) C4'-P energy: -27.518
bonds (distance) P-C4' energy: -41.624
flat angles C4'-P-C4' energy: -35.876
flat angles P-C4'-P energy: -27.112
tors. eta vs tors. theta energy: -33.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -323.718497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.718497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.718497 (E_RNA)
where:
Base-Base interactions energy: -182.758
where: short stacking energy: -80.045
Base-Backbone interact. energy: -1.704
local terms energy: -139.256628
where:
bonds (distance) C4'-P energy: -36.532
bonds (distance) P-C4' energy: -31.706
flat angles C4'-P-C4' energy: -33.126
flat angles P-C4'-P energy: -23.245
tors. eta vs tors. theta energy: -14.647
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: 8
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -199.665561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.665561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.665561 (E_RNA)
where:
Base-Base interactions energy: -71.188
where: short stacking energy: -70.685
Base-Backbone interact. energy: -0.058
local terms energy: -128.419786
where:
bonds (distance) C4'-P energy: -40.942
bonds (distance) P-C4' energy: -33.047
flat angles C4'-P-C4' energy: -38.575
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -9.141
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: 10
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -172.330564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.330564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.330564 (E_RNA)
where:
Base-Base interactions energy: -51.265
where: short stacking energy: -42.429
Base-Backbone interact. energy: -0.335
local terms energy: -120.731116
where:
bonds (distance) C4'-P energy: -35.133
bonds (distance) P-C4' energy: -34.803
flat angles C4'-P-C4' energy: -31.061
flat angles P-C4'-P energy: -22.292
tors. eta vs tors. theta energy: 2.558
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: 234
Temperature: 1.350000
Total energy: -186.551821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.551821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.551821 (E_RNA)
where:
Base-Base interactions energy: -66.314
where: short stacking energy: -60.587
Base-Backbone interact. energy: -1.159
local terms energy: -119.079173
where:
bonds (distance) C4'-P energy: -31.890
bonds (distance) P-C4' energy: -28.017
flat angles C4'-P-C4' energy: -27.775
flat angles P-C4'-P energy: -21.458
tors. eta vs tors. theta energy: -9.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -635.524989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.524989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.524989 (E_RNA)
where:
Base-Base interactions energy: -429.004
where: short stacking energy: -191.091
Base-Backbone interact. energy: -1.208
local terms energy: -205.312631
where:
bonds (distance) C4'-P energy: -38.445
bonds (distance) P-C4' energy: -38.419
flat angles C4'-P-C4' energy: -39.439
flat angles P-C4'-P energy: -29.134
tors. eta vs tors. theta energy: -59.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -617.406424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.406424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.406424 (E_RNA)
where:
Base-Base interactions energy: -414.815
where: short stacking energy: -180.223
Base-Backbone interact. energy: -2.262
local terms energy: -200.329553
where:
bonds (distance) C4'-P energy: -31.561
bonds (distance) P-C4' energy: -34.082
flat angles C4'-P-C4' energy: -43.115
flat angles P-C4'-P energy: -35.743
tors. eta vs tors. theta energy: -55.830
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: 9
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -617.291901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.291901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.291901 (E_RNA)
where:
Base-Base interactions energy: -402.697
where: short stacking energy: -176.726
Base-Backbone interact. energy: -0.649
local terms energy: -213.945216
where:
bonds (distance) C4'-P energy: -36.416
bonds (distance) P-C4' energy: -47.461
flat angles C4'-P-C4' energy: -42.254
flat angles P-C4'-P energy: -31.293
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: 4, replica: 1
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -579.029864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.029864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.029864 (E_RNA)
where:
Base-Base interactions energy: -394.888
where: short stacking energy: -177.330
Base-Backbone interact. energy: -0.905
local terms energy: -183.236680
where:
bonds (distance) C4'-P energy: -32.360
bonds (distance) P-C4' energy: -41.000
flat angles C4'-P-C4' energy: -36.214
flat angles P-C4'-P energy: -27.609
tors. eta vs tors. theta energy: -46.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -565.046316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.046316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.046316 (E_RNA)
where:
Base-Base interactions energy: -378.553
where: short stacking energy: -173.983
Base-Backbone interact. energy: -0.532
local terms energy: -185.961268
where:
bonds (distance) C4'-P energy: -28.153
bonds (distance) P-C4' energy: -32.989
flat angles C4'-P-C4' energy: -43.958
flat angles P-C4'-P energy: -31.584
tors. eta vs tors. theta energy: -49.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -481.515561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.515561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.515561 (E_RNA)
where:
Base-Base interactions energy: -310.512
where: short stacking energy: -141.955
Base-Backbone interact. energy: -0.403
local terms energy: -170.600271
where:
bonds (distance) C4'-P energy: -33.276
bonds (distance) P-C4' energy: -32.492
flat angles C4'-P-C4' energy: -33.819
flat angles P-C4'-P energy: -31.444
tors. eta vs tors. theta energy: -39.570
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: 235
Temperature: 1.200000
Total energy: -303.877963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.877963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.877963 (E_RNA)
where:
Base-Base interactions energy: -164.634
where: short stacking energy: -112.733
Base-Backbone interact. energy: -0.141
local terms energy: -139.103023
where:
bonds (distance) C4'-P energy: -32.359
bonds (distance) P-C4' energy: -27.189
flat angles C4'-P-C4' energy: -35.338
flat angles P-C4'-P energy: -25.066
tors. eta vs tors. theta energy: -19.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -194.257911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.257911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.257911 (E_RNA)
where:
Base-Base interactions energy: -83.058
where: short stacking energy: -49.950
Base-Backbone interact. energy: -1.208
local terms energy: -109.991762
where:
bonds (distance) C4'-P energy: -30.451
bonds (distance) P-C4' energy: -28.974
flat angles C4'-P-C4' energy: -30.620
flat angles P-C4'-P energy: -17.716
tors. eta vs tors. theta energy: -2.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -183.596762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.596762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.596762 (E_RNA)
where:
Base-Base interactions energy: -67.657
where: short stacking energy: -46.097
Base-Backbone interact. energy: 0.056
local terms energy: -115.995914
where:
bonds (distance) C4'-P energy: -37.649
bonds (distance) P-C4' energy: -38.303
flat angles C4'-P-C4' energy: -25.322
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -2.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -158.224900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.224900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.224900 (E_RNA)
where:
Base-Base interactions energy: -52.910
where: short stacking energy: -40.813
Base-Backbone interact. energy: -1.544
local terms energy: -103.771650
where:
bonds (distance) C4'-P energy: -31.243
bonds (distance) P-C4' energy: -44.896
flat angles C4'-P-C4' energy: -24.593
flat angles P-C4'-P energy: -11.609
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: 236
Temperature: 0.900000
Total energy: -650.882830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.882830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.882830 (E_RNA)
where:
Base-Base interactions energy: -438.492
where: short stacking energy: -179.174
Base-Backbone interact. energy: -0.964
local terms energy: -211.426187
where:
bonds (distance) C4'-P energy: -39.946
bonds (distance) P-C4' energy: -37.813
flat angles C4'-P-C4' energy: -44.875
flat angles P-C4'-P energy: -27.944
tors. eta vs tors. theta energy: -60.848
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: 5
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -628.254961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.254961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.254961 (E_RNA)
where:
Base-Base interactions energy: -420.435
where: short stacking energy: -166.276
Base-Backbone interact. energy: -1.473
local terms energy: -206.347015
where:
bonds (distance) C4'-P energy: -40.826
bonds (distance) P-C4' energy: -41.775
flat angles C4'-P-C4' energy: -40.775
flat angles P-C4'-P energy: -26.016
tors. eta vs tors. theta energy: -56.956
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: 3, replica: 9
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -628.576674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.576674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.576674 (E_RNA)
where:
Base-Base interactions energy: -430.304
where: short stacking energy: -167.467
Base-Backbone interact. energy: -0.627
local terms energy: -197.644894
where:
bonds (distance) C4'-P energy: -32.349
bonds (distance) P-C4' energy: -34.525
flat angles C4'-P-C4' energy: -44.413
flat angles P-C4'-P energy: -31.140
tors. eta vs tors. theta energy: -55.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -559.643661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.643661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.643661 (E_RNA)
where:
Base-Base interactions energy: -366.301
where: short stacking energy: -147.754
Base-Backbone interact. energy: -2.266
local terms energy: -191.077455
where:
bonds (distance) C4'-P energy: -39.466
bonds (distance) P-C4' energy: -40.908
flat angles C4'-P-C4' energy: -42.633
flat angles P-C4'-P energy: -28.823
tors. eta vs tors. theta energy: -39.247
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: 7
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -573.661035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.661035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.661035 (E_RNA)
where:
Base-Base interactions energy: -365.278
where: short stacking energy: -158.673
Base-Backbone interact. energy: -1.321
local terms energy: -207.061797
where:
bonds (distance) C4'-P energy: -34.684
bonds (distance) P-C4' energy: -42.056
flat angles C4'-P-C4' energy: -46.309
flat angles P-C4'-P energy: -32.150
tors. eta vs tors. theta energy: -51.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -465.605624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.605624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.605624 (E_RNA)
where:
Base-Base interactions energy: -295.131
where: short stacking energy: -132.885
Base-Backbone interact. energy: -0.384
local terms energy: -170.090632
where:
bonds (distance) C4'-P energy: -37.466
bonds (distance) P-C4' energy: -42.622
flat angles C4'-P-C4' energy: -37.415
flat angles P-C4'-P energy: -19.773
tors. eta vs tors. theta energy: -32.814
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: 4
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -301.082641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.082641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.082641 (E_RNA)
where:
Base-Base interactions energy: -175.035
where: short stacking energy: -87.995
Base-Backbone interact. energy: 0.126
local terms energy: -126.174357
where:
bonds (distance) C4'-P energy: -32.331
bonds (distance) P-C4' energy: -38.382
flat angles C4'-P-C4' energy: -33.005
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -8.832
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: 8, replica: 10
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -190.770611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.770611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.770611 (E_RNA)
where:
Base-Base interactions energy: -70.444
where: short stacking energy: -55.265
Base-Backbone interact. energy: -0.720
local terms energy: -119.605823
where:
bonds (distance) C4'-P energy: -31.907
bonds (distance) P-C4' energy: -40.090
flat angles C4'-P-C4' energy: -30.108
flat angles P-C4'-P energy: -24.597
tors. eta vs tors. theta energy: 7.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -170.291567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.291567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.291567 (E_RNA)
where:
Base-Base interactions energy: -60.577
where: short stacking energy: -47.852
Base-Backbone interact. energy: -0.383
local terms energy: -109.330774
where:
bonds (distance) C4'-P energy: -30.149
bonds (distance) P-C4' energy: -22.607
flat angles C4'-P-C4' energy: -37.771
flat angles P-C4'-P energy: -16.489
tors. eta vs tors. theta energy: -2.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -172.577896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.577896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.577896 (E_RNA)
where:
Base-Base interactions energy: -52.220
where: short stacking energy: -41.364
Base-Backbone interact. energy: 4.136
local terms energy: -124.493318
where:
bonds (distance) C4'-P energy: -38.695
bonds (distance) P-C4' energy: -40.005
flat angles C4'-P-C4' energy: -28.920
flat angles P-C4'-P energy: -20.575
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: 3
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -649.846060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.846060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.846060 (E_RNA)
where:
Base-Base interactions energy: -436.796
where: short stacking energy: -180.191
Base-Backbone interact. energy: -2.151
local terms energy: -210.899287
where:
bonds (distance) C4'-P energy: -41.160
bonds (distance) P-C4' energy: -43.040
flat angles C4'-P-C4' energy: -40.841
flat angles P-C4'-P energy: -26.196
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: 5
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -634.067917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.067917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.067917 (E_RNA)
where:
Base-Base interactions energy: -433.940
where: short stacking energy: -184.566
Base-Backbone interact. energy: -1.106
local terms energy: -199.021778
where:
bonds (distance) C4'-P energy: -34.850
bonds (distance) P-C4' energy: -39.052
flat angles C4'-P-C4' energy: -41.483
flat angles P-C4'-P energy: -25.899
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: 9
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -613.778417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.778417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.778417 (E_RNA)
where:
Base-Base interactions energy: -403.290
where: short stacking energy: -161.893
Base-Backbone interact. energy: -0.048
local terms energy: -210.440808
where:
bonds (distance) C4'-P energy: -34.708
bonds (distance) P-C4' energy: -44.650
flat angles C4'-P-C4' energy: -42.770
flat angles P-C4'-P energy: -27.925
tors. eta vs tors. theta energy: -60.388
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: 7
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -581.467259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.467259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.467259 (E_RNA)
where:
Base-Base interactions energy: -392.096
where: short stacking energy: -177.483
Base-Backbone interact. energy: -0.259
local terms energy: -189.111581
where:
bonds (distance) C4'-P energy: -37.830
bonds (distance) P-C4' energy: -30.219
flat angles C4'-P-C4' energy: -36.329
flat angles P-C4'-P energy: -26.771
tors. eta vs tors. theta energy: -57.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -576.424413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.424413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.424413 (E_RNA)
where:
Base-Base interactions energy: -386.309
where: short stacking energy: -162.200
Base-Backbone interact. energy: -1.625
local terms energy: -188.490247
where:
bonds (distance) C4'-P energy: -40.877
bonds (distance) P-C4' energy: -34.499
flat angles C4'-P-C4' energy: -46.616
flat angles P-C4'-P energy: -22.443
tors. eta vs tors. theta energy: -44.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -456.487633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.487633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.487633 (E_RNA)
where:
Base-Base interactions energy: -298.164
where: short stacking energy: -122.584
Base-Backbone interact. energy: -0.572
local terms energy: -157.751885
where:
bonds (distance) C4'-P energy: -30.674
bonds (distance) P-C4' energy: -40.048
flat angles C4'-P-C4' energy: -32.224
flat angles P-C4'-P energy: -25.519
tors. eta vs tors. theta energy: -29.287
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: 4
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -324.788371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.788371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.788371 (E_RNA)
where:
Base-Base interactions energy: -182.375
where: short stacking energy: -96.081
Base-Backbone interact. energy: 0.537
local terms energy: -142.950605
where:
bonds (distance) C4'-P energy: -35.590
bonds (distance) P-C4' energy: -29.127
flat angles C4'-P-C4' energy: -34.930
flat angles P-C4'-P energy: -20.507
tors. eta vs tors. theta energy: -22.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -215.732326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.732326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.732326 (E_RNA)
where:
Base-Base interactions energy: -89.633
where: short stacking energy: -60.887
Base-Backbone interact. energy: -0.749
local terms energy: -125.350454
where:
bonds (distance) C4'-P energy: -33.210
bonds (distance) P-C4' energy: -34.588
flat angles C4'-P-C4' energy: -38.739
flat angles P-C4'-P energy: -18.253
tors. eta vs tors. theta energy: -0.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -201.705747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.705747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.705747 (E_RNA)
where:
Base-Base interactions energy: -70.069
where: short stacking energy: -63.157
Base-Backbone interact. energy: -0.760
local terms energy: -130.876653
where:
bonds (distance) C4'-P energy: -41.704
bonds (distance) P-C4' energy: -29.959
flat angles C4'-P-C4' energy: -40.032
flat angles P-C4'-P energy: -20.670
tors. eta vs tors. theta energy: 1.488
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: 8
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -174.900337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.900337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.900337 (E_RNA)
where:
Base-Base interactions energy: -56.889
where: short stacking energy: -56.809
Base-Backbone interact. energy: 0.047
local terms energy: -118.058364
where:
bonds (distance) C4'-P energy: -32.951
bonds (distance) P-C4' energy: -39.265
flat angles C4'-P-C4' energy: -30.028
flat angles P-C4'-P energy: -15.643
tors. eta vs tors. theta energy: -0.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -665.999945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.999945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.999945 (E_RNA)
where:
Base-Base interactions energy: -456.193
where: short stacking energy: -177.673
Base-Backbone interact. energy: 2.726
local terms energy: -212.532894
where:
bonds (distance) C4'-P energy: -40.461
bonds (distance) P-C4' energy: -43.189
flat angles C4'-P-C4' energy: -47.204
flat angles P-C4'-P energy: -25.402
tors. eta vs tors. theta energy: -56.276
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: 238
Temperature: 0.950000
Total energy: -638.770177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.770177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.770177 (E_RNA)
where:
Base-Base interactions energy: -424.246
where: short stacking energy: -181.856
Base-Backbone interact. energy: -0.616
local terms energy: -213.908241
where:
bonds (distance) C4'-P energy: -45.801
bonds (distance) P-C4' energy: -43.750
flat angles C4'-P-C4' energy: -41.576
flat angles P-C4'-P energy: -29.351
tors. eta vs tors. theta energy: -53.430
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: 3, replica: 9
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -619.743485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.743485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.743485 (E_RNA)
where:
Base-Base interactions energy: -412.200
where: short stacking energy: -168.529
Base-Backbone interact. energy: -0.172
local terms energy: -207.371260
where:
bonds (distance) C4'-P energy: -38.192
bonds (distance) P-C4' energy: -42.576
flat angles C4'-P-C4' energy: -41.893
flat angles P-C4'-P energy: -28.409
tors. eta vs tors. theta energy: -56.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -582.893789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.893789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.893789 (E_RNA)
where:
Base-Base interactions energy: -387.101
where: short stacking energy: -173.653
Base-Backbone interact. energy: -0.884
local terms energy: -194.909507
where:
bonds (distance) C4'-P energy: -43.838
bonds (distance) P-C4' energy: -36.010
flat angles C4'-P-C4' energy: -34.107
flat angles P-C4'-P energy: -27.025
tors. eta vs tors. theta energy: -53.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -549.260349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.260349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.260349 (E_RNA)
where:
Base-Base interactions energy: -371.228
where: short stacking energy: -155.294
Base-Backbone interact. energy: -0.894
local terms energy: -177.137895
where:
bonds (distance) C4'-P energy: -40.588
bonds (distance) P-C4' energy: -31.895
flat angles C4'-P-C4' energy: -40.539
flat angles P-C4'-P energy: -26.847
tors. eta vs tors. theta energy: -37.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -446.763909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.763909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.763909 (E_RNA)
where:
Base-Base interactions energy: -270.160
where: short stacking energy: -133.391
Base-Backbone interact. energy: -0.120
local terms energy: -176.483849
where:
bonds (distance) C4'-P energy: -41.610
bonds (distance) P-C4' energy: -35.437
flat angles C4'-P-C4' energy: -40.992
flat angles P-C4'-P energy: -18.403
tors. eta vs tors. theta energy: -40.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -336.294537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.294537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.294537 (E_RNA)
where:
Base-Base interactions energy: -181.454
where: short stacking energy: -90.868
Base-Backbone interact. energy: 2.358
local terms energy: -157.198749
where:
bonds (distance) C4'-P energy: -34.891
bonds (distance) P-C4' energy: -35.986
flat angles C4'-P-C4' energy: -36.683
flat angles P-C4'-P energy: -28.125
tors. eta vs tors. theta energy: -21.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -211.788829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.788829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.788829 (E_RNA)
where:
Base-Base interactions energy: -96.895
where: short stacking energy: -69.967
Base-Backbone interact. energy: -0.550
local terms energy: -114.343841
where:
bonds (distance) C4'-P energy: -35.788
bonds (distance) P-C4' energy: -27.071
flat angles C4'-P-C4' energy: -27.965
flat angles P-C4'-P energy: -17.405
tors. eta vs tors. theta energy: -6.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -172.757303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.757303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.757303 (E_RNA)
where:
Base-Base interactions energy: -62.062
where: short stacking energy: -40.425
Base-Backbone interact. energy: 1.843
local terms energy: -112.538314
where:
bonds (distance) C4'-P energy: -25.928
bonds (distance) P-C4' energy: -33.001
flat angles C4'-P-C4' energy: -32.338
flat angles P-C4'-P energy: -23.488
tors. eta vs tors. theta energy: 2.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -166.982972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.982972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.982972 (E_RNA)
where:
Base-Base interactions energy: -55.411
where: short stacking energy: -46.106
Base-Backbone interact. energy: -1.190
local terms energy: -110.382183
where:
bonds (distance) C4'-P energy: -35.389
bonds (distance) P-C4' energy: -31.860
flat angles C4'-P-C4' energy: -26.078
flat angles P-C4'-P energy: -17.002
tors. eta vs tors. theta energy: -0.053
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: 1, replica: 3
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -640.800583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.800583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.800583 (E_RNA)
where:
Base-Base interactions energy: -455.813
where: short stacking energy: -178.271
Base-Backbone interact. energy: -0.327
local terms energy: -184.660404
where:
bonds (distance) C4'-P energy: -28.904
bonds (distance) P-C4' energy: -34.350
flat angles C4'-P-C4' energy: -46.261
flat angles P-C4'-P energy: -22.493
tors. eta vs tors. theta energy: -52.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -638.812422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.812422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.812422 (E_RNA)
where:
Base-Base interactions energy: -438.610
where: short stacking energy: -185.714
Base-Backbone interact. energy: -0.494
local terms energy: -199.708146
where:
bonds (distance) C4'-P energy: -35.956
bonds (distance) P-C4' energy: -37.837
flat angles C4'-P-C4' energy: -41.648
flat angles P-C4'-P energy: -28.446
tors. eta vs tors. theta energy: -55.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -621.238532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.238532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.238532 (E_RNA)
where:
Base-Base interactions energy: -418.514
where: short stacking energy: -186.465
Base-Backbone interact. energy: -1.706
local terms energy: -201.017982
where:
bonds (distance) C4'-P energy: -26.886
bonds (distance) P-C4' energy: -38.725
flat angles C4'-P-C4' energy: -40.568
flat angles P-C4'-P energy: -36.189
tors. eta vs tors. theta energy: -58.651
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: 1
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -574.284473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.284473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.284473 (E_RNA)
where:
Base-Base interactions energy: -394.569
where: short stacking energy: -167.176
Base-Backbone interact. energy: -0.956
local terms energy: -178.759606
where:
bonds (distance) C4'-P energy: -37.592
bonds (distance) P-C4' energy: -30.251
flat angles C4'-P-C4' energy: -35.945
flat angles P-C4'-P energy: -26.092
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: 5, replica: 7
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -574.743970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.743970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.743970 (E_RNA)
where:
Base-Base interactions energy: -378.683
where: short stacking energy: -172.083
Base-Backbone interact. energy: -0.908
local terms energy: -195.153450
where:
bonds (distance) C4'-P energy: -35.442
bonds (distance) P-C4' energy: -36.058
flat angles C4'-P-C4' energy: -42.899
flat angles P-C4'-P energy: -24.218
tors. eta vs tors. theta energy: -56.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -465.600136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.600136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.600136 (E_RNA)
where:
Base-Base interactions energy: -295.002
where: short stacking energy: -134.736
Base-Backbone interact. energy: -2.269
local terms energy: -168.329554
where:
bonds (distance) C4'-P energy: -33.887
bonds (distance) P-C4' energy: -35.097
flat angles C4'-P-C4' energy: -40.670
flat angles P-C4'-P energy: -23.327
tors. eta vs tors. theta energy: -35.349
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: 4
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -321.996489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.996489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.996489 (E_RNA)
where:
Base-Base interactions energy: -182.011
where: short stacking energy: -74.611
Base-Backbone interact. energy: -0.991
local terms energy: -138.994916
where:
bonds (distance) C4'-P energy: -36.922
bonds (distance) P-C4' energy: -36.516
flat angles C4'-P-C4' energy: -39.091
flat angles P-C4'-P energy: -13.933
tors. eta vs tors. theta energy: -12.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -219.211198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.211198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.211198 (E_RNA)
where:
Base-Base interactions energy: -75.088
where: short stacking energy: -70.723
Base-Backbone interact. energy: 2.120
local terms energy: -146.243588
where:
bonds (distance) C4'-P energy: -42.268
bonds (distance) P-C4' energy: -32.504
flat angles C4'-P-C4' energy: -35.597
flat angles P-C4'-P energy: -23.893
tors. eta vs tors. theta energy: -11.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -200.005836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.005836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.005836 (E_RNA)
where:
Base-Base interactions energy: -89.160
where: short stacking energy: -56.693
Base-Backbone interact. energy: -1.200
local terms energy: -109.645940
where:
bonds (distance) C4'-P energy: -24.976
bonds (distance) P-C4' energy: -38.000
flat angles C4'-P-C4' energy: -26.019
flat angles P-C4'-P energy: -15.299
tors. eta vs tors. theta energy: -5.352
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: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -191.881530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.881530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.881530 (E_RNA)
where:
Base-Base interactions energy: -94.601
where: short stacking energy: -58.419
Base-Backbone interact. energy: -0.230
local terms energy: -97.050250
where:
bonds (distance) C4'-P energy: -25.667
bonds (distance) P-C4' energy: -27.051
flat angles C4'-P-C4' energy: -35.901
flat angles P-C4'-P energy: -12.292
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: 1, replica: 9
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -652.381312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.381312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.381312 (E_RNA)
where:
Base-Base interactions energy: -445.009
where: short stacking energy: -182.252
Base-Backbone interact. energy: -0.079
local terms energy: -207.293970
where:
bonds (distance) C4'-P energy: -39.142
bonds (distance) P-C4' energy: -41.305
flat angles C4'-P-C4' energy: -44.435
flat angles P-C4'-P energy: -24.645
tors. eta vs tors. theta energy: -57.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -645.270552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.270552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.270552 (E_RNA)
where:
Base-Base interactions energy: -449.357
where: short stacking energy: -187.432
Base-Backbone interact. energy: -0.263
local terms energy: -195.650851
where:
bonds (distance) C4'-P energy: -31.741
bonds (distance) P-C4' energy: -36.706
flat angles C4'-P-C4' energy: -37.333
flat angles P-C4'-P energy: -28.467
tors. eta vs tors. theta energy: -61.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -580.755236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.755236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.755236 (E_RNA)
where:
Base-Base interactions energy: -393.197
where: short stacking energy: -155.543
Base-Backbone interact. energy: -1.675
local terms energy: -185.883550
where:
bonds (distance) C4'-P energy: -37.000
bonds (distance) P-C4' energy: -39.750
flat angles C4'-P-C4' energy: -38.739
flat angles P-C4'-P energy: -28.528
tors. eta vs tors. theta energy: -41.866
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: 1
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -603.282568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.282568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.282568 (E_RNA)
where:
Base-Base interactions energy: -395.181
where: short stacking energy: -166.855
Base-Backbone interact. energy: -1.543
local terms energy: -206.558413
where:
bonds (distance) C4'-P energy: -44.554
bonds (distance) P-C4' energy: -39.859
flat angles C4'-P-C4' energy: -40.944
flat angles P-C4'-P energy: -30.375
tors. eta vs tors. theta energy: -50.826
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: 7
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -556.747334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.747334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.747334 (E_RNA)
where:
Base-Base interactions energy: -349.047
where: short stacking energy: -170.155
Base-Backbone interact. energy: -0.597
local terms energy: -207.102940
where:
bonds (distance) C4'-P energy: -43.892
bonds (distance) P-C4' energy: -36.975
flat angles C4'-P-C4' energy: -41.789
flat angles P-C4'-P energy: -29.419
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: 6, replica: 2
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -434.235250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.235250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.235250 (E_RNA)
where:
Base-Base interactions energy: -268.846
where: short stacking energy: -108.090
Base-Backbone interact. energy: 1.620
local terms energy: -167.009424
where:
bonds (distance) C4'-P energy: -38.081
bonds (distance) P-C4' energy: -38.745
flat angles C4'-P-C4' energy: -39.166
flat angles P-C4'-P energy: -25.086
tors. eta vs tors. theta energy: -25.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -305.553518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.553518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.553518 (E_RNA)
where:
Base-Base interactions energy: -162.150
where: short stacking energy: -84.686
Base-Backbone interact. energy: 0.986
local terms energy: -144.389570
where:
bonds (distance) C4'-P energy: -32.750
bonds (distance) P-C4' energy: -39.377
flat angles C4'-P-C4' energy: -30.272
flat angles P-C4'-P energy: -27.812
tors. eta vs tors. theta energy: -14.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -204.873210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.873210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.873210 (E_RNA)
where:
Base-Base interactions energy: -83.679
where: short stacking energy: -57.623
Base-Backbone interact. energy: 1.631
local terms energy: -122.825629
where:
bonds (distance) C4'-P energy: -31.240
bonds (distance) P-C4' energy: -31.998
flat angles C4'-P-C4' energy: -35.793
flat angles P-C4'-P energy: -18.671
tors. eta vs tors. theta energy: -5.124
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: 240
Temperature: 1.300000
Total energy: -178.392767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.392767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.392767 (E_RNA)
where:
Base-Base interactions energy: -75.669
where: short stacking energy: -49.078
Base-Backbone interact. energy: -0.699
local terms energy: -102.024753
where:
bonds (distance) C4'-P energy: -35.864
bonds (distance) P-C4' energy: -37.721
flat angles C4'-P-C4' energy: -20.696
flat angles P-C4'-P energy: -16.263
tors. eta vs tors. theta energy: 8.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -184.925960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.925960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.925960 (E_RNA)
where:
Base-Base interactions energy: -76.620
where: short stacking energy: -57.453
Base-Backbone interact. energy: 0.866
local terms energy: -109.171874
where:
bonds (distance) C4'-P energy: -27.068
bonds (distance) P-C4' energy: -40.149
flat angles C4'-P-C4' energy: -24.124
flat angles P-C4'-P energy: -20.310
tors. eta vs tors. theta energy: 2.479
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: 9
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -626.567434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.567434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.567434 (E_RNA)
where:
Base-Base interactions energy: -412.840
where: short stacking energy: -176.267
Base-Backbone interact. energy: -0.387
local terms energy: -213.340728
where:
bonds (distance) C4'-P energy: -40.046
bonds (distance) P-C4' energy: -37.906
flat angles C4'-P-C4' energy: -47.176
flat angles P-C4'-P energy: -28.859
tors. eta vs tors. theta energy: -59.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -631.904713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.904713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.904713 (E_RNA)
where:
Base-Base interactions energy: -408.647
where: short stacking energy: -194.016
Base-Backbone interact. energy: -0.027
local terms energy: -223.231593
where:
bonds (distance) C4'-P energy: -42.042
bonds (distance) P-C4' energy: -42.903
flat angles C4'-P-C4' energy: -46.388
flat angles P-C4'-P energy: -30.537
tors. eta vs tors. theta energy: -61.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -600.293564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.293564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.293564 (E_RNA)
where:
Base-Base interactions energy: -401.515
where: short stacking energy: -159.734
Base-Backbone interact. energy: -1.595
local terms energy: -197.183403
where:
bonds (distance) C4'-P energy: -38.916
bonds (distance) P-C4' energy: -38.948
flat angles C4'-P-C4' energy: -36.775
flat angles P-C4'-P energy: -31.898
tors. eta vs tors. theta energy: -50.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -591.370098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.370098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.370098 (E_RNA)
where:
Base-Base interactions energy: -407.852
where: short stacking energy: -175.690
Base-Backbone interact. energy: -0.565
local terms energy: -182.952891
where:
bonds (distance) C4'-P energy: -36.015
bonds (distance) P-C4' energy: -29.160
flat angles C4'-P-C4' energy: -42.012
flat angles P-C4'-P energy: -24.348
tors. eta vs tors. theta energy: -51.418
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: 7
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -547.819336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.819336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.819336 (E_RNA)
where:
Base-Base interactions energy: -349.063
where: short stacking energy: -167.498
Base-Backbone interact. energy: -1.413
local terms energy: -197.343664
where:
bonds (distance) C4'-P energy: -36.595
bonds (distance) P-C4' energy: -41.027
flat angles C4'-P-C4' energy: -42.451
flat angles P-C4'-P energy: -31.836
tors. eta vs tors. theta energy: -45.434
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: 2
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -425.298436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.298436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.298436 (E_RNA)
where:
Base-Base interactions energy: -268.768
where: short stacking energy: -121.045
Base-Backbone interact. energy: -1.302
local terms energy: -155.228779
where:
bonds (distance) C4'-P energy: -31.368
bonds (distance) P-C4' energy: -35.050
flat angles C4'-P-C4' energy: -33.566
flat angles P-C4'-P energy: -26.958
tors. eta vs tors. theta energy: -28.286
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: 4
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -294.764636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.764636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.764636 (E_RNA)
where:
Base-Base interactions energy: -155.423
where: short stacking energy: -83.124
Base-Backbone interact. energy: -1.503
local terms energy: -137.839022
where:
bonds (distance) C4'-P energy: -30.356
bonds (distance) P-C4' energy: -37.208
flat angles C4'-P-C4' energy: -39.684
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -19.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -210.514973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.514973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.514973 (E_RNA)
where:
Base-Base interactions energy: -85.543
where: short stacking energy: -69.411
Base-Backbone interact. energy: 0.707
local terms energy: -125.679694
where:
bonds (distance) C4'-P energy: -33.700
bonds (distance) P-C4' energy: -37.636
flat angles C4'-P-C4' energy: -28.439
flat angles P-C4'-P energy: -24.062
tors. eta vs tors. theta energy: -1.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -199.253531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.253531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.253531 (E_RNA)
where:
Base-Base interactions energy: -95.179
where: short stacking energy: -57.190
Base-Backbone interact. energy: 3.550
local terms energy: -107.624837
where:
bonds (distance) C4'-P energy: -32.560
bonds (distance) P-C4' energy: -36.264
flat angles C4'-P-C4' energy: -20.343
flat angles P-C4'-P energy: -19.253
tors. eta vs tors. theta energy: 0.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -189.227938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.227938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.227938 (E_RNA)
where:
Base-Base interactions energy: -67.945
where: short stacking energy: -55.246
Base-Backbone interact. energy: -0.217
local terms energy: -121.066329
where:
bonds (distance) C4'-P energy: -35.462
bonds (distance) P-C4' energy: -40.075
flat angles C4'-P-C4' energy: -28.720
flat angles P-C4'-P energy: -16.612
tors. eta vs tors. theta energy: -0.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -643.897193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.897193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.897193 (E_RNA)
where:
Base-Base interactions energy: -439.498
where: short stacking energy: -172.370
Base-Backbone interact. energy: -0.475
local terms energy: -203.923993
where:
bonds (distance) C4'-P energy: -28.222
bonds (distance) P-C4' energy: -41.670
flat angles C4'-P-C4' energy: -43.481
flat angles P-C4'-P energy: -30.203
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: 2, replica: 9
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -644.347820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.347820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.347820 (E_RNA)
where:
Base-Base interactions energy: -443.704
where: short stacking energy: -176.060
Base-Backbone interact. energy: 0.962
local terms energy: -201.606556
where:
bonds (distance) C4'-P energy: -38.357
bonds (distance) P-C4' energy: -33.314
flat angles C4'-P-C4' energy: -42.943
flat angles P-C4'-P energy: -31.497
tors. eta vs tors. theta energy: -55.495
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: 1
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -603.425085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.425085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.425085 (E_RNA)
where:
Base-Base interactions energy: -404.882
where: short stacking energy: -174.134
Base-Backbone interact. energy: -0.314
local terms energy: -198.228807
where:
bonds (distance) C4'-P energy: -36.392
bonds (distance) P-C4' energy: -48.357
flat angles C4'-P-C4' energy: -39.426
flat angles P-C4'-P energy: -30.836
tors. eta vs tors. theta energy: -43.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -607.955305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.955305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.955305 (E_RNA)
where:
Base-Base interactions energy: -411.194
where: short stacking energy: -175.638
Base-Backbone interact. energy: -0.396
local terms energy: -196.365015
where:
bonds (distance) C4'-P energy: -36.098
bonds (distance) P-C4' energy: -35.160
flat angles C4'-P-C4' energy: -43.593
flat angles P-C4'-P energy: -21.724
tors. eta vs tors. theta energy: -59.790
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: 7
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -562.646554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.646554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.646554 (E_RNA)
where:
Base-Base interactions energy: -365.150
where: short stacking energy: -176.204
Base-Backbone interact. energy: -0.307
local terms energy: -197.189970
where:
bonds (distance) C4'-P energy: -36.351
bonds (distance) P-C4' energy: -35.314
flat angles C4'-P-C4' energy: -42.096
flat angles P-C4'-P energy: -26.299
tors. eta vs tors. theta energy: -57.130
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: 2
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -429.389026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.389026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.389026 (E_RNA)
where:
Base-Base interactions energy: -265.679
where: short stacking energy: -131.120
Base-Backbone interact. energy: -0.300
local terms energy: -163.409889
where:
bonds (distance) C4'-P energy: -21.282
bonds (distance) P-C4' energy: -36.811
flat angles C4'-P-C4' energy: -41.466
flat angles P-C4'-P energy: -27.319
tors. eta vs tors. theta energy: -36.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -314.024443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.024443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.024443 (E_RNA)
where:
Base-Base interactions energy: -172.995
where: short stacking energy: -106.325
Base-Backbone interact. energy: 0.007
local terms energy: -141.037016
where:
bonds (distance) C4'-P energy: -31.875
bonds (distance) P-C4' energy: -33.056
flat angles C4'-P-C4' energy: -35.015
flat angles P-C4'-P energy: -24.246
tors. eta vs tors. theta energy: -16.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -198.251530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.251530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.251530 (E_RNA)
where:
Base-Base interactions energy: -72.353
where: short stacking energy: -46.873
Base-Backbone interact. energy: 0.206
local terms energy: -126.105207
where:
bonds (distance) C4'-P energy: -34.850
bonds (distance) P-C4' energy: -40.990
flat angles C4'-P-C4' energy: -27.585
flat angles P-C4'-P energy: -21.019
tors. eta vs tors. theta energy: -1.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -171.760720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.760720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.760720 (E_RNA)
where:
Base-Base interactions energy: -51.214
where: short stacking energy: -47.082
Base-Backbone interact. energy: 3.278
local terms energy: -123.824666
where:
bonds (distance) C4'-P energy: -38.797
bonds (distance) P-C4' energy: -41.123
flat angles C4'-P-C4' energy: -28.198
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: 1.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -181.482520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.482520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.482520 (E_RNA)
where:
Base-Base interactions energy: -75.773
where: short stacking energy: -53.932
Base-Backbone interact. energy: -0.025
local terms energy: -105.684455
where:
bonds (distance) C4'-P energy: -28.412
bonds (distance) P-C4' energy: -44.022
flat angles C4'-P-C4' energy: -28.486
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: 6.968
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: 3
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -632.055339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.055339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.055339 (E_RNA)
where:
Base-Base interactions energy: -411.246
where: short stacking energy: -177.021
Base-Backbone interact. energy: -0.368
local terms energy: -220.441134
where:
bonds (distance) C4'-P energy: -39.279
bonds (distance) P-C4' energy: -46.793
flat angles C4'-P-C4' energy: -49.411
flat angles P-C4'-P energy: -31.210
tors. eta vs tors. theta energy: -53.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -640.402539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.402539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.402539 (E_RNA)
where:
Base-Base interactions energy: -444.928
where: short stacking energy: -184.241
Base-Backbone interact. energy: -0.250
local terms energy: -195.225006
where:
bonds (distance) C4'-P energy: -30.652
bonds (distance) P-C4' energy: -35.338
flat angles C4'-P-C4' energy: -43.356
flat angles P-C4'-P energy: -29.274
tors. eta vs tors. theta energy: -56.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -601.920927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.920927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.920927 (E_RNA)
where:
Base-Base interactions energy: -394.913
where: short stacking energy: -189.331
Base-Backbone interact. energy: -0.811
local terms energy: -206.197674
where:
bonds (distance) C4'-P energy: -34.946
bonds (distance) P-C4' energy: -42.860
flat angles C4'-P-C4' energy: -41.195
flat angles P-C4'-P energy: -30.669
tors. eta vs tors. theta energy: -56.529
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: 243
Temperature: 1.050000
Total energy: -600.324093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.324093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.324093 (E_RNA)
where:
Base-Base interactions energy: -408.274
where: short stacking energy: -165.262
Base-Backbone interact. energy: -1.426
local terms energy: -190.623761
where:
bonds (distance) C4'-P energy: -36.225
bonds (distance) P-C4' energy: -33.801
flat angles C4'-P-C4' energy: -36.918
flat angles P-C4'-P energy: -27.708
tors. eta vs tors. theta energy: -55.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -551.110288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.110288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.110288 (E_RNA)
where:
Base-Base interactions energy: -357.872
where: short stacking energy: -163.607
Base-Backbone interact. energy: -0.190
local terms energy: -193.048570
where:
bonds (distance) C4'-P energy: -40.238
bonds (distance) P-C4' energy: -32.445
flat angles C4'-P-C4' energy: -40.424
flat angles P-C4'-P energy: -30.749
tors. eta vs tors. theta energy: -49.192
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: 4
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -363.899130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.899130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.899130 (E_RNA)
where:
Base-Base interactions energy: -207.369
where: short stacking energy: -100.440
Base-Backbone interact. energy: -0.219
local terms energy: -156.310475
where:
bonds (distance) C4'-P energy: -35.874
bonds (distance) P-C4' energy: -31.701
flat angles C4'-P-C4' energy: -41.377
flat angles P-C4'-P energy: -19.344
tors. eta vs tors. theta energy: -28.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -439.422079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.422079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.422079 (E_RNA)
where:
Base-Base interactions energy: -273.851
where: short stacking energy: -129.147
Base-Backbone interact. energy: -0.389
local terms energy: -165.182415
where:
bonds (distance) C4'-P energy: -31.106
bonds (distance) P-C4' energy: -40.990
flat angles C4'-P-C4' energy: -30.283
flat angles P-C4'-P energy: -23.028
tors. eta vs tors. theta energy: -39.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -194.647621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.647621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.647621 (E_RNA)
where:
Base-Base interactions energy: -74.561
where: short stacking energy: -60.510
Base-Backbone interact. energy: -0.171
local terms energy: -119.914721
where:
bonds (distance) C4'-P energy: -30.194
bonds (distance) P-C4' energy: -40.230
flat angles C4'-P-C4' energy: -27.923
flat angles P-C4'-P energy: -22.221
tors. eta vs tors. theta energy: 0.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -171.818651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.818651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.818651 (E_RNA)
where:
Base-Base interactions energy: -58.630
where: short stacking energy: -53.178
Base-Backbone interact. energy: 0.343
local terms energy: -113.531756
where:
bonds (distance) C4'-P energy: -34.222
bonds (distance) P-C4' energy: -36.851
flat angles C4'-P-C4' energy: -30.241
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: 1.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -160.507457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.507457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.507457 (E_RNA)
where:
Base-Base interactions energy: -47.856
where: short stacking energy: -43.695
Base-Backbone interact. energy: -0.194
local terms energy: -112.457743
where:
bonds (distance) C4'-P energy: -34.128
bonds (distance) P-C4' energy: -36.494
flat angles C4'-P-C4' energy: -24.877
flat angles P-C4'-P energy: -24.670
tors. eta vs tors. theta energy: 7.712
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: 1, replica: 9
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -669.082434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.082434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.082434 (E_RNA)
where:
Base-Base interactions energy: -456.089
where: short stacking energy: -183.412
Base-Backbone interact. energy: -0.304
local terms energy: -212.689587
where:
bonds (distance) C4'-P energy: -40.361
bonds (distance) P-C4' energy: -43.672
flat angles C4'-P-C4' energy: -40.227
flat angles P-C4'-P energy: -26.050
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: 3
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -626.627401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.627401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.627401 (E_RNA)
where:
Base-Base interactions energy: -418.700
where: short stacking energy: -182.504
Base-Backbone interact. energy: -0.233
local terms energy: -207.694565
where:
bonds (distance) C4'-P energy: -36.077
bonds (distance) P-C4' energy: -41.233
flat angles C4'-P-C4' energy: -42.115
flat angles P-C4'-P energy: -31.954
tors. eta vs tors. theta energy: -56.316
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: 5
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -616.591354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.591354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.591354 (E_RNA)
where:
Base-Base interactions energy: -408.782
where: short stacking energy: -169.446
Base-Backbone interact. energy: -0.996
local terms energy: -206.812739
where:
bonds (distance) C4'-P energy: -40.547
bonds (distance) P-C4' energy: -39.143
flat angles C4'-P-C4' energy: -37.810
flat angles P-C4'-P energy: -34.807
tors. eta vs tors. theta energy: -54.505
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: 1
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -587.832964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.832964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.832964 (E_RNA)
where:
Base-Base interactions energy: -389.983
where: short stacking energy: -153.582
Base-Backbone interact. energy: -1.486
local terms energy: -196.364402
where:
bonds (distance) C4'-P energy: -38.389
bonds (distance) P-C4' energy: -37.788
flat angles C4'-P-C4' energy: -41.076
flat angles P-C4'-P energy: -27.459
tors. eta vs tors. theta energy: -51.652
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: 7
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -543.936836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.936836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.936836 (E_RNA)
where:
Base-Base interactions energy: -349.642
where: short stacking energy: -161.392
Base-Backbone interact. energy: -0.121
local terms energy: -194.173005
where:
bonds (distance) C4'-P energy: -32.598
bonds (distance) P-C4' energy: -43.679
flat angles C4'-P-C4' energy: -38.830
flat angles P-C4'-P energy: -28.637
tors. eta vs tors. theta energy: -50.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -375.056298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.056298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.056298 (E_RNA)
where:
Base-Base interactions energy: -229.542
where: short stacking energy: -109.803
Base-Backbone interact. energy: -0.767
local terms energy: -144.747299
where:
bonds (distance) C4'-P energy: -28.559
bonds (distance) P-C4' energy: -35.663
flat angles C4'-P-C4' energy: -35.153
flat angles P-C4'-P energy: -17.969
tors. eta vs tors. theta energy: -27.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -443.038084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.038084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.038084 (E_RNA)
where:
Base-Base interactions energy: -273.115
where: short stacking energy: -125.668
Base-Backbone interact. energy: 0.082
local terms energy: -170.005363
where:
bonds (distance) C4'-P energy: -28.794
bonds (distance) P-C4' energy: -35.619
flat angles C4'-P-C4' energy: -40.171
flat angles P-C4'-P energy: -25.970
tors. eta vs tors. theta energy: -39.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -205.668137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.668137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.668137 (E_RNA)
where:
Base-Base interactions energy: -67.435
where: short stacking energy: -61.327
Base-Backbone interact. energy: -0.378
local terms energy: -137.856051
where:
bonds (distance) C4'-P energy: -34.645
bonds (distance) P-C4' energy: -37.245
flat angles C4'-P-C4' energy: -41.364
flat angles P-C4'-P energy: -14.855
tors. eta vs tors. theta energy: -9.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -203.820427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.820427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.820427 (E_RNA)
where:
Base-Base interactions energy: -69.048
where: short stacking energy: -40.215
Base-Backbone interact. energy: -1.470
local terms energy: -133.302597
where:
bonds (distance) C4'-P energy: -42.471
bonds (distance) P-C4' energy: -44.219
flat angles C4'-P-C4' energy: -20.376
flat angles P-C4'-P energy: -26.069
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: 10, replica: 8
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -173.659760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.659760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.659760 (E_RNA)
where:
Base-Base interactions energy: -59.374
where: short stacking energy: -47.026
Base-Backbone interact. energy: 1.444
local terms energy: -115.730148
where:
bonds (distance) C4'-P energy: -31.956
bonds (distance) P-C4' energy: -35.657
flat angles C4'-P-C4' energy: -31.575
flat angles P-C4'-P energy: -13.708
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: 9
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -672.809224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.809224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.809224 (E_RNA)
where:
Base-Base interactions energy: -469.246
where: short stacking energy: -193.951
Base-Backbone interact. energy: 2.176
local terms energy: -205.739101
where:
bonds (distance) C4'-P energy: -41.035
bonds (distance) P-C4' energy: -36.629
flat angles C4'-P-C4' energy: -40.970
flat angles P-C4'-P energy: -28.627
tors. eta vs tors. theta energy: -58.478
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: 2, replica: 5
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -621.217284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.217284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.217284 (E_RNA)
where:
Base-Base interactions energy: -409.095
where: short stacking energy: -172.336
Base-Backbone interact. energy: -1.005
local terms energy: -211.117391
where:
bonds (distance) C4'-P energy: -41.645
bonds (distance) P-C4' energy: -42.257
flat angles C4'-P-C4' energy: -47.580
flat angles P-C4'-P energy: -26.981
tors. eta vs tors. theta energy: -52.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -617.553616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.553616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.553616 (E_RNA)
where:
Base-Base interactions energy: -413.255
where: short stacking energy: -161.690
Base-Backbone interact. energy: -0.257
local terms energy: -204.042293
where:
bonds (distance) C4'-P energy: -41.239
bonds (distance) P-C4' energy: -37.622
flat angles C4'-P-C4' energy: -41.445
flat angles P-C4'-P energy: -34.397
tors. eta vs tors. theta energy: -49.339
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: 245
Temperature: 1.050000
Total energy: -593.055677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.055677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.055677 (E_RNA)
where:
Base-Base interactions energy: -398.054
where: short stacking energy: -164.081
Base-Backbone interact. energy: -0.486
local terms energy: -194.515311
where:
bonds (distance) C4'-P energy: -35.372
bonds (distance) P-C4' energy: -41.385
flat angles C4'-P-C4' energy: -42.705
flat angles P-C4'-P energy: -23.688
tors. eta vs tors. theta energy: -51.367
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: 7
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -553.439593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.439593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.439593 (E_RNA)
where:
Base-Base interactions energy: -371.008
where: short stacking energy: -185.674
Base-Backbone interact. energy: -0.579
local terms energy: -181.853088
where:
bonds (distance) C4'-P energy: -31.273
bonds (distance) P-C4' energy: -27.920
flat angles C4'-P-C4' energy: -39.351
flat angles P-C4'-P energy: -30.461
tors. eta vs tors. theta energy: -52.848
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: 6, replica: 2
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -461.213583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.213583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.213583 (E_RNA)
where:
Base-Base interactions energy: -298.272
where: short stacking energy: -139.296
Base-Backbone interact. energy: -0.277
local terms energy: -162.664388
where:
bonds (distance) C4'-P energy: -31.409
bonds (distance) P-C4' energy: -33.400
flat angles C4'-P-C4' energy: -39.832
flat angles P-C4'-P energy: -27.947
tors. eta vs tors. theta energy: -30.078
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: 7, replica: 4
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -288.975490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.975490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.975490 (E_RNA)
where:
Base-Base interactions energy: -157.234
where: short stacking energy: -81.052
Base-Backbone interact. energy: -1.142
local terms energy: -130.599506
where:
bonds (distance) C4'-P energy: -24.194
bonds (distance) P-C4' energy: -41.065
flat angles C4'-P-C4' energy: -34.509
flat angles P-C4'-P energy: -25.483
tors. eta vs tors. theta energy: -5.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -215.025603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.025603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.025603 (E_RNA)
where:
Base-Base interactions energy: -76.722
where: short stacking energy: -72.379
Base-Backbone interact. energy: 0.586
local terms energy: -138.889846
where:
bonds (distance) C4'-P energy: -37.386
bonds (distance) P-C4' energy: -38.847
flat angles C4'-P-C4' energy: -32.747
flat angles P-C4'-P energy: -20.682
tors. eta vs tors. theta energy: -9.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -191.986629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.986629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.986629 (E_RNA)
where:
Base-Base interactions energy: -68.326
where: short stacking energy: -56.593
Base-Backbone interact. energy: -1.403
local terms energy: -122.257119
where:
bonds (distance) C4'-P energy: -34.595
bonds (distance) P-C4' energy: -31.744
flat angles C4'-P-C4' energy: -31.032
flat angles P-C4'-P energy: -28.022
tors. eta vs tors. theta energy: 3.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -161.217817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.217817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.217817 (E_RNA)
where:
Base-Base interactions energy: -49.429
where: short stacking energy: -46.214
Base-Backbone interact. energy: 0.276
local terms energy: -112.064619
where:
bonds (distance) C4'-P energy: -31.648
bonds (distance) P-C4' energy: -30.353
flat angles C4'-P-C4' energy: -27.758
flat angles P-C4'-P energy: -22.663
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: 9
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -689.066812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.066812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.066812 (E_RNA)
where:
Base-Base interactions energy: -479.495
where: short stacking energy: -193.701
Base-Backbone interact. energy: -0.103
local terms energy: -209.469253
where:
bonds (distance) C4'-P energy: -34.357
bonds (distance) P-C4' energy: -41.077
flat angles C4'-P-C4' energy: -44.629
flat angles P-C4'-P energy: -28.955
tors. eta vs tors. theta energy: -60.452
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: 5
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -625.830540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.830540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.830540 (E_RNA)
where:
Base-Base interactions energy: -412.900
where: short stacking energy: -187.887
Base-Backbone interact. energy: -1.503
local terms energy: -211.426899
where:
bonds (distance) C4'-P energy: -36.616
bonds (distance) P-C4' energy: -40.855
flat angles C4'-P-C4' energy: -44.856
flat angles P-C4'-P energy: -32.296
tors. eta vs tors. theta energy: -56.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -618.086125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.086125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.086125 (E_RNA)
where:
Base-Base interactions energy: -415.089
where: short stacking energy: -152.742
Base-Backbone interact. energy: 0.232
local terms energy: -203.229704
where:
bonds (distance) C4'-P energy: -30.444
bonds (distance) P-C4' energy: -46.152
flat angles C4'-P-C4' energy: -40.751
flat angles P-C4'-P energy: -31.816
tors. eta vs tors. theta energy: -54.067
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: 1
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -587.284696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.284696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.284696 (E_RNA)
where:
Base-Base interactions energy: -401.733
where: short stacking energy: -173.045
Base-Backbone interact. energy: -0.981
local terms energy: -184.570592
where:
bonds (distance) C4'-P energy: -35.001
bonds (distance) P-C4' energy: -39.315
flat angles C4'-P-C4' energy: -38.909
flat angles P-C4'-P energy: -27.471
tors. eta vs tors. theta energy: -43.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -565.519554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.519554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.519554 (E_RNA)
where:
Base-Base interactions energy: -370.628
where: short stacking energy: -172.822
Base-Backbone interact. energy: -1.064
local terms energy: -193.827909
where:
bonds (distance) C4'-P energy: -24.356
bonds (distance) P-C4' energy: -45.289
flat angles C4'-P-C4' energy: -41.393
flat angles P-C4'-P energy: -25.242
tors. eta vs tors. theta energy: -57.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -482.194067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.194067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.194067 (E_RNA)
where:
Base-Base interactions energy: -303.287
where: short stacking energy: -143.522
Base-Backbone interact. energy: -0.531
local terms energy: -178.375908
where:
bonds (distance) C4'-P energy: -34.047
bonds (distance) P-C4' energy: -39.115
flat angles C4'-P-C4' energy: -39.712
flat angles P-C4'-P energy: -22.443
tors. eta vs tors. theta energy: -43.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -298.899017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.899017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.899017 (E_RNA)
where:
Base-Base interactions energy: -150.538
where: short stacking energy: -98.811
Base-Backbone interact. energy: -1.515
local terms energy: -146.845958
where:
bonds (distance) C4'-P energy: -35.225
bonds (distance) P-C4' energy: -37.512
flat angles C4'-P-C4' energy: -31.451
flat angles P-C4'-P energy: -22.065
tors. eta vs tors. theta energy: -20.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -188.955241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.955241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.955241 (E_RNA)
where:
Base-Base interactions energy: -56.240
where: short stacking energy: -44.896
Base-Backbone interact. energy: -0.307
local terms energy: -132.407944
where:
bonds (distance) C4'-P energy: -37.680
bonds (distance) P-C4' energy: -39.010
flat angles C4'-P-C4' energy: -28.979
flat angles P-C4'-P energy: -21.470
tors. eta vs tors. theta energy: -5.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -199.168158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.168158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.168158 (E_RNA)
where:
Base-Base interactions energy: -67.671
where: short stacking energy: -57.993
Base-Backbone interact. energy: -0.766
local terms energy: -130.730943
where:
bonds (distance) C4'-P energy: -29.805
bonds (distance) P-C4' energy: -34.976
flat angles C4'-P-C4' energy: -34.958
flat angles P-C4'-P energy: -23.159
tors. eta vs tors. theta energy: -7.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -167.995014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.995014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.995014 (E_RNA)
where:
Base-Base interactions energy: -46.023
where: short stacking energy: -34.462
Base-Backbone interact. energy: 0.035
local terms energy: -122.007012
where:
bonds (distance) C4'-P energy: -45.516
bonds (distance) P-C4' energy: -36.724
flat angles C4'-P-C4' energy: -30.749
flat angles P-C4'-P energy: -17.278
tors. eta vs tors. theta energy: 8.259
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: 9
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -672.849082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.849082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.849082 (E_RNA)
where:
Base-Base interactions energy: -452.056
where: short stacking energy: -200.602
Base-Backbone interact. energy: -0.121
local terms energy: -220.672126
where:
bonds (distance) C4'-P energy: -36.344
bonds (distance) P-C4' energy: -42.856
flat angles C4'-P-C4' energy: -44.335
flat angles P-C4'-P energy: -30.535
tors. eta vs tors. theta energy: -66.602
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: 3
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -629.181213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.181213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.181213 (E_RNA)
where:
Base-Base interactions energy: -419.273
where: short stacking energy: -171.244
Base-Backbone interact. energy: -0.428
local terms energy: -209.480573
where:
bonds (distance) C4'-P energy: -40.616
bonds (distance) P-C4' energy: -39.915
flat angles C4'-P-C4' energy: -43.339
flat angles P-C4'-P energy: -29.636
tors. eta vs tors. theta energy: -55.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -609.215770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.215770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.215770 (E_RNA)
where:
Base-Base interactions energy: -404.346
where: short stacking energy: -178.140
Base-Backbone interact. energy: -0.346
local terms energy: -204.524442
where:
bonds (distance) C4'-P energy: -37.840
bonds (distance) P-C4' energy: -44.432
flat angles C4'-P-C4' energy: -36.335
flat angles P-C4'-P energy: -28.174
tors. eta vs tors. theta energy: -57.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -591.412908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.412908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.412908 (E_RNA)
where:
Base-Base interactions energy: -393.242
where: short stacking energy: -180.048
Base-Backbone interact. energy: 1.152
local terms energy: -199.322561
where:
bonds (distance) C4'-P energy: -40.023
bonds (distance) P-C4' energy: -34.148
flat angles C4'-P-C4' energy: -41.168
flat angles P-C4'-P energy: -34.419
tors. eta vs tors. theta energy: -49.564
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: 1
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -571.885244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.885244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.885244 (E_RNA)
where:
Base-Base interactions energy: -373.549
where: short stacking energy: -165.766
Base-Backbone interact. energy: -0.549
local terms energy: -197.786664
where:
bonds (distance) C4'-P energy: -36.890
bonds (distance) P-C4' energy: -35.998
flat angles C4'-P-C4' energy: -45.465
flat angles P-C4'-P energy: -30.064
tors. eta vs tors. theta energy: -49.369
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: 247
Temperature: 1.150000
Total energy: -458.622433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.622433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.622433 (E_RNA)
where:
Base-Base interactions energy: -279.853
where: short stacking energy: -137.796
Base-Backbone interact. energy: 0.550
local terms energy: -179.319102
where:
bonds (distance) C4'-P energy: -31.651
bonds (distance) P-C4' energy: -41.798
flat angles C4'-P-C4' energy: -41.908
flat angles P-C4'-P energy: -25.458
tors. eta vs tors. theta energy: -38.504
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: 4
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -276.396718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.396718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.396718 (E_RNA)
where:
Base-Base interactions energy: -139.595
where: short stacking energy: -67.589
Base-Backbone interact. energy: 0.093
local terms energy: -136.894577
where:
bonds (distance) C4'-P energy: -31.960
bonds (distance) P-C4' energy: -33.545
flat angles C4'-P-C4' energy: -39.655
flat angles P-C4'-P energy: -25.322
tors. eta vs tors. theta energy: -6.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -195.043104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.043104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.043104 (E_RNA)
where:
Base-Base interactions energy: -77.740
where: short stacking energy: -68.621
Base-Backbone interact. energy: -0.450
local terms energy: -116.853237
where:
bonds (distance) C4'-P energy: -29.785
bonds (distance) P-C4' energy: -32.233
flat angles C4'-P-C4' energy: -35.996
flat angles P-C4'-P energy: -19.525
tors. eta vs tors. theta energy: 0.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -194.199234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.199234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.199234 (E_RNA)
where:
Base-Base interactions energy: -77.358
where: short stacking energy: -58.946
Base-Backbone interact. energy: -0.219
local terms energy: -116.622350
where:
bonds (distance) C4'-P energy: -32.337
bonds (distance) P-C4' energy: -41.186
flat angles C4'-P-C4' energy: -24.319
flat angles P-C4'-P energy: -17.106
tors. eta vs tors. theta energy: -1.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -172.757927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.757927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.757927 (E_RNA)
where:
Base-Base interactions energy: -61.668
where: short stacking energy: -54.848
Base-Backbone interact. energy: -1.050
local terms energy: -110.040275
where:
bonds (distance) C4'-P energy: -41.538
bonds (distance) P-C4' energy: -32.149
flat angles C4'-P-C4' energy: -20.671
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -3.611
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: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -672.373321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.373321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.373321 (E_RNA)
where:
Base-Base interactions energy: -458.608
where: short stacking energy: -192.891
Base-Backbone interact. energy: 0.317
local terms energy: -214.081725
where:
bonds (distance) C4'-P energy: -44.145
bonds (distance) P-C4' energy: -39.962
flat angles C4'-P-C4' energy: -41.702
flat angles P-C4'-P energy: -24.517
tors. eta vs tors. theta energy: -63.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -625.542878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.542878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.542878 (E_RNA)
where:
Base-Base interactions energy: -428.953
where: short stacking energy: -177.280
Base-Backbone interact. energy: -0.133
local terms energy: -196.456646
where:
bonds (distance) C4'-P energy: -35.229
bonds (distance) P-C4' energy: -35.310
flat angles C4'-P-C4' energy: -42.810
flat angles P-C4'-P energy: -26.069
tors. eta vs tors. theta energy: -57.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -615.854462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.854462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.854462 (E_RNA)
where:
Base-Base interactions energy: -403.388
where: short stacking energy: -187.931
Base-Backbone interact. energy: -0.897
local terms energy: -211.568873
where:
bonds (distance) C4'-P energy: -39.376
bonds (distance) P-C4' energy: -38.926
flat angles C4'-P-C4' energy: -44.807
flat angles P-C4'-P energy: -25.148
tors. eta vs tors. theta energy: -63.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -582.131299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.131299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.131299 (E_RNA)
where:
Base-Base interactions energy: -387.195
where: short stacking energy: -174.955
Base-Backbone interact. energy: -1.665
local terms energy: -193.271627
where:
bonds (distance) C4'-P energy: -33.892
bonds (distance) P-C4' energy: -33.873
flat angles C4'-P-C4' energy: -40.272
flat angles P-C4'-P energy: -30.727
tors. eta vs tors. theta energy: -54.508
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: 1
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -575.252285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.252285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.252285 (E_RNA)
where:
Base-Base interactions energy: -384.327
where: short stacking energy: -158.891
Base-Backbone interact. energy: -0.835
local terms energy: -190.089697
where:
bonds (distance) C4'-P energy: -32.373
bonds (distance) P-C4' energy: -41.864
flat angles C4'-P-C4' energy: -41.851
flat angles P-C4'-P energy: -29.644
tors. eta vs tors. theta energy: -44.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -459.713423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.713423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.713423 (E_RNA)
where:
Base-Base interactions energy: -288.036
where: short stacking energy: -145.010
Base-Backbone interact. energy: -0.460
local terms energy: -171.217319
where:
bonds (distance) C4'-P energy: -31.282
bonds (distance) P-C4' energy: -38.908
flat angles C4'-P-C4' energy: -40.179
flat angles P-C4'-P energy: -24.505
tors. eta vs tors. theta energy: -36.343
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: 4
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -331.649661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.649661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.649661 (E_RNA)
where:
Base-Base interactions energy: -177.233
where: short stacking energy: -85.253
Base-Backbone interact. energy: 3.432
local terms energy: -157.849176
where:
bonds (distance) C4'-P energy: -37.400
bonds (distance) P-C4' energy: -36.991
flat angles C4'-P-C4' energy: -40.193
flat angles P-C4'-P energy: -24.401
tors. eta vs tors. theta energy: -18.865
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: 10
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -194.116744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.116744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.116744 (E_RNA)
where:
Base-Base interactions energy: -77.728
where: short stacking energy: -51.711
Base-Backbone interact. energy: -0.710
local terms energy: -115.679046
where:
bonds (distance) C4'-P energy: -30.785
bonds (distance) P-C4' energy: -32.587
flat angles C4'-P-C4' energy: -25.666
flat angles P-C4'-P energy: -30.958
tors. eta vs tors. theta energy: 4.317
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: 9, replica: 8
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -185.189328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.189328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.189328 (E_RNA)
where:
Base-Base interactions energy: -79.661
where: short stacking energy: -48.369
Base-Backbone interact. energy: -0.812
local terms energy: -104.716547
where:
bonds (distance) C4'-P energy: -31.680
bonds (distance) P-C4' energy: -26.223
flat angles C4'-P-C4' energy: -33.616
flat angles P-C4'-P energy: -18.941
tors. eta vs tors. theta energy: 5.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -167.984115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.984115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.984115 (E_RNA)
where:
Base-Base interactions energy: -61.034
where: short stacking energy: -45.880
Base-Backbone interact. energy: -0.489
local terms energy: -106.461229
where:
bonds (distance) C4'-P energy: -38.343
bonds (distance) P-C4' energy: -33.282
flat angles C4'-P-C4' energy: -18.976
flat angles P-C4'-P energy: -16.235
tors. eta vs tors. theta energy: 0.375
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: 9
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -679.397075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.397075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.397075 (E_RNA)
where:
Base-Base interactions energy: -464.681
where: short stacking energy: -194.028
Base-Backbone interact. energy: 3.430
local terms energy: -218.146625
where:
bonds (distance) C4'-P energy: -39.472
bonds (distance) P-C4' energy: -40.130
flat angles C4'-P-C4' energy: -46.076
flat angles P-C4'-P energy: -28.030
tors. eta vs tors. theta energy: -64.440
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: 249
Temperature: 0.950000
Total energy: -628.877425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.877425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.877425 (E_RNA)
where:
Base-Base interactions energy: -417.830
where: short stacking energy: -166.917
Base-Backbone interact. energy: -0.227
local terms energy: -210.820582
where:
bonds (distance) C4'-P energy: -45.427
bonds (distance) P-C4' energy: -39.815
flat angles C4'-P-C4' energy: -40.188
flat angles P-C4'-P energy: -29.941
tors. eta vs tors. theta energy: -55.450
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: 249
Temperature: 1.000000
Total energy: -610.350741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.350741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.350741 (E_RNA)
where:
Base-Base interactions energy: -394.031
where: short stacking energy: -181.329
Base-Backbone interact. energy: -0.305
local terms energy: -216.014894
where:
bonds (distance) C4'-P energy: -41.689
bonds (distance) P-C4' energy: -40.362
flat angles C4'-P-C4' energy: -44.483
flat angles P-C4'-P energy: -28.381
tors. eta vs tors. theta energy: -61.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -611.566054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.566054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.566054 (E_RNA)
where:
Base-Base interactions energy: -419.760
where: short stacking energy: -168.705
Base-Backbone interact. energy: -1.929
local terms energy: -189.877196
where:
bonds (distance) C4'-P energy: -34.159
bonds (distance) P-C4' energy: -36.117
flat angles C4'-P-C4' energy: -46.516
flat angles P-C4'-P energy: -26.932
tors. eta vs tors. theta energy: -46.153
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: 5, replica: 5
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -552.061960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.061960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.061960 (E_RNA)
where:
Base-Base interactions energy: -353.893
where: short stacking energy: -168.130
Base-Backbone interact. energy: 0.520
local terms energy: -198.689648
where:
bonds (distance) C4'-P energy: -37.674
bonds (distance) P-C4' energy: -35.531
flat angles C4'-P-C4' energy: -41.953
flat angles P-C4'-P energy: -30.099
tors. eta vs tors. theta energy: -53.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -441.327824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.327824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.327824 (E_RNA)
where:
Base-Base interactions energy: -269.609
where: short stacking energy: -123.619
Base-Backbone interact. energy: -1.041
local terms energy: -170.676930
where:
bonds (distance) C4'-P energy: -34.830
bonds (distance) P-C4' energy: -35.038
flat angles C4'-P-C4' energy: -36.481
flat angles P-C4'-P energy: -32.633
tors. eta vs tors. theta energy: -31.696
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: 4
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -318.027208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.027208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.027208 (E_RNA)
where:
Base-Base interactions energy: -166.507
where: short stacking energy: -82.963
Base-Backbone interact. energy: -1.341
local terms energy: -150.179806
where:
bonds (distance) C4'-P energy: -36.164
bonds (distance) P-C4' energy: -43.561
flat angles C4'-P-C4' energy: -35.965
flat angles P-C4'-P energy: -20.483
tors. eta vs tors. theta energy: -14.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -197.529227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.529227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.529227 (E_RNA)
where:
Base-Base interactions energy: -68.373
where: short stacking energy: -64.723
Base-Backbone interact. energy: -0.653
local terms energy: -128.503348
where:
bonds (distance) C4'-P energy: -39.633
bonds (distance) P-C4' energy: -34.622
flat angles C4'-P-C4' energy: -31.163
flat angles P-C4'-P energy: -17.661
tors. eta vs tors. theta energy: -5.424
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: 10
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -201.929767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.929767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.929767 (E_RNA)
where:
Base-Base interactions energy: -70.381
where: short stacking energy: -69.638
Base-Backbone interact. energy: -0.568
local terms energy: -130.979980
where:
bonds (distance) C4'-P energy: -33.618
bonds (distance) P-C4' energy: -35.737
flat angles C4'-P-C4' energy: -31.900
flat angles P-C4'-P energy: -20.251
tors. eta vs tors. theta energy: -9.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -205.115431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.115431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.115431 (E_RNA)
where:
Base-Base interactions energy: -91.408
where: short stacking energy: -66.488
Base-Backbone interact. energy: -0.817
local terms energy: -112.890152
where:
bonds (distance) C4'-P energy: -35.391
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -25.219
flat angles P-C4'-P energy: -22.626
tors. eta vs tors. theta energy: -9.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -688.017332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.017332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.017332 (E_RNA)
where:
Base-Base interactions energy: -480.499
where: short stacking energy: -190.919
Base-Backbone interact. energy: -0.542
local terms energy: -206.976033
where:
bonds (distance) C4'-P energy: -36.120
bonds (distance) P-C4' energy: -39.504
flat angles C4'-P-C4' energy: -41.549
flat angles P-C4'-P energy: -26.717
tors. eta vs tors. theta energy: -63.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -613.061371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.061371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.061371 (E_RNA)
where:
Base-Base interactions energy: -404.977
where: short stacking energy: -178.025
Base-Backbone interact. energy: -0.175
local terms energy: -207.908933
where:
bonds (distance) C4'-P energy: -45.183
bonds (distance) P-C4' energy: -36.104
flat angles C4'-P-C4' energy: -38.345
flat angles P-C4'-P energy: -29.027
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: 7
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -633.578878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.578878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.578878 (E_RNA)
where:
Base-Base interactions energy: -415.207
where: short stacking energy: -197.564
Base-Backbone interact. energy: -0.560
local terms energy: -217.811788
where:
bonds (distance) C4'-P energy: -39.219
bonds (distance) P-C4' energy: -33.732
flat angles C4'-P-C4' energy: -45.075
flat angles P-C4'-P energy: -31.761
tors. eta vs tors. theta energy: -68.026
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: 1
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -585.903922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.903922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.903922 (E_RNA)
where:
Base-Base interactions energy: -398.868
where: short stacking energy: -162.121
Base-Backbone interact. energy: 1.337
local terms energy: -188.372655
where:
bonds (distance) C4'-P energy: -37.952
bonds (distance) P-C4' energy: -33.015
flat angles C4'-P-C4' energy: -41.710
flat angles P-C4'-P energy: -29.998
tors. eta vs tors. theta energy: -45.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -547.323870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.323870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.323870 (E_RNA)
where:
Base-Base interactions energy: -359.265
where: short stacking energy: -152.733
Base-Backbone interact. energy: -0.806
local terms energy: -187.253772
where:
bonds (distance) C4'-P energy: -38.049
bonds (distance) P-C4' energy: -39.919
flat angles C4'-P-C4' energy: -42.057
flat angles P-C4'-P energy: -25.482
tors. eta vs tors. theta energy: -41.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -453.010208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.010208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.010208 (E_RNA)
where:
Base-Base interactions energy: -299.418
where: short stacking energy: -135.227
Base-Backbone interact. energy: -0.702
local terms energy: -152.890989
where:
bonds (distance) C4'-P energy: -29.942
bonds (distance) P-C4' energy: -34.955
flat angles C4'-P-C4' energy: -36.588
flat angles P-C4'-P energy: -19.820
tors. eta vs tors. theta energy: -31.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -317.560291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.560291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.560291 (E_RNA)
where:
Base-Base interactions energy: -181.306
where: short stacking energy: -92.375
Base-Backbone interact. energy: 1.818
local terms energy: -138.072994
where:
bonds (distance) C4'-P energy: -36.200
bonds (distance) P-C4' energy: -30.534
flat angles C4'-P-C4' energy: -31.895
flat angles P-C4'-P energy: -22.309
tors. eta vs tors. theta energy: -17.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -188.194340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.194340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.194340 (E_RNA)
where:
Base-Base interactions energy: -75.896
where: short stacking energy: -56.617
Base-Backbone interact. energy: 2.542
local terms energy: -114.839920
where:
bonds (distance) C4'-P energy: -26.063
bonds (distance) P-C4' energy: -39.244
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -22.469
tors. eta vs tors. theta energy: -8.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -191.130486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.130486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.130486 (E_RNA)
where:
Base-Base interactions energy: -61.300
where: short stacking energy: -53.757
Base-Backbone interact. energy: -0.639
local terms energy: -129.191105
where:
bonds (distance) C4'-P energy: -37.003
bonds (distance) P-C4' energy: -42.680
flat angles C4'-P-C4' energy: -32.172
flat angles P-C4'-P energy: -16.580
tors. eta vs tors. theta energy: -0.756
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: 10, replica: 10
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -188.556821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.556821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.556821 (E_RNA)
where:
Base-Base interactions energy: -69.018
where: short stacking energy: -52.495
Base-Backbone interact. energy: -0.011
local terms energy: -119.527656
where:
bonds (distance) C4'-P energy: -35.133
bonds (distance) P-C4' energy: -40.397
flat angles C4'-P-C4' energy: -26.881
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: -2.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -671.538414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.538414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.538414 (E_RNA)
where:
Base-Base interactions energy: -451.844
where: short stacking energy: -192.183
Base-Backbone interact. energy: -0.442
local terms energy: -219.252049
where:
bonds (distance) C4'-P energy: -46.066
bonds (distance) P-C4' energy: -40.449
flat angles C4'-P-C4' energy: -42.352
flat angles P-C4'-P energy: -28.380
tors. eta vs tors. theta energy: -62.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -623.242891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.242891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.242891 (E_RNA)
where:
Base-Base interactions energy: -419.535
where: short stacking energy: -196.306
Base-Backbone interact. energy: -0.643
local terms energy: -203.064195
where:
bonds (distance) C4'-P energy: -34.418
bonds (distance) P-C4' energy: -38.701
flat angles C4'-P-C4' energy: -38.826
flat angles P-C4'-P energy: -30.141
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: 3, replica: 7
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -605.695534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.695534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.695534 (E_RNA)
where:
Base-Base interactions energy: -399.409
where: short stacking energy: -184.877
Base-Backbone interact. energy: -1.316
local terms energy: -204.970888
where:
bonds (distance) C4'-P energy: -37.450
bonds (distance) P-C4' energy: -26.280
flat angles C4'-P-C4' energy: -49.195
flat angles P-C4'-P energy: -34.727
tors. eta vs tors. theta energy: -57.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -591.154706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.154706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.154706 (E_RNA)
where:
Base-Base interactions energy: -397.007
where: short stacking energy: -169.486
Base-Backbone interact. energy: -1.236
local terms energy: -192.911070
where:
bonds (distance) C4'-P energy: -40.997
bonds (distance) P-C4' energy: -37.418
flat angles C4'-P-C4' energy: -32.053
flat angles P-C4'-P energy: -26.735
tors. eta vs tors. theta energy: -55.707
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: 5
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -534.296619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.296619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.296619 (E_RNA)
where:
Base-Base interactions energy: -352.634
where: short stacking energy: -146.633
Base-Backbone interact. energy: -1.053
local terms energy: -180.609701
where:
bonds (distance) C4'-P energy: -29.139
bonds (distance) P-C4' energy: -39.598
flat angles C4'-P-C4' energy: -37.916
flat angles P-C4'-P energy: -29.159
tors. eta vs tors. theta energy: -44.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -467.381127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.381127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.381127 (E_RNA)
where:
Base-Base interactions energy: -287.353
where: short stacking energy: -142.096
Base-Backbone interact. energy: -0.199
local terms energy: -179.829193
where:
bonds (distance) C4'-P energy: -44.806
bonds (distance) P-C4' energy: -35.500
flat angles C4'-P-C4' energy: -40.010
flat angles P-C4'-P energy: -24.569
tors. eta vs tors. theta energy: -34.944
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: 4
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -292.987319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.987319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.987319 (E_RNA)
where:
Base-Base interactions energy: -162.030
where: short stacking energy: -75.150
Base-Backbone interact. energy: -0.164
local terms energy: -130.793590
where:
bonds (distance) C4'-P energy: -27.135
bonds (distance) P-C4' energy: -28.891
flat angles C4'-P-C4' energy: -34.226
flat angles P-C4'-P energy: -21.149
tors. eta vs tors. theta energy: -19.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -202.047105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.047105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.047105 (E_RNA)
where:
Base-Base interactions energy: -72.711
where: short stacking energy: -56.134
Base-Backbone interact. energy: 4.242
local terms energy: -133.577765
where:
bonds (distance) C4'-P energy: -41.238
bonds (distance) P-C4' energy: -38.767
flat angles C4'-P-C4' energy: -28.619
flat angles P-C4'-P energy: -23.590
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: 251
Temperature: 1.300000
Total energy: -196.030350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.030350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.030350 (E_RNA)
where:
Base-Base interactions energy: -74.336
where: short stacking energy: -59.260
Base-Backbone interact. energy: 2.592
local terms energy: -124.286437
where:
bonds (distance) C4'-P energy: -37.967
bonds (distance) P-C4' energy: -26.919
flat angles C4'-P-C4' energy: -36.230
flat angles P-C4'-P energy: -19.445
tors. eta vs tors. theta energy: -3.725
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: 10
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -167.047656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.047656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.047656 (E_RNA)
where:
Base-Base interactions energy: -52.233
where: short stacking energy: -43.060
Base-Backbone interact. energy: 1.412
local terms energy: -116.226766
where:
bonds (distance) C4'-P energy: -30.279
bonds (distance) P-C4' energy: -36.702
flat angles C4'-P-C4' energy: -39.254
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: 5.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -678.591824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.591824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.591824 (E_RNA)
where:
Base-Base interactions energy: -465.204
where: short stacking energy: -196.337
Base-Backbone interact. energy: 0.777
local terms energy: -214.164126
where:
bonds (distance) C4'-P energy: -42.805
bonds (distance) P-C4' energy: -41.757
flat angles C4'-P-C4' energy: -43.261
flat angles P-C4'-P energy: -26.423
tors. eta vs tors. theta energy: -59.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -628.390785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.390785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.390785 (E_RNA)
where:
Base-Base interactions energy: -427.829
where: short stacking energy: -177.058
Base-Backbone interact. energy: -0.464
local terms energy: -200.097951
where:
bonds (distance) C4'-P energy: -37.827
bonds (distance) P-C4' energy: -40.269
flat angles C4'-P-C4' energy: -39.958
flat angles P-C4'-P energy: -25.574
tors. eta vs tors. theta energy: -56.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -632.714070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.714070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.714070 (E_RNA)
where:
Base-Base interactions energy: -421.848
where: short stacking energy: -188.928
Base-Backbone interact. energy: -1.482
local terms energy: -209.383460
where:
bonds (distance) C4'-P energy: -41.994
bonds (distance) P-C4' energy: -41.472
flat angles C4'-P-C4' energy: -38.956
flat angles P-C4'-P energy: -32.749
tors. eta vs tors. theta energy: -54.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -588.050776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.050776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.050776 (E_RNA)
where:
Base-Base interactions energy: -383.719
where: short stacking energy: -190.325
Base-Backbone interact. energy: -0.916
local terms energy: -203.415614
where:
bonds (distance) C4'-P energy: -33.557
bonds (distance) P-C4' energy: -31.759
flat angles C4'-P-C4' energy: -46.335
flat angles P-C4'-P energy: -30.537
tors. eta vs tors. theta energy: -61.228
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: 252
Temperature: 1.100000
Total energy: -537.257040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.257040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.257040 (E_RNA)
where:
Base-Base interactions energy: -355.139
where: short stacking energy: -156.052
Base-Backbone interact. energy: -0.622
local terms energy: -181.496425
where:
bonds (distance) C4'-P energy: -34.772
bonds (distance) P-C4' energy: -39.744
flat angles C4'-P-C4' energy: -38.710
flat angles P-C4'-P energy: -25.057
tors. eta vs tors. theta energy: -43.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -468.925852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.925852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.925852 (E_RNA)
where:
Base-Base interactions energy: -290.326
where: short stacking energy: -150.190
Base-Backbone interact. energy: -2.083
local terms energy: -176.517401
where:
bonds (distance) C4'-P energy: -39.061
bonds (distance) P-C4' energy: -35.511
flat angles C4'-P-C4' energy: -42.373
flat angles P-C4'-P energy: -18.682
tors. eta vs tors. theta energy: -40.891
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: 4
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -292.912623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.912623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.912623 (E_RNA)
where:
Base-Base interactions energy: -145.369
where: short stacking energy: -75.623
Base-Backbone interact. energy: 0.167
local terms energy: -147.711038
where:
bonds (distance) C4'-P energy: -37.500
bonds (distance) P-C4' energy: -34.576
flat angles C4'-P-C4' energy: -35.126
flat angles P-C4'-P energy: -23.764
tors. eta vs tors. theta energy: -16.746
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: 8, replica: 8
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -180.971612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.971612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.971612 (E_RNA)
where:
Base-Base interactions energy: -60.549
where: short stacking energy: -48.784
Base-Backbone interact. energy: -1.775
local terms energy: -118.647643
where:
bonds (distance) C4'-P energy: -35.115
bonds (distance) P-C4' energy: -38.526
flat angles C4'-P-C4' energy: -30.076
flat angles P-C4'-P energy: -20.796
tors. eta vs tors. theta energy: 5.866
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: 10
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -184.002228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.002228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.002228 (E_RNA)
where:
Base-Base interactions energy: -56.493
where: short stacking energy: -49.252
Base-Backbone interact. energy: 1.039
local terms energy: -128.548420
where:
bonds (distance) C4'-P energy: -37.962
bonds (distance) P-C4' energy: -33.486
flat angles C4'-P-C4' energy: -36.932
flat angles P-C4'-P energy: -22.828
tors. eta vs tors. theta energy: 2.659
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: 6
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -187.057794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.057794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.057794 (E_RNA)
where:
Base-Base interactions energy: -66.318
where: short stacking energy: -49.590
Base-Backbone interact. energy: -0.745
local terms energy: -119.993993
where:
bonds (distance) C4'-P energy: -31.874
bonds (distance) P-C4' energy: -34.730
flat angles C4'-P-C4' energy: -29.317
flat angles P-C4'-P energy: -25.902
tors. eta vs tors. theta energy: 1.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -672.022497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.022497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.022497 (E_RNA)
where:
Base-Base interactions energy: -465.138
where: short stacking energy: -205.718
Base-Backbone interact. energy: 0.841
local terms energy: -207.724712
where:
bonds (distance) C4'-P energy: -39.954
bonds (distance) P-C4' energy: -37.860
flat angles C4'-P-C4' energy: -45.828
flat angles P-C4'-P energy: -23.710
tors. eta vs tors. theta energy: -60.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -625.318612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.318612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.318612 (E_RNA)
where:
Base-Base interactions energy: -417.411
where: short stacking energy: -177.684
Base-Backbone interact. energy: 0.901
local terms energy: -208.807965
where:
bonds (distance) C4'-P energy: -33.912
bonds (distance) P-C4' energy: -40.676
flat angles C4'-P-C4' energy: -43.353
flat angles P-C4'-P energy: -31.756
tors. eta vs tors. theta energy: -59.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -596.955045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.955045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.955045 (E_RNA)
where:
Base-Base interactions energy: -400.115
where: short stacking energy: -174.189
Base-Backbone interact. energy: 1.124
local terms energy: -197.963278
where:
bonds (distance) C4'-P energy: -41.513
bonds (distance) P-C4' energy: -39.425
flat angles C4'-P-C4' energy: -36.482
flat angles P-C4'-P energy: -32.058
tors. eta vs tors. theta energy: -48.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -578.937227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.937227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.937227 (E_RNA)
where:
Base-Base interactions energy: -387.528
where: short stacking energy: -192.414
Base-Backbone interact. energy: 0.030
local terms energy: -191.439048
where:
bonds (distance) C4'-P energy: -33.019
bonds (distance) P-C4' energy: -33.467
flat angles C4'-P-C4' energy: -41.566
flat angles P-C4'-P energy: -26.364
tors. eta vs tors. theta energy: -57.022
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: 253
Temperature: 1.100000
Total energy: -505.521156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.521156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.521156 (E_RNA)
where:
Base-Base interactions energy: -351.546
where: short stacking energy: -148.712
Base-Backbone interact. energy: -3.928
local terms energy: -150.047955
where:
bonds (distance) C4'-P energy: -32.573
bonds (distance) P-C4' energy: -30.600
flat angles C4'-P-C4' energy: -31.484
flat angles P-C4'-P energy: -15.604
tors. eta vs tors. theta energy: -39.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -457.787494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.787494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.787494 (E_RNA)
where:
Base-Base interactions energy: -287.550
where: short stacking energy: -140.337
Base-Backbone interact. energy: 0.599
local terms energy: -170.836168
where:
bonds (distance) C4'-P energy: -40.866
bonds (distance) P-C4' energy: -37.057
flat angles C4'-P-C4' energy: -31.769
flat angles P-C4'-P energy: -28.271
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: 4
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -311.209938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.209938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.209938 (E_RNA)
where:
Base-Base interactions energy: -167.834
where: short stacking energy: -86.714
Base-Backbone interact. energy: -1.417
local terms energy: -141.958386
where:
bonds (distance) C4'-P energy: -34.289
bonds (distance) P-C4' energy: -37.784
flat angles C4'-P-C4' energy: -39.653
flat angles P-C4'-P energy: -19.206
tors. eta vs tors. theta energy: -11.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -203.368548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.368548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.368548 (E_RNA)
where:
Base-Base interactions energy: -79.121
where: short stacking energy: -61.041
Base-Backbone interact. energy: 3.873
local terms energy: -128.120577
where:
bonds (distance) C4'-P energy: -38.724
bonds (distance) P-C4' energy: -37.877
flat angles C4'-P-C4' energy: -32.346
flat angles P-C4'-P energy: -17.605
tors. eta vs tors. theta energy: -1.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -189.647343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.647343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.647343 (E_RNA)
where:
Base-Base interactions energy: -79.533
where: short stacking energy: -45.831
Base-Backbone interact. energy: -0.929
local terms energy: -109.185574
where:
bonds (distance) C4'-P energy: -27.466
bonds (distance) P-C4' energy: -38.587
flat angles C4'-P-C4' energy: -33.502
flat angles P-C4'-P energy: -20.538
tors. eta vs tors. theta energy: 10.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -208.628098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.628098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.628098 (E_RNA)
where:
Base-Base interactions energy: -94.054
where: short stacking energy: -57.042
Base-Backbone interact. energy: -0.967
local terms energy: -113.607358
where:
bonds (distance) C4'-P energy: -36.780
bonds (distance) P-C4' energy: -28.846
flat angles C4'-P-C4' energy: -33.706
flat angles P-C4'-P energy: -17.066
tors. eta vs tors. theta energy: 2.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -679.859099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.859099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.859099 (E_RNA)
where:
Base-Base interactions energy: -466.884
where: short stacking energy: -190.402
Base-Backbone interact. energy: -1.263
local terms energy: -211.712337
where:
bonds (distance) C4'-P energy: -39.927
bonds (distance) P-C4' energy: -40.115
flat angles C4'-P-C4' energy: -43.092
flat angles P-C4'-P energy: -29.570
tors. eta vs tors. theta energy: -59.009
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: 3
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -624.946825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.946825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.946825 (E_RNA)
where:
Base-Base interactions energy: -429.802
where: short stacking energy: -176.774
Base-Backbone interact. energy: -0.365
local terms energy: -194.780455
where:
bonds (distance) C4'-P energy: -38.333
bonds (distance) P-C4' energy: -38.256
flat angles C4'-P-C4' energy: -40.341
flat angles P-C4'-P energy: -24.469
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: 3, replica: 1
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -614.646820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.646820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.646820 (E_RNA)
where:
Base-Base interactions energy: -412.503
where: short stacking energy: -182.784
Base-Backbone interact. energy: -1.329
local terms energy: -200.814641
where:
bonds (distance) C4'-P energy: -36.448
bonds (distance) P-C4' energy: -40.275
flat angles C4'-P-C4' energy: -40.172
flat angles P-C4'-P energy: -28.731
tors. eta vs tors. theta energy: -55.189
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: 7
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -579.624615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.624615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.624615 (E_RNA)
where:
Base-Base interactions energy: -377.296
where: short stacking energy: -167.607
Base-Backbone interact. energy: -0.360
local terms energy: -201.969408
where:
bonds (distance) C4'-P energy: -42.979
bonds (distance) P-C4' energy: -35.575
flat angles C4'-P-C4' energy: -41.394
flat angles P-C4'-P energy: -30.708
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: 5
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -530.537996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.537996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.537996 (E_RNA)
where:
Base-Base interactions energy: -345.831
where: short stacking energy: -138.863
Base-Backbone interact. energy: -1.214
local terms energy: -183.493028
where:
bonds (distance) C4'-P energy: -40.605
bonds (distance) P-C4' energy: -36.350
flat angles C4'-P-C4' energy: -39.432
flat angles P-C4'-P energy: -27.416
tors. eta vs tors. theta energy: -39.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -460.148141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.148141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.148141 (E_RNA)
where:
Base-Base interactions energy: -280.902
where: short stacking energy: -133.462
Base-Backbone interact. energy: 1.292
local terms energy: -180.538311
where:
bonds (distance) C4'-P energy: -36.249
bonds (distance) P-C4' energy: -38.324
flat angles C4'-P-C4' energy: -39.943
flat angles P-C4'-P energy: -28.891
tors. eta vs tors. theta energy: -37.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -300.079135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.079135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.079135 (E_RNA)
where:
Base-Base interactions energy: -168.433
where: short stacking energy: -101.675
Base-Backbone interact. energy: 1.279
local terms energy: -132.925970
where:
bonds (distance) C4'-P energy: -22.341
bonds (distance) P-C4' energy: -36.325
flat angles C4'-P-C4' energy: -31.841
flat angles P-C4'-P energy: -20.146
tors. eta vs tors. theta energy: -22.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -213.420625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.420625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.420625 (E_RNA)
where:
Base-Base interactions energy: -87.419
where: short stacking energy: -82.623
Base-Backbone interact. energy: 1.623
local terms energy: -127.625158
where:
bonds (distance) C4'-P energy: -26.878
bonds (distance) P-C4' energy: -40.385
flat angles C4'-P-C4' energy: -31.779
flat angles P-C4'-P energy: -22.567
tors. eta vs tors. theta energy: -6.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -201.902396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.902396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.902396 (E_RNA)
where:
Base-Base interactions energy: -77.780
where: short stacking energy: -69.986
Base-Backbone interact. energy: -0.081
local terms energy: -124.041178
where:
bonds (distance) C4'-P energy: -29.120
bonds (distance) P-C4' energy: -34.884
flat angles C4'-P-C4' energy: -35.412
flat angles P-C4'-P energy: -15.936
tors. eta vs tors. theta energy: -8.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -224.026673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.026673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.026673 (E_RNA)
where:
Base-Base interactions energy: -114.570
where: short stacking energy: -81.335
Base-Backbone interact. energy: 0.035
local terms energy: -109.490898
where:
bonds (distance) C4'-P energy: -33.621
bonds (distance) P-C4' energy: -29.037
flat angles C4'-P-C4' energy: -22.918
flat angles P-C4'-P energy: -21.717
tors. eta vs tors. theta energy: -2.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -677.734641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.734641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.734641 (E_RNA)
where:
Base-Base interactions energy: -458.255
where: short stacking energy: -201.795
Base-Backbone interact. energy: -0.704
local terms energy: -218.774918
where:
bonds (distance) C4'-P energy: -35.594
bonds (distance) P-C4' energy: -44.374
flat angles C4'-P-C4' energy: -43.826
flat angles P-C4'-P energy: -28.688
tors. eta vs tors. theta energy: -66.293
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: 3
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -621.345454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.345454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.345454 (E_RNA)
where:
Base-Base interactions energy: -405.446
where: short stacking energy: -174.346
Base-Backbone interact. energy: -0.634
local terms energy: -215.265546
where:
bonds (distance) C4'-P energy: -40.249
bonds (distance) P-C4' energy: -43.636
flat angles C4'-P-C4' energy: -41.690
flat angles P-C4'-P energy: -32.073
tors. eta vs tors. theta energy: -57.618
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: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -616.246126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.246126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.246126 (E_RNA)
where:
Base-Base interactions energy: -410.663
where: short stacking energy: -171.976
Base-Backbone interact. energy: -0.095
local terms energy: -205.488508
where:
bonds (distance) C4'-P energy: -42.637
bonds (distance) P-C4' energy: -37.867
flat angles C4'-P-C4' energy: -44.528
flat angles P-C4'-P energy: -28.511
tors. eta vs tors. theta energy: -51.945
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: 7
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -573.796776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.796776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.796776 (E_RNA)
where:
Base-Base interactions energy: -372.941
where: short stacking energy: -163.057
Base-Backbone interact. energy: -0.206
local terms energy: -200.649729
where:
bonds (distance) C4'-P energy: -37.261
bonds (distance) P-C4' energy: -36.475
flat angles C4'-P-C4' energy: -42.833
flat angles P-C4'-P energy: -32.538
tors. eta vs tors. theta energy: -51.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -553.146027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.146027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.146027 (E_RNA)
where:
Base-Base interactions energy: -352.454
where: short stacking energy: -142.168
Base-Backbone interact. energy: -0.487
local terms energy: -200.205560
where:
bonds (distance) C4'-P energy: -41.535
bonds (distance) P-C4' energy: -38.762
flat angles C4'-P-C4' energy: -42.429
flat angles P-C4'-P energy: -33.256
tors. eta vs tors. theta energy: -44.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -488.381895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.381895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.381895 (E_RNA)
where:
Base-Base interactions energy: -327.981
where: short stacking energy: -159.792
Base-Backbone interact. energy: -0.504
local terms energy: -159.896498
where:
bonds (distance) C4'-P energy: -30.414
bonds (distance) P-C4' energy: -35.628
flat angles C4'-P-C4' energy: -26.809
flat angles P-C4'-P energy: -23.837
tors. eta vs tors. theta energy: -43.209
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: 4
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -294.590029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.590029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.590029 (E_RNA)
where:
Base-Base interactions energy: -140.418
where: short stacking energy: -91.549
Base-Backbone interact. energy: 0.524
local terms energy: -154.695627
where:
bonds (distance) C4'-P energy: -38.239
bonds (distance) P-C4' energy: -33.965
flat angles C4'-P-C4' energy: -38.181
flat angles P-C4'-P energy: -27.461
tors. eta vs tors. theta energy: -16.849
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: 8
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -204.557679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.557679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.557679 (E_RNA)
where:
Base-Base interactions energy: -80.228
where: short stacking energy: -74.163
Base-Backbone interact. energy: 0.798
local terms energy: -125.127433
where:
bonds (distance) C4'-P energy: -35.952
bonds (distance) P-C4' energy: -33.309
flat angles C4'-P-C4' energy: -33.986
flat angles P-C4'-P energy: -19.808
tors. eta vs tors. theta energy: -2.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -174.192953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.192953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.192953 (E_RNA)
where:
Base-Base interactions energy: -54.388
where: short stacking energy: -40.858
Base-Backbone interact. energy: -0.551
local terms energy: -119.254506
where:
bonds (distance) C4'-P energy: -27.158
bonds (distance) P-C4' energy: -37.292
flat angles C4'-P-C4' energy: -34.972
flat angles P-C4'-P energy: -19.465
tors. eta vs tors. theta energy: -0.368
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: 10, replica: 6
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -181.632407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.632407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.632407 (E_RNA)
where:
Base-Base interactions energy: -74.304
where: short stacking energy: -47.539
Base-Backbone interact. energy: -0.879
local terms energy: -106.449440
where:
bonds (distance) C4'-P energy: -26.477
bonds (distance) P-C4' energy: -28.512
flat angles C4'-P-C4' energy: -33.244
flat angles P-C4'-P energy: -20.008
tors. eta vs tors. theta energy: 1.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -681.262040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.262040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.262040 (E_RNA)
where:
Base-Base interactions energy: -461.885
where: short stacking energy: -195.365
Base-Backbone interact. energy: -0.536
local terms energy: -218.841266
where:
bonds (distance) C4'-P energy: -37.466
bonds (distance) P-C4' energy: -41.371
flat angles C4'-P-C4' energy: -43.205
flat angles P-C4'-P energy: -31.672
tors. eta vs tors. theta energy: -65.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -627.057842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.057842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.057842 (E_RNA)
where:
Base-Base interactions energy: -417.623
where: short stacking energy: -188.429
Base-Backbone interact. energy: -0.099
local terms energy: -209.335808
where:
bonds (distance) C4'-P energy: -39.200
bonds (distance) P-C4' energy: -42.463
flat angles C4'-P-C4' energy: -39.042
flat angles P-C4'-P energy: -32.102
tors. eta vs tors. theta energy: -56.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -618.748748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.748748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.748748 (E_RNA)
where:
Base-Base interactions energy: -423.754
where: short stacking energy: -166.177
Base-Backbone interact. energy: -2.260
local terms energy: -192.734723
where:
bonds (distance) C4'-P energy: -37.617
bonds (distance) P-C4' energy: -44.774
flat angles C4'-P-C4' energy: -33.264
flat angles P-C4'-P energy: -31.005
tors. eta vs tors. theta energy: -46.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -589.324923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.324923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.324923 (E_RNA)
where:
Base-Base interactions energy: -379.616
where: short stacking energy: -171.213
Base-Backbone interact. energy: -1.025
local terms energy: -208.683743
where:
bonds (distance) C4'-P energy: -38.772
bonds (distance) P-C4' energy: -33.486
flat angles C4'-P-C4' energy: -46.546
flat angles P-C4'-P energy: -29.366
tors. eta vs tors. theta energy: -60.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -541.020262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.020262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.020262 (E_RNA)
where:
Base-Base interactions energy: -367.733
where: short stacking energy: -155.513
Base-Backbone interact. energy: 0.021
local terms energy: -173.309216
where:
bonds (distance) C4'-P energy: -36.077
bonds (distance) P-C4' energy: -33.951
flat angles C4'-P-C4' energy: -42.897
flat angles P-C4'-P energy: -18.991
tors. eta vs tors. theta energy: -41.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -466.676913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.676913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.676913 (E_RNA)
where:
Base-Base interactions energy: -287.603
where: short stacking energy: -114.613
Base-Backbone interact. energy: -0.133
local terms energy: -178.940650
where:
bonds (distance) C4'-P energy: -45.200
bonds (distance) P-C4' energy: -36.389
flat angles C4'-P-C4' energy: -31.545
flat angles P-C4'-P energy: -31.566
tors. eta vs tors. theta energy: -34.241
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: 4
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -290.004432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.004432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.004432 (E_RNA)
where:
Base-Base interactions energy: -164.064
where: short stacking energy: -82.581
Base-Backbone interact. energy: -0.955
local terms energy: -124.985375
where:
bonds (distance) C4'-P energy: -28.786
bonds (distance) P-C4' energy: -25.335
flat angles C4'-P-C4' energy: -28.358
flat angles P-C4'-P energy: -27.484
tors. eta vs tors. theta energy: -15.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -185.789971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.789971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.789971 (E_RNA)
where:
Base-Base interactions energy: -66.059
where: short stacking energy: -51.898
Base-Backbone interact. energy: 0.451
local terms energy: -120.181807
where:
bonds (distance) C4'-P energy: -32.151
bonds (distance) P-C4' energy: -31.409
flat angles C4'-P-C4' energy: -34.368
flat angles P-C4'-P energy: -19.621
tors. eta vs tors. theta energy: -2.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -197.218354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.218354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.218354 (E_RNA)
where:
Base-Base interactions energy: -92.554
where: short stacking energy: -47.853
Base-Backbone interact. energy: -0.537
local terms energy: -104.127048
where:
bonds (distance) C4'-P energy: -28.010
bonds (distance) P-C4' energy: -28.889
flat angles C4'-P-C4' energy: -27.891
flat angles P-C4'-P energy: -18.564
tors. eta vs tors. theta energy: -0.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -178.876287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.876287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.876287 (E_RNA)
where:
Base-Base interactions energy: -54.455
where: short stacking energy: -40.613
Base-Backbone interact. energy: -0.988
local terms energy: -123.433230
where:
bonds (distance) C4'-P energy: -40.786
bonds (distance) P-C4' energy: -42.058
flat angles C4'-P-C4' energy: -25.936
flat angles P-C4'-P energy: -18.070
tors. eta vs tors. theta energy: 3.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -677.697093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.697093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.697093 (E_RNA)
where:
Base-Base interactions energy: -454.164
where: short stacking energy: -194.259
Base-Backbone interact. energy: -0.232
local terms energy: -223.300766
where:
bonds (distance) C4'-P energy: -37.169
bonds (distance) P-C4' energy: -48.067
flat angles C4'-P-C4' energy: -42.499
flat angles P-C4'-P energy: -30.597
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: 2, replica: 3
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -636.980845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.980845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.980845 (E_RNA)
where:
Base-Base interactions energy: -414.445
where: short stacking energy: -186.454
Base-Backbone interact. energy: -0.114
local terms energy: -222.421890
where:
bonds (distance) C4'-P energy: -37.765
bonds (distance) P-C4' energy: -44.039
flat angles C4'-P-C4' energy: -40.493
flat angles P-C4'-P energy: -37.564
tors. eta vs tors. theta energy: -62.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -598.447024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.447024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.447024 (E_RNA)
where:
Base-Base interactions energy: -394.047
where: short stacking energy: -170.790
Base-Backbone interact. energy: -1.760
local terms energy: -202.639988
where:
bonds (distance) C4'-P energy: -40.844
bonds (distance) P-C4' energy: -35.429
flat angles C4'-P-C4' energy: -49.997
flat angles P-C4'-P energy: -21.722
tors. eta vs tors. theta energy: -54.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -538.387814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.387814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.387814 (E_RNA)
where:
Base-Base interactions energy: -367.093
where: short stacking energy: -142.216
Base-Backbone interact. energy: -1.934
local terms energy: -169.360861
where:
bonds (distance) C4'-P energy: -37.729
bonds (distance) P-C4' energy: -32.566
flat angles C4'-P-C4' energy: -27.744
flat angles P-C4'-P energy: -27.455
tors. eta vs tors. theta energy: -43.866
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: 7
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -576.740334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.740334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.740334 (E_RNA)
where:
Base-Base interactions energy: -385.146
where: short stacking energy: -178.896
Base-Backbone interact. energy: -0.006
local terms energy: -191.587602
where:
bonds (distance) C4'-P energy: -32.706
bonds (distance) P-C4' energy: -40.931
flat angles C4'-P-C4' energy: -41.818
flat angles P-C4'-P energy: -25.808
tors. eta vs tors. theta energy: -50.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -447.376630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.376630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.376630 (E_RNA)
where:
Base-Base interactions energy: -274.378
where: short stacking energy: -123.421
Base-Backbone interact. energy: -1.862
local terms energy: -171.136654
where:
bonds (distance) C4'-P energy: -30.081
bonds (distance) P-C4' energy: -39.878
flat angles C4'-P-C4' energy: -38.240
flat angles P-C4'-P energy: -27.870
tors. eta vs tors. theta energy: -35.068
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: 4
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -314.119229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.119229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.119229 (E_RNA)
where:
Base-Base interactions energy: -168.851
where: short stacking energy: -80.578
Base-Backbone interact. energy: -0.355
local terms energy: -144.913404
where:
bonds (distance) C4'-P energy: -39.107
bonds (distance) P-C4' energy: -37.427
flat angles C4'-P-C4' energy: -32.843
flat angles P-C4'-P energy: -21.694
tors. eta vs tors. theta energy: -13.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -198.419804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.419804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.419804 (E_RNA)
where:
Base-Base interactions energy: -71.252
where: short stacking energy: -68.612
Base-Backbone interact. energy: -0.524
local terms energy: -126.643308
where:
bonds (distance) C4'-P energy: -30.479
bonds (distance) P-C4' energy: -32.034
flat angles C4'-P-C4' energy: -34.334
flat angles P-C4'-P energy: -22.590
tors. eta vs tors. theta energy: -7.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -187.946792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.946792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.946792 (E_RNA)
where:
Base-Base interactions energy: -80.718
where: short stacking energy: -62.363
Base-Backbone interact. energy: -0.890
local terms energy: -106.338612
where:
bonds (distance) C4'-P energy: -19.874
bonds (distance) P-C4' energy: -39.912
flat angles C4'-P-C4' energy: -33.207
flat angles P-C4'-P energy: -15.201
tors. eta vs tors. theta energy: 1.855
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: 10, replica: 10
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -183.866238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.866238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.866238 (E_RNA)
where:
Base-Base interactions energy: -65.363
where: short stacking energy: -51.464
Base-Backbone interact. energy: -0.465
local terms energy: -118.038466
where:
bonds (distance) C4'-P energy: -31.237
bonds (distance) P-C4' energy: -34.318
flat angles C4'-P-C4' energy: -36.837
flat angles P-C4'-P energy: -15.333
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: 1, replica: 9
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -672.053776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.053776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.053776 (E_RNA)
where:
Base-Base interactions energy: -468.882
where: short stacking energy: -201.040
Base-Backbone interact. energy: 0.706
local terms energy: -203.878027
where:
bonds (distance) C4'-P energy: -44.490
bonds (distance) P-C4' energy: -34.854
flat angles C4'-P-C4' energy: -39.265
flat angles P-C4'-P energy: -26.090
tors. eta vs tors. theta energy: -59.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -641.751772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.751772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.751772 (E_RNA)
where:
Base-Base interactions energy: -417.666
where: short stacking energy: -185.196
Base-Backbone interact. energy: -0.055
local terms energy: -224.031535
where:
bonds (distance) C4'-P energy: -38.901
bonds (distance) P-C4' energy: -42.343
flat angles C4'-P-C4' energy: -45.829
flat angles P-C4'-P energy: -38.178
tors. eta vs tors. theta energy: -58.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -605.768370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.768370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.768370 (E_RNA)
where:
Base-Base interactions energy: -405.708
where: short stacking energy: -185.631
Base-Backbone interact. energy: -0.071
local terms energy: -199.989796
where:
bonds (distance) C4'-P energy: -36.871
bonds (distance) P-C4' energy: -40.438
flat angles C4'-P-C4' energy: -43.327
flat angles P-C4'-P energy: -27.258
tors. eta vs tors. theta energy: -52.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -536.367255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.367255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.367255 (E_RNA)
where:
Base-Base interactions energy: -370.507
where: short stacking energy: -147.500
Base-Backbone interact. energy: -1.401
local terms energy: -164.458560
where:
bonds (distance) C4'-P energy: -33.929
bonds (distance) P-C4' energy: -35.779
flat angles C4'-P-C4' energy: -34.722
flat angles P-C4'-P energy: -28.603
tors. eta vs tors. theta energy: -31.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -582.772524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.772524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.772524 (E_RNA)
where:
Base-Base interactions energy: -377.434
where: short stacking energy: -178.625
Base-Backbone interact. energy: 1.703
local terms energy: -207.041518
where:
bonds (distance) C4'-P energy: -39.850
bonds (distance) P-C4' energy: -38.116
flat angles C4'-P-C4' energy: -39.265
flat angles P-C4'-P energy: -33.001
tors. eta vs tors. theta energy: -56.809
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: 2
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -444.610122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.610122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.610122 (E_RNA)
where:
Base-Base interactions energy: -255.758
where: short stacking energy: -115.719
Base-Backbone interact. energy: -2.666
local terms energy: -186.186243
where:
bonds (distance) C4'-P energy: -39.828
bonds (distance) P-C4' energy: -39.253
flat angles C4'-P-C4' energy: -39.911
flat angles P-C4'-P energy: -27.570
tors. eta vs tors. theta energy: -39.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -321.590243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.590243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.590243 (E_RNA)
where:
Base-Base interactions energy: -178.024
where: short stacking energy: -108.184
Base-Backbone interact. energy: 1.987
local terms energy: -145.553298
where:
bonds (distance) C4'-P energy: -30.419
bonds (distance) P-C4' energy: -36.233
flat angles C4'-P-C4' energy: -36.633
flat angles P-C4'-P energy: -19.565
tors. eta vs tors. theta energy: -22.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -188.830028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.830028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.830028 (E_RNA)
where:
Base-Base interactions energy: -64.218
where: short stacking energy: -53.153
Base-Backbone interact. energy: -0.444
local terms energy: -124.167763
where:
bonds (distance) C4'-P energy: -39.366
bonds (distance) P-C4' energy: -38.374
flat angles C4'-P-C4' energy: -32.513
flat angles P-C4'-P energy: -14.357
tors. eta vs tors. theta energy: 0.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -188.444010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.444010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.444010 (E_RNA)
where:
Base-Base interactions energy: -70.209
where: short stacking energy: -56.943
Base-Backbone interact. energy: -0.532
local terms energy: -117.703194
where:
bonds (distance) C4'-P energy: -31.876
bonds (distance) P-C4' energy: -35.674
flat angles C4'-P-C4' energy: -27.652
flat angles P-C4'-P energy: -19.118
tors. eta vs tors. theta energy: -3.383
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: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -169.512914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.512914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.512914 (E_RNA)
where:
Base-Base interactions energy: -51.151
where: short stacking energy: -45.753
Base-Backbone interact. energy: -0.301
local terms energy: -118.060795
where:
bonds (distance) C4'-P energy: -33.724
bonds (distance) P-C4' energy: -39.543
flat angles C4'-P-C4' energy: -31.249
flat angles P-C4'-P energy: -18.141
tors. eta vs tors. theta energy: 4.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -664.895118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.895118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.895118 (E_RNA)
where:
Base-Base interactions energy: -454.881
where: short stacking energy: -192.394
Base-Backbone interact. energy: -0.267
local terms energy: -209.747363
where:
bonds (distance) C4'-P energy: -38.795
bonds (distance) P-C4' energy: -47.469
flat angles C4'-P-C4' energy: -33.937
flat angles P-C4'-P energy: -30.865
tors. eta vs tors. theta energy: -58.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -631.259899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.259899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.259899 (E_RNA)
where:
Base-Base interactions energy: -420.585
where: short stacking energy: -189.553
Base-Backbone interact. energy: -1.449
local terms energy: -209.226422
where:
bonds (distance) C4'-P energy: -41.461
bonds (distance) P-C4' energy: -37.152
flat angles C4'-P-C4' energy: -41.381
flat angles P-C4'-P energy: -27.361
tors. eta vs tors. theta energy: -61.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -589.968505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.968505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.968505 (E_RNA)
where:
Base-Base interactions energy: -383.727
where: short stacking energy: -174.283
Base-Backbone interact. energy: -2.274
local terms energy: -203.966695
where:
bonds (distance) C4'-P energy: -38.779
bonds (distance) P-C4' energy: -37.556
flat angles C4'-P-C4' energy: -41.076
flat angles P-C4'-P energy: -30.669
tors. eta vs tors. theta energy: -55.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -588.437852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.437852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.437852 (E_RNA)
where:
Base-Base interactions energy: -391.205
where: short stacking energy: -175.161
Base-Backbone interact. energy: -0.546
local terms energy: -196.686292
where:
bonds (distance) C4'-P energy: -33.232
bonds (distance) P-C4' energy: -43.672
flat angles C4'-P-C4' energy: -38.920
flat angles P-C4'-P energy: -31.701
tors. eta vs tors. theta energy: -49.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -538.138685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.138685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.138685 (E_RNA)
where:
Base-Base interactions energy: -366.324
where: short stacking energy: -157.620
Base-Backbone interact. energy: -1.646
local terms energy: -170.169131
where:
bonds (distance) C4'-P energy: -29.662
bonds (distance) P-C4' energy: -39.263
flat angles C4'-P-C4' energy: -38.179
flat angles P-C4'-P energy: -25.206
tors. eta vs tors. theta energy: -37.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -409.862249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.862249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.862249 (E_RNA)
where:
Base-Base interactions energy: -246.145
where: short stacking energy: -113.281
Base-Backbone interact. energy: -0.319
local terms energy: -163.398158
where:
bonds (distance) C4'-P energy: -28.344
bonds (distance) P-C4' energy: -41.089
flat angles C4'-P-C4' energy: -39.347
flat angles P-C4'-P energy: -26.433
tors. eta vs tors. theta energy: -28.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -306.412434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.412434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.412434 (E_RNA)
where:
Base-Base interactions energy: -170.166
where: short stacking energy: -97.662
Base-Backbone interact. energy: 0.761
local terms energy: -137.007062
where:
bonds (distance) C4'-P energy: -39.182
bonds (distance) P-C4' energy: -40.641
flat angles C4'-P-C4' energy: -32.025
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -11.191
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: 6
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -193.109821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.109821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.109821 (E_RNA)
where:
Base-Base interactions energy: -66.464
where: short stacking energy: -60.906
Base-Backbone interact. energy: 0.614
local terms energy: -127.260006
where:
bonds (distance) C4'-P energy: -30.189
bonds (distance) P-C4' energy: -45.603
flat angles C4'-P-C4' energy: -33.373
flat angles P-C4'-P energy: -17.469
tors. eta vs tors. theta energy: -0.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -179.142364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.142364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.142364 (E_RNA)
where:
Base-Base interactions energy: -57.165
where: short stacking energy: -46.267
Base-Backbone interact. energy: 0.061
local terms energy: -122.038716
where:
bonds (distance) C4'-P energy: -32.092
bonds (distance) P-C4' energy: -31.690
flat angles C4'-P-C4' energy: -38.025
flat angles P-C4'-P energy: -23.817
tors. eta vs tors. theta energy: 3.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -168.141115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.141115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.141115 (E_RNA)
where:
Base-Base interactions energy: -53.059
where: short stacking energy: -36.794
Base-Backbone interact. energy: 0.097
local terms energy: -115.178467
where:
bonds (distance) C4'-P energy: -32.666
bonds (distance) P-C4' energy: -44.539
flat angles C4'-P-C4' energy: -21.993
flat angles P-C4'-P energy: -19.176
tors. eta vs tors. theta energy: 3.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -666.027370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.027370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.027370 (E_RNA)
where:
Base-Base interactions energy: -451.189
where: short stacking energy: -201.380
Base-Backbone interact. energy: -0.689
local terms energy: -214.149652
where:
bonds (distance) C4'-P energy: -36.690
bonds (distance) P-C4' energy: -41.120
flat angles C4'-P-C4' energy: -45.589
flat angles P-C4'-P energy: -29.679
tors. eta vs tors. theta energy: -61.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -639.833752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.833752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.833752 (E_RNA)
where:
Base-Base interactions energy: -426.329
where: short stacking energy: -179.655
Base-Backbone interact. energy: 0.743
local terms energy: -214.247837
where:
bonds (distance) C4'-P energy: -39.204
bonds (distance) P-C4' energy: -40.647
flat angles C4'-P-C4' energy: -44.401
flat angles P-C4'-P energy: -34.496
tors. eta vs tors. theta energy: -55.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -613.761716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.761716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.761716 (E_RNA)
where:
Base-Base interactions energy: -411.406
where: short stacking energy: -193.034
Base-Backbone interact. energy: -0.052
local terms energy: -202.303458
where:
bonds (distance) C4'-P energy: -35.591
bonds (distance) P-C4' energy: -39.473
flat angles C4'-P-C4' energy: -42.384
flat angles P-C4'-P energy: -23.592
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: 4, replica: 1
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -590.163532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.163532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.163532 (E_RNA)
where:
Base-Base interactions energy: -396.839
where: short stacking energy: -182.498
Base-Backbone interact. energy: -0.766
local terms energy: -192.559131
where:
bonds (distance) C4'-P energy: -37.997
bonds (distance) P-C4' energy: -35.121
flat angles C4'-P-C4' energy: -38.118
flat angles P-C4'-P energy: -29.830
tors. eta vs tors. theta energy: -51.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -547.214386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.214386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.214386 (E_RNA)
where:
Base-Base interactions energy: -371.328
where: short stacking energy: -167.245
Base-Backbone interact. energy: 2.774
local terms energy: -178.660140
where:
bonds (distance) C4'-P energy: -39.117
bonds (distance) P-C4' energy: -33.416
flat angles C4'-P-C4' energy: -35.456
flat angles P-C4'-P energy: -27.018
tors. eta vs tors. theta energy: -43.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -426.258334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.258334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.258334 (E_RNA)
where:
Base-Base interactions energy: -270.106
where: short stacking energy: -127.916
Base-Backbone interact. energy: -2.101
local terms energy: -154.051129
where:
bonds (distance) C4'-P energy: -33.861
bonds (distance) P-C4' energy: -38.641
flat angles C4'-P-C4' energy: -33.338
flat angles P-C4'-P energy: -20.247
tors. eta vs tors. theta energy: -27.964
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: 4
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -316.749868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.749868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.749868 (E_RNA)
where:
Base-Base interactions energy: -197.193
where: short stacking energy: -86.412
Base-Backbone interact. energy: -0.230
local terms energy: -119.326643
where:
bonds (distance) C4'-P energy: -31.721
bonds (distance) P-C4' energy: -34.885
flat angles C4'-P-C4' energy: -29.085
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -13.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -238.010431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.010431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.010431 (E_RNA)
where:
Base-Base interactions energy: -132.038
where: short stacking energy: -73.390
Base-Backbone interact. energy: -1.745
local terms energy: -104.227354
where:
bonds (distance) C4'-P energy: -24.194
bonds (distance) P-C4' energy: -23.719
flat angles C4'-P-C4' energy: -31.415
flat angles P-C4'-P energy: -20.849
tors. eta vs tors. theta energy: -4.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -178.888143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.888143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.888143 (E_RNA)
where:
Base-Base interactions energy: -50.142
where: short stacking energy: -41.750
Base-Backbone interact. energy: 1.195
local terms energy: -129.940759
where:
bonds (distance) C4'-P energy: -32.140
bonds (distance) P-C4' energy: -39.860
flat angles C4'-P-C4' energy: -36.045
flat angles P-C4'-P energy: -15.455
tors. eta vs tors. theta energy: -6.440
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: 10, replica: 8
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -160.577835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.577835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.577835 (E_RNA)
where:
Base-Base interactions energy: -44.674
where: short stacking energy: -40.816
Base-Backbone interact. energy: 0.273
local terms energy: -116.176550
where:
bonds (distance) C4'-P energy: -41.930
bonds (distance) P-C4' energy: -37.527
flat angles C4'-P-C4' energy: -26.213
flat angles P-C4'-P energy: -16.144
tors. eta vs tors. theta energy: 5.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -679.392294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.392294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.392294 (E_RNA)
where:
Base-Base interactions energy: -466.789
where: short stacking energy: -199.740
Base-Backbone interact. energy: -1.012
local terms energy: -211.591299
where:
bonds (distance) C4'-P energy: -38.217
bonds (distance) P-C4' energy: -35.872
flat angles C4'-P-C4' energy: -42.792
flat angles P-C4'-P energy: -29.126
tors. eta vs tors. theta energy: -65.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -634.600446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.600446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.600446 (E_RNA)
where:
Base-Base interactions energy: -430.474
where: short stacking energy: -177.804
Base-Backbone interact. energy: -1.713
local terms energy: -202.413494
where:
bonds (distance) C4'-P energy: -33.602
bonds (distance) P-C4' energy: -45.917
flat angles C4'-P-C4' energy: -42.223
flat angles P-C4'-P energy: -25.521
tors. eta vs tors. theta energy: -55.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -609.949765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.949765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.949765 (E_RNA)
where:
Base-Base interactions energy: -396.070
where: short stacking energy: -180.388
Base-Backbone interact. energy: -0.503
local terms energy: -213.376843
where:
bonds (distance) C4'-P energy: -38.768
bonds (distance) P-C4' energy: -43.268
flat angles C4'-P-C4' energy: -46.664
flat angles P-C4'-P energy: -24.119
tors. eta vs tors. theta energy: -60.558
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: 261
Temperature: 1.050000
Total energy: -593.412795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.412795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.412795 (E_RNA)
where:
Base-Base interactions energy: -405.481
where: short stacking energy: -177.080
Base-Backbone interact. energy: 2.845
local terms energy: -190.776971
where:
bonds (distance) C4'-P energy: -24.816
bonds (distance) P-C4' energy: -44.774
flat angles C4'-P-C4' energy: -38.939
flat angles P-C4'-P energy: -34.450
tors. eta vs tors. theta energy: -47.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -577.979173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.979173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.979173 (E_RNA)
where:
Base-Base interactions energy: -380.326
where: short stacking energy: -165.532
Base-Backbone interact. energy: 0.788
local terms energy: -198.441223
where:
bonds (distance) C4'-P energy: -39.909
bonds (distance) P-C4' energy: -38.329
flat angles C4'-P-C4' energy: -38.927
flat angles P-C4'-P energy: -29.444
tors. eta vs tors. theta energy: -51.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -419.473600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.473600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.473600 (E_RNA)
where:
Base-Base interactions energy: -248.773
where: short stacking energy: -110.436
Base-Backbone interact. energy: -0.780
local terms energy: -169.920737
where:
bonds (distance) C4'-P energy: -33.206
bonds (distance) P-C4' energy: -42.701
flat angles C4'-P-C4' energy: -35.794
flat angles P-C4'-P energy: -27.516
tors. eta vs tors. theta energy: -30.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -326.800268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.800268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.800268 (E_RNA)
where:
Base-Base interactions energy: -177.126
where: short stacking energy: -87.707
Base-Backbone interact. energy: 0.331
local terms energy: -150.005389
where:
bonds (distance) C4'-P energy: -29.885
bonds (distance) P-C4' energy: -36.536
flat angles C4'-P-C4' energy: -39.617
flat angles P-C4'-P energy: -22.805
tors. eta vs tors. theta energy: -21.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -226.746489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.746489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.746489 (E_RNA)
where:
Base-Base interactions energy: -101.744
where: short stacking energy: -74.622
Base-Backbone interact. energy: 0.161
local terms energy: -125.163522
where:
bonds (distance) C4'-P energy: -26.921
bonds (distance) P-C4' energy: -37.429
flat angles C4'-P-C4' energy: -27.608
flat angles P-C4'-P energy: -24.162
tors. eta vs tors. theta energy: -9.044
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: 261
Temperature: 1.300000
Total energy: -177.730263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.730263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.730263 (E_RNA)
where:
Base-Base interactions energy: -66.968
where: short stacking energy: -58.730
Base-Backbone interact. energy: -0.618
local terms energy: -110.144688
where:
bonds (distance) C4'-P energy: -27.688
bonds (distance) P-C4' energy: -31.997
flat angles C4'-P-C4' energy: -27.638
flat angles P-C4'-P energy: -15.568
tors. eta vs tors. theta energy: -7.254
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: 8
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -162.606641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.606641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.606641 (E_RNA)
where:
Base-Base interactions energy: -61.586
where: short stacking energy: -37.129
Base-Backbone interact. energy: 0.700
local terms energy: -101.721253
where:
bonds (distance) C4'-P energy: -28.325
bonds (distance) P-C4' energy: -40.135
flat angles C4'-P-C4' energy: -25.893
flat angles P-C4'-P energy: -15.697
tors. eta vs tors. theta energy: 8.330
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: 1, replica: 9
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -687.999087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.999087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.999087 (E_RNA)
where:
Base-Base interactions energy: -467.419
where: short stacking energy: -196.107
Base-Backbone interact. energy: -0.263
local terms energy: -220.317488
where:
bonds (distance) C4'-P energy: -39.794
bonds (distance) P-C4' energy: -41.073
flat angles C4'-P-C4' energy: -45.513
flat angles P-C4'-P energy: -24.855
tors. eta vs tors. theta energy: -69.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -639.769961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.769961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.769961 (E_RNA)
where:
Base-Base interactions energy: -417.068
where: short stacking energy: -171.715
Base-Backbone interact. energy: -0.873
local terms energy: -221.828316
where:
bonds (distance) C4'-P energy: -46.303
bonds (distance) P-C4' energy: -43.926
flat angles C4'-P-C4' energy: -45.586
flat angles P-C4'-P energy: -25.468
tors. eta vs tors. theta energy: -60.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -609.201444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.201444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.201444 (E_RNA)
where:
Base-Base interactions energy: -403.137
where: short stacking energy: -178.271
Base-Backbone interact. energy: -1.883
local terms energy: -204.181585
where:
bonds (distance) C4'-P energy: -36.381
bonds (distance) P-C4' energy: -35.464
flat angles C4'-P-C4' energy: -43.228
flat angles P-C4'-P energy: -35.299
tors. eta vs tors. theta energy: -53.808
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: 5
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -578.565572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.565572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.565572 (E_RNA)
where:
Base-Base interactions energy: -399.338
where: short stacking energy: -167.560
Base-Backbone interact. energy: -0.463
local terms energy: -178.765073
where:
bonds (distance) C4'-P energy: -33.178
bonds (distance) P-C4' energy: -39.683
flat angles C4'-P-C4' energy: -32.259
flat angles P-C4'-P energy: -26.715
tors. eta vs tors. theta energy: -46.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -552.199017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.199017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.199017 (E_RNA)
where:
Base-Base interactions energy: -369.361
where: short stacking energy: -166.988
Base-Backbone interact. energy: -0.395
local terms energy: -182.443200
where:
bonds (distance) C4'-P energy: -34.662
bonds (distance) P-C4' energy: -34.084
flat angles C4'-P-C4' energy: -39.726
flat angles P-C4'-P energy: -24.503
tors. eta vs tors. theta energy: -49.467
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: 2
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -455.707598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.707598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.707598 (E_RNA)
where:
Base-Base interactions energy: -282.761
where: short stacking energy: -129.363
Base-Backbone interact. energy: 1.701
local terms energy: -174.647078
where:
bonds (distance) C4'-P energy: -38.018
bonds (distance) P-C4' energy: -33.324
flat angles C4'-P-C4' energy: -39.921
flat angles P-C4'-P energy: -27.019
tors. eta vs tors. theta energy: -36.365
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: 4
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -327.713530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.713530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.713530 (E_RNA)
where:
Base-Base interactions energy: -188.209
where: short stacking energy: -98.705
Base-Backbone interact. energy: -0.327
local terms energy: -139.177543
where:
bonds (distance) C4'-P energy: -32.042
bonds (distance) P-C4' energy: -30.967
flat angles C4'-P-C4' energy: -37.222
flat angles P-C4'-P energy: -17.856
tors. eta vs tors. theta energy: -21.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -201.261769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.261769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.261769 (E_RNA)
where:
Base-Base interactions energy: -77.650
where: short stacking energy: -69.669
Base-Backbone interact. energy: -0.870
local terms energy: -122.742197
where:
bonds (distance) C4'-P energy: -25.404
bonds (distance) P-C4' energy: -32.474
flat angles C4'-P-C4' energy: -34.917
flat angles P-C4'-P energy: -28.091
tors. eta vs tors. theta energy: -1.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -194.921298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.921298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.921298 (E_RNA)
where:
Base-Base interactions energy: -89.787
where: short stacking energy: -61.140
Base-Backbone interact. energy: -0.940
local terms energy: -104.194302
where:
bonds (distance) C4'-P energy: -36.092
bonds (distance) P-C4' energy: -34.501
flat angles C4'-P-C4' energy: -28.448
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: 2.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -169.974974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.974974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.974974 (E_RNA)
where:
Base-Base interactions energy: -56.508
where: short stacking energy: -31.638
Base-Backbone interact. energy: -0.052
local terms energy: -113.414808
where:
bonds (distance) C4'-P energy: -34.819
bonds (distance) P-C4' energy: -43.054
flat angles C4'-P-C4' energy: -20.912
flat angles P-C4'-P energy: -20.679
tors. eta vs tors. theta energy: 6.049
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: 9
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -680.734092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.734092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.734092 (E_RNA)
where:
Base-Base interactions energy: -464.247
where: short stacking energy: -194.011
Base-Backbone interact. energy: -0.370
local terms energy: -216.117260
where:
bonds (distance) C4'-P energy: -38.064
bonds (distance) P-C4' energy: -37.428
flat angles C4'-P-C4' energy: -43.714
flat angles P-C4'-P energy: -33.908
tors. eta vs tors. theta energy: -63.003
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: 7
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -621.703983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.703983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.703983 (E_RNA)
where:
Base-Base interactions energy: -417.695
where: short stacking energy: -201.172
Base-Backbone interact. energy: -0.103
local terms energy: -203.905658
where:
bonds (distance) C4'-P energy: -37.098
bonds (distance) P-C4' energy: -39.027
flat angles C4'-P-C4' energy: -43.108
flat angles P-C4'-P energy: -26.030
tors. eta vs tors. theta energy: -58.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -625.307414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.307414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.307414 (E_RNA)
where:
Base-Base interactions energy: -410.418
where: short stacking energy: -181.451
Base-Backbone interact. energy: -0.706
local terms energy: -214.182920
where:
bonds (distance) C4'-P energy: -38.999
bonds (distance) P-C4' energy: -41.509
flat angles C4'-P-C4' energy: -42.315
flat angles P-C4'-P energy: -31.674
tors. eta vs tors. theta energy: -59.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -531.119878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.119878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.119878 (E_RNA)
where:
Base-Base interactions energy: -357.125
where: short stacking energy: -139.765
Base-Backbone interact. energy: -1.081
local terms energy: -172.914242
where:
bonds (distance) C4'-P energy: -36.605
bonds (distance) P-C4' energy: -33.617
flat angles C4'-P-C4' energy: -33.639
flat angles P-C4'-P energy: -28.080
tors. eta vs tors. theta energy: -40.973
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: 1
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -566.659851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.659851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.659851 (E_RNA)
where:
Base-Base interactions energy: -363.726
where: short stacking energy: -180.545
Base-Backbone interact. energy: -1.338
local terms energy: -201.595621
where:
bonds (distance) C4'-P energy: -37.569
bonds (distance) P-C4' energy: -40.997
flat angles C4'-P-C4' energy: -42.961
flat angles P-C4'-P energy: -24.644
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: 6, replica: 2
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -425.435293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.435293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.435293 (E_RNA)
where:
Base-Base interactions energy: -251.228
where: short stacking energy: -128.972
Base-Backbone interact. energy: -1.363
local terms energy: -172.844167
where:
bonds (distance) C4'-P energy: -32.036
bonds (distance) P-C4' energy: -34.553
flat angles C4'-P-C4' energy: -46.300
flat angles P-C4'-P energy: -22.205
tors. eta vs tors. theta energy: -37.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -330.233155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.233155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.233155 (E_RNA)
where:
Base-Base interactions energy: -190.598
where: short stacking energy: -90.758
Base-Backbone interact. energy: -1.581
local terms energy: -138.053698
where:
bonds (distance) C4'-P energy: -35.720
bonds (distance) P-C4' energy: -32.558
flat angles C4'-P-C4' energy: -39.853
flat angles P-C4'-P energy: -15.945
tors. eta vs tors. theta energy: -13.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -199.288407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.288407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.288407 (E_RNA)
where:
Base-Base interactions energy: -69.421
where: short stacking energy: -64.092
Base-Backbone interact. energy: -0.172
local terms energy: -129.695697
where:
bonds (distance) C4'-P energy: -33.113
bonds (distance) P-C4' energy: -44.675
flat angles C4'-P-C4' energy: -25.488
flat angles P-C4'-P energy: -25.063
tors. eta vs tors. theta energy: -1.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -180.197796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.197796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.197796 (E_RNA)
where:
Base-Base interactions energy: -72.414
where: short stacking energy: -51.519
Base-Backbone interact. energy: -0.967
local terms energy: -106.817404
where:
bonds (distance) C4'-P energy: -32.924
bonds (distance) P-C4' energy: -37.583
flat angles C4'-P-C4' energy: -26.541
flat angles P-C4'-P energy: -11.087
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: 10, replica: 8
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -191.740242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.740242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.740242 (E_RNA)
where:
Base-Base interactions energy: -53.000
where: short stacking energy: -49.809
Base-Backbone interact. energy: 1.077
local terms energy: -139.817507
where:
bonds (distance) C4'-P energy: -25.210
bonds (distance) P-C4' energy: -42.886
flat angles C4'-P-C4' energy: -38.030
flat angles P-C4'-P energy: -25.035
tors. eta vs tors. theta energy: -8.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -669.177414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.177414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.177414 (E_RNA)
where:
Base-Base interactions energy: -459.118
where: short stacking energy: -191.851
Base-Backbone interact. energy: -0.630
local terms energy: -209.429429
where:
bonds (distance) C4'-P energy: -40.688
bonds (distance) P-C4' energy: -33.456
flat angles C4'-P-C4' energy: -45.356
flat angles P-C4'-P energy: -28.454
tors. eta vs tors. theta energy: -61.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -625.740098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.740098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.740098 (E_RNA)
where:
Base-Base interactions energy: -415.619
where: short stacking energy: -205.689
Base-Backbone interact. energy: -0.074
local terms energy: -210.046574
where:
bonds (distance) C4'-P energy: -36.743
bonds (distance) P-C4' energy: -45.757
flat angles C4'-P-C4' energy: -39.080
flat angles P-C4'-P energy: -27.274
tors. eta vs tors. theta energy: -61.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -612.687565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.687565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.687565 (E_RNA)
where:
Base-Base interactions energy: -407.751
where: short stacking energy: -180.662
Base-Backbone interact. energy: -0.051
local terms energy: -204.885813
where:
bonds (distance) C4'-P energy: -37.790
bonds (distance) P-C4' energy: -40.478
flat angles C4'-P-C4' energy: -42.290
flat angles P-C4'-P energy: -29.667
tors. eta vs tors. theta energy: -54.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -558.421766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.421766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.421766 (E_RNA)
where:
Base-Base interactions energy: -370.218
where: short stacking energy: -152.709
Base-Backbone interact. energy: -0.801
local terms energy: -187.402204
where:
bonds (distance) C4'-P energy: -36.956
bonds (distance) P-C4' energy: -38.394
flat angles C4'-P-C4' energy: -39.207
flat angles P-C4'-P energy: -25.657
tors. eta vs tors. theta energy: -47.189
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: 1
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -549.142354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.142354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.142354 (E_RNA)
where:
Base-Base interactions energy: -369.294
where: short stacking energy: -161.134
Base-Backbone interact. energy: -0.279
local terms energy: -179.569454
where:
bonds (distance) C4'-P energy: -31.643
bonds (distance) P-C4' energy: -33.593
flat angles C4'-P-C4' energy: -40.749
flat angles P-C4'-P energy: -24.254
tors. eta vs tors. theta energy: -49.331
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: 2
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -446.493538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.493538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.493538 (E_RNA)
where:
Base-Base interactions energy: -277.942
where: short stacking energy: -112.245
Base-Backbone interact. energy: 0.530
local terms energy: -169.081745
where:
bonds (distance) C4'-P energy: -42.530
bonds (distance) P-C4' energy: -28.230
flat angles C4'-P-C4' energy: -35.516
flat angles P-C4'-P energy: -29.906
tors. eta vs tors. theta energy: -32.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -346.179621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.179621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.179621 (E_RNA)
where:
Base-Base interactions energy: -190.398
where: short stacking energy: -101.772
Base-Backbone interact. energy: -0.472
local terms energy: -155.309669
where:
bonds (distance) C4'-P energy: -41.071
bonds (distance) P-C4' energy: -37.750
flat angles C4'-P-C4' energy: -27.550
flat angles P-C4'-P energy: -26.339
tors. eta vs tors. theta energy: -22.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -225.281082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.281082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.281082 (E_RNA)
where:
Base-Base interactions energy: -104.566
where: short stacking energy: -57.000
Base-Backbone interact. energy: -0.735
local terms energy: -119.980314
where:
bonds (distance) C4'-P energy: -29.072
bonds (distance) P-C4' energy: -38.285
flat angles C4'-P-C4' energy: -27.826
flat angles P-C4'-P energy: -22.666
tors. eta vs tors. theta energy: -2.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -191.104091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.104091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.104091 (E_RNA)
where:
Base-Base interactions energy: -60.545
where: short stacking energy: -41.729
Base-Backbone interact. energy: -1.231
local terms energy: -129.328331
where:
bonds (distance) C4'-P energy: -26.828
bonds (distance) P-C4' energy: -35.232
flat angles C4'-P-C4' energy: -39.877
flat angles P-C4'-P energy: -23.824
tors. eta vs tors. theta energy: -3.567
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: 8
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -163.693209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.693209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.693209 (E_RNA)
where:
Base-Base interactions energy: -55.406
where: short stacking energy: -50.000
Base-Backbone interact. energy: 0.273
local terms energy: -108.560301
where:
bonds (distance) C4'-P energy: -23.573
bonds (distance) P-C4' energy: -30.740
flat angles C4'-P-C4' energy: -32.962
flat angles P-C4'-P energy: -19.526
tors. eta vs tors. theta energy: -1.759
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: 9
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -682.762328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.762328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.762328 (E_RNA)
where:
Base-Base interactions energy: -466.311
where: short stacking energy: -194.685
Base-Backbone interact. energy: -0.787
local terms energy: -215.664264
where:
bonds (distance) C4'-P energy: -37.625
bonds (distance) P-C4' energy: -39.080
flat angles C4'-P-C4' energy: -45.748
flat angles P-C4'-P energy: -31.539
tors. eta vs tors. theta energy: -61.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -630.033610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.033610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.033610 (E_RNA)
where:
Base-Base interactions energy: -435.793
where: short stacking energy: -175.549
Base-Backbone interact. energy: -0.195
local terms energy: -194.046335
where:
bonds (distance) C4'-P energy: -37.030
bonds (distance) P-C4' energy: -40.581
flat angles C4'-P-C4' energy: -42.852
flat angles P-C4'-P energy: -18.838
tors. eta vs tors. theta energy: -54.746
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: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -615.618735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.618735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.618735 (E_RNA)
where:
Base-Base interactions energy: -403.341
where: short stacking energy: -190.436
Base-Backbone interact. energy: -0.717
local terms energy: -211.560870
where:
bonds (distance) C4'-P energy: -37.488
bonds (distance) P-C4' energy: -37.775
flat angles C4'-P-C4' energy: -44.368
flat angles P-C4'-P energy: -29.767
tors. eta vs tors. theta energy: -62.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -590.862699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.862699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.862699 (E_RNA)
where:
Base-Base interactions energy: -409.061
where: short stacking energy: -160.671
Base-Backbone interact. energy: -0.703
local terms energy: -181.098974
where:
bonds (distance) C4'-P energy: -34.374
bonds (distance) P-C4' energy: -38.170
flat angles C4'-P-C4' energy: -36.078
flat angles P-C4'-P energy: -31.397
tors. eta vs tors. theta energy: -41.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -535.926503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.926503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.926503 (E_RNA)
where:
Base-Base interactions energy: -351.782
where: short stacking energy: -155.000
Base-Backbone interact. energy: -1.558
local terms energy: -182.586698
where:
bonds (distance) C4'-P energy: -40.327
bonds (distance) P-C4' energy: -35.050
flat angles C4'-P-C4' energy: -38.993
flat angles P-C4'-P energy: -26.376
tors. eta vs tors. theta energy: -41.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -452.550487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.550487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.550487 (E_RNA)
where:
Base-Base interactions energy: -293.564
where: short stacking energy: -131.953
Base-Backbone interact. energy: -0.087
local terms energy: -158.899318
where:
bonds (distance) C4'-P energy: -32.835
bonds (distance) P-C4' energy: -36.867
flat angles C4'-P-C4' energy: -34.673
flat angles P-C4'-P energy: -20.072
tors. eta vs tors. theta energy: -34.453
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: 7, replica: 4
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -294.316519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.316519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.316519 (E_RNA)
where:
Base-Base interactions energy: -145.891
where: short stacking energy: -94.409
Base-Backbone interact. energy: -0.445
local terms energy: -147.980729
where:
bonds (distance) C4'-P energy: -35.641
bonds (distance) P-C4' energy: -39.859
flat angles C4'-P-C4' energy: -43.610
flat angles P-C4'-P energy: -18.055
tors. eta vs tors. theta energy: -10.816
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: 265
Temperature: 1.250000
Total energy: -179.087327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.087327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.087327 (E_RNA)
where:
Base-Base interactions energy: -53.423
where: short stacking energy: -51.649
Base-Backbone interact. energy: -0.514
local terms energy: -125.150250
where:
bonds (distance) C4'-P energy: -26.861
bonds (distance) P-C4' energy: -41.644
flat angles C4'-P-C4' energy: -34.445
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -9.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -246.952158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.952158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.952158 (E_RNA)
where:
Base-Base interactions energy: -131.825
where: short stacking energy: -61.408
Base-Backbone interact. energy: -0.008
local terms energy: -115.119342
where:
bonds (distance) C4'-P energy: -40.024
bonds (distance) P-C4' energy: -37.522
flat angles C4'-P-C4' energy: -25.977
flat angles P-C4'-P energy: -9.468
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: 8
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -165.736059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.736059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.736059 (E_RNA)
where:
Base-Base interactions energy: -48.441
where: short stacking energy: -44.476
Base-Backbone interact. energy: -0.308
local terms energy: -116.986247
where:
bonds (distance) C4'-P energy: -39.144
bonds (distance) P-C4' energy: -40.788
flat angles C4'-P-C4' energy: -25.251
flat angles P-C4'-P energy: -19.151
tors. eta vs tors. theta energy: 7.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -671.633115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.633115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.633115 (E_RNA)
where:
Base-Base interactions energy: -456.125
where: short stacking energy: -198.831
Base-Backbone interact. energy: -0.908
local terms energy: -214.600403
where:
bonds (distance) C4'-P energy: -37.279
bonds (distance) P-C4' energy: -41.346
flat angles C4'-P-C4' energy: -48.832
flat angles P-C4'-P energy: -25.371
tors. eta vs tors. theta energy: -61.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -620.668076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.668076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.668076 (E_RNA)
where:
Base-Base interactions energy: -421.223
where: short stacking energy: -181.705
Base-Backbone interact. energy: 0.600
local terms energy: -200.045708
where:
bonds (distance) C4'-P energy: -36.810
bonds (distance) P-C4' energy: -39.974
flat angles C4'-P-C4' energy: -43.319
flat angles P-C4'-P energy: -32.030
tors. eta vs tors. theta energy: -47.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -637.123005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.123005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.123005 (E_RNA)
where:
Base-Base interactions energy: -427.308
where: short stacking energy: -192.462
Base-Backbone interact. energy: -0.146
local terms energy: -209.668445
where:
bonds (distance) C4'-P energy: -41.226
bonds (distance) P-C4' energy: -37.391
flat angles C4'-P-C4' energy: -45.318
flat angles P-C4'-P energy: -28.113
tors. eta vs tors. theta energy: -57.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -589.440924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.440924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.440924 (E_RNA)
where:
Base-Base interactions energy: -394.112
where: short stacking energy: -169.487
Base-Backbone interact. energy: -1.420
local terms energy: -193.908888
where:
bonds (distance) C4'-P energy: -41.702
bonds (distance) P-C4' energy: -39.397
flat angles C4'-P-C4' energy: -40.023
flat angles P-C4'-P energy: -27.731
tors. eta vs tors. theta energy: -45.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -538.189044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.189044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.189044 (E_RNA)
where:
Base-Base interactions energy: -368.534
where: short stacking energy: -158.535
Base-Backbone interact. energy: -1.545
local terms energy: -168.110330
where:
bonds (distance) C4'-P energy: -31.912
bonds (distance) P-C4' energy: -37.964
flat angles C4'-P-C4' energy: -39.443
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -42.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -417.355695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.355695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.355695 (E_RNA)
where:
Base-Base interactions energy: -258.405
where: short stacking energy: -115.992
Base-Backbone interact. energy: -0.895
local terms energy: -158.056139
where:
bonds (distance) C4'-P energy: -29.163
bonds (distance) P-C4' energy: -37.204
flat angles C4'-P-C4' energy: -38.094
flat angles P-C4'-P energy: -24.170
tors. eta vs tors. theta energy: -29.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -292.048386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.048386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.048386 (E_RNA)
where:
Base-Base interactions energy: -157.543
where: short stacking energy: -90.147
Base-Backbone interact. energy: -0.623
local terms energy: -133.881516
where:
bonds (distance) C4'-P energy: -33.907
bonds (distance) P-C4' energy: -32.968
flat angles C4'-P-C4' energy: -35.938
flat angles P-C4'-P energy: -16.072
tors. eta vs tors. theta energy: -14.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -210.877166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.877166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.877166 (E_RNA)
where:
Base-Base interactions energy: -69.554
where: short stacking energy: -63.972
Base-Backbone interact. energy: -1.620
local terms energy: -139.703592
where:
bonds (distance) C4'-P energy: -33.744
bonds (distance) P-C4' energy: -43.758
flat angles C4'-P-C4' energy: -32.049
flat angles P-C4'-P energy: -25.166
tors. eta vs tors. theta energy: -4.987
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: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -241.917461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.917461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.917461 (E_RNA)
where:
Base-Base interactions energy: -112.856
where: short stacking energy: -56.617
Base-Backbone interact. energy: 0.193
local terms energy: -129.254294
where:
bonds (distance) C4'-P energy: -39.021
bonds (distance) P-C4' energy: -32.976
flat angles C4'-P-C4' energy: -30.807
flat angles P-C4'-P energy: -24.328
tors. eta vs tors. theta energy: -2.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -188.026149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.026149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.026149 (E_RNA)
where:
Base-Base interactions energy: -91.422
where: short stacking energy: -39.788
Base-Backbone interact. energy: -1.470
local terms energy: -95.134846
where:
bonds (distance) C4'-P energy: -32.632
bonds (distance) P-C4' energy: -39.024
flat angles C4'-P-C4' energy: -28.679
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: 12.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -679.428010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.428010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.428010 (E_RNA)
where:
Base-Base interactions energy: -454.407
where: short stacking energy: -195.316
Base-Backbone interact. energy: -0.410
local terms energy: -224.611650
where:
bonds (distance) C4'-P energy: -43.770
bonds (distance) P-C4' energy: -43.895
flat angles C4'-P-C4' energy: -45.458
flat angles P-C4'-P energy: -31.499
tors. eta vs tors. theta energy: -59.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -628.394504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.394504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.394504 (E_RNA)
where:
Base-Base interactions energy: -417.181
where: short stacking energy: -197.467
Base-Backbone interact. energy: -0.881
local terms energy: -210.332251
where:
bonds (distance) C4'-P energy: -32.809
bonds (distance) P-C4' energy: -43.105
flat angles C4'-P-C4' energy: -46.194
flat angles P-C4'-P energy: -32.024
tors. eta vs tors. theta energy: -56.201
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: 267
Temperature: 1.000000
Total energy: -614.825925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.825925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.825925 (E_RNA)
where:
Base-Base interactions energy: -412.152
where: short stacking energy: -174.704
Base-Backbone interact. energy: 0.085
local terms energy: -202.758792
where:
bonds (distance) C4'-P energy: -42.272
bonds (distance) P-C4' energy: -26.695
flat angles C4'-P-C4' energy: -46.047
flat angles P-C4'-P energy: -32.836
tors. eta vs tors. theta energy: -54.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -576.915190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.915190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.915190 (E_RNA)
where:
Base-Base interactions energy: -401.344
where: short stacking energy: -167.823
Base-Backbone interact. energy: -2.467
local terms energy: -173.104759
where:
bonds (distance) C4'-P energy: -27.759
bonds (distance) P-C4' energy: -30.976
flat angles C4'-P-C4' energy: -38.315
flat angles P-C4'-P energy: -25.447
tors. eta vs tors. theta energy: -50.607
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: 267
Temperature: 1.100000
Total energy: -536.306353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.306353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.306353 (E_RNA)
where:
Base-Base interactions energy: -353.700
where: short stacking energy: -154.067
Base-Backbone interact. energy: -0.231
local terms energy: -182.375424
where:
bonds (distance) C4'-P energy: -28.043
bonds (distance) P-C4' energy: -38.703
flat angles C4'-P-C4' energy: -45.558
flat angles P-C4'-P energy: -28.294
tors. eta vs tors. theta energy: -41.778
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: 2
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -424.101396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.101396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.101396 (E_RNA)
where:
Base-Base interactions energy: -258.096
where: short stacking energy: -126.419
Base-Backbone interact. energy: 0.882
local terms energy: -166.887018
where:
bonds (distance) C4'-P energy: -32.483
bonds (distance) P-C4' energy: -36.553
flat angles C4'-P-C4' energy: -37.842
flat angles P-C4'-P energy: -31.894
tors. eta vs tors. theta energy: -28.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -290.825346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.825346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.825346 (E_RNA)
where:
Base-Base interactions energy: -162.553
where: short stacking energy: -82.448
Base-Backbone interact. energy: 0.362
local terms energy: -128.634075
where:
bonds (distance) C4'-P energy: -25.710
bonds (distance) P-C4' energy: -39.694
flat angles C4'-P-C4' energy: -26.331
flat angles P-C4'-P energy: -23.262
tors. eta vs tors. theta energy: -13.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -246.847674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.847674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.847674 (E_RNA)
where:
Base-Base interactions energy: -124.799
where: short stacking energy: -72.867
Base-Backbone interact. energy: -0.850
local terms energy: -121.199505
where:
bonds (distance) C4'-P energy: -33.741
bonds (distance) P-C4' energy: -33.285
flat angles C4'-P-C4' energy: -32.211
flat angles P-C4'-P energy: -21.378
tors. eta vs tors. theta energy: -0.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -180.431470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.431470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.431470 (E_RNA)
where:
Base-Base interactions energy: -51.913
where: short stacking energy: -48.928
Base-Backbone interact. energy: -2.017
local terms energy: -126.501551
where:
bonds (distance) C4'-P energy: -38.600
bonds (distance) P-C4' energy: -33.438
flat angles C4'-P-C4' energy: -40.812
flat angles P-C4'-P energy: -20.190
tors. eta vs tors. theta energy: 6.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -206.026839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.026839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.026839 (E_RNA)
where:
Base-Base interactions energy: -97.242
where: short stacking energy: -45.247
Base-Backbone interact. energy: -1.558
local terms energy: -107.226306
where:
bonds (distance) C4'-P energy: -32.751
bonds (distance) P-C4' energy: -31.682
flat angles C4'-P-C4' energy: -25.858
flat angles P-C4'-P energy: -21.373
tors. eta vs tors. theta energy: 4.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -682.007436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.007436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.007436 (E_RNA)
where:
Base-Base interactions energy: -459.202
where: short stacking energy: -197.614
Base-Backbone interact. energy: -0.191
local terms energy: -222.614657
where:
bonds (distance) C4'-P energy: -38.507
bonds (distance) P-C4' energy: -43.268
flat angles C4'-P-C4' energy: -46.908
flat angles P-C4'-P energy: -29.262
tors. eta vs tors. theta energy: -64.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -626.917166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.917166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.917166 (E_RNA)
where:
Base-Base interactions energy: -413.229
where: short stacking energy: -192.263
Base-Backbone interact. energy: -1.686
local terms energy: -212.002122
where:
bonds (distance) C4'-P energy: -39.168
bonds (distance) P-C4' energy: -45.022
flat angles C4'-P-C4' energy: -50.645
flat angles P-C4'-P energy: -25.227
tors. eta vs tors. theta energy: -51.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -616.074585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.074585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.074585 (E_RNA)
where:
Base-Base interactions energy: -406.722
where: short stacking energy: -173.942
Base-Backbone interact. energy: -0.456
local terms energy: -208.896058
where:
bonds (distance) C4'-P energy: -39.901
bonds (distance) P-C4' energy: -38.249
flat angles C4'-P-C4' energy: -44.785
flat angles P-C4'-P energy: -28.287
tors. eta vs tors. theta energy: -57.674
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: 1
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -614.783844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.783844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.783844 (E_RNA)
where:
Base-Base interactions energy: -414.220
where: short stacking energy: -172.814
Base-Backbone interact. energy: -1.264
local terms energy: -199.299827
where:
bonds (distance) C4'-P energy: -35.823
bonds (distance) P-C4' energy: -40.977
flat angles C4'-P-C4' energy: -40.705
flat angles P-C4'-P energy: -30.174
tors. eta vs tors. theta energy: -51.621
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: 5, replica: 5
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -546.717289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.717289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.717289 (E_RNA)
where:
Base-Base interactions energy: -371.741
where: short stacking energy: -151.720
Base-Backbone interact. energy: -0.767
local terms energy: -174.210111
where:
bonds (distance) C4'-P energy: -32.229
bonds (distance) P-C4' energy: -26.047
flat angles C4'-P-C4' energy: -44.690
flat angles P-C4'-P energy: -19.269
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: 268
Temperature: 1.150000
Total energy: -436.363923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.363923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.363923 (E_RNA)
where:
Base-Base interactions energy: -281.934
where: short stacking energy: -137.794
Base-Backbone interact. energy: -0.585
local terms energy: -153.844465
where:
bonds (distance) C4'-P energy: -36.802
bonds (distance) P-C4' energy: -34.623
flat angles C4'-P-C4' energy: -29.465
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -39.219
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: 4
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -298.262527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.262527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.262527 (E_RNA)
where:
Base-Base interactions energy: -165.748
where: short stacking energy: -83.189
Base-Backbone interact. energy: -0.461
local terms energy: -132.054216
where:
bonds (distance) C4'-P energy: -25.803
bonds (distance) P-C4' energy: -39.237
flat angles C4'-P-C4' energy: -34.255
flat angles P-C4'-P energy: -17.502
tors. eta vs tors. theta energy: -15.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -254.649794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.649794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.649794 (E_RNA)
where:
Base-Base interactions energy: -135.862
where: short stacking energy: -69.473
Base-Backbone interact. energy: -2.167
local terms energy: -116.620649
where:
bonds (distance) C4'-P energy: -27.099
bonds (distance) P-C4' energy: -34.284
flat angles C4'-P-C4' energy: -25.488
flat angles P-C4'-P energy: -26.868
tors. eta vs tors. theta energy: -2.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -236.763550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.763550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.763550 (E_RNA)
where:
Base-Base interactions energy: -120.791
where: short stacking energy: -64.099
Base-Backbone interact. energy: -0.014
local terms energy: -115.957878
where:
bonds (distance) C4'-P energy: -29.663
bonds (distance) P-C4' energy: -38.558
flat angles C4'-P-C4' energy: -33.748
flat angles P-C4'-P energy: -15.078
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: 10, replica: 10
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -210.063692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.063692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.063692 (E_RNA)
where:
Base-Base interactions energy: -121.811
where: short stacking energy: -68.646
Base-Backbone interact. energy: 1.913
local terms energy: -90.165399
where:
bonds (distance) C4'-P energy: -26.534
bonds (distance) P-C4' energy: -27.750
flat angles C4'-P-C4' energy: -23.675
flat angles P-C4'-P energy: -5.762
tors. eta vs tors. theta energy: -6.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -675.486557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.486557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.486557 (E_RNA)
where:
Base-Base interactions energy: -453.349
where: short stacking energy: -198.244
Base-Backbone interact. energy: -0.719
local terms energy: -221.418191
where:
bonds (distance) C4'-P energy: -33.180
bonds (distance) P-C4' energy: -38.277
flat angles C4'-P-C4' energy: -49.812
flat angles P-C4'-P energy: -33.100
tors. eta vs tors. theta energy: -67.049
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: 7
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -612.015401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.015401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.015401 (E_RNA)
where:
Base-Base interactions energy: -398.870
where: short stacking energy: -192.118
Base-Backbone interact. energy: -0.915
local terms energy: -212.230251
where:
bonds (distance) C4'-P energy: -34.620
bonds (distance) P-C4' energy: -45.077
flat angles C4'-P-C4' energy: -43.599
flat angles P-C4'-P energy: -33.466
tors. eta vs tors. theta energy: -55.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -598.545369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.545369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.545369 (E_RNA)
where:
Base-Base interactions energy: -400.699
where: short stacking energy: -162.577
Base-Backbone interact. energy: 0.479
local terms energy: -198.325807
where:
bonds (distance) C4'-P energy: -42.013
bonds (distance) P-C4' energy: -40.404
flat angles C4'-P-C4' energy: -41.956
flat angles P-C4'-P energy: -24.666
tors. eta vs tors. theta energy: -49.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -565.237408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.237408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.237408 (E_RNA)
where:
Base-Base interactions energy: -390.819
where: short stacking energy: -165.574
Base-Backbone interact. energy: -1.031
local terms energy: -173.387355
where:
bonds (distance) C4'-P energy: -28.297
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -48.273
flat angles P-C4'-P energy: -32.492
tors. eta vs tors. theta energy: -47.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -559.117619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.117619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.117619 (E_RNA)
where:
Base-Base interactions energy: -380.156
where: short stacking energy: -151.996
Base-Backbone interact. energy: -0.335
local terms energy: -178.626068
where:
bonds (distance) C4'-P energy: -31.715
bonds (distance) P-C4' energy: -38.628
flat angles C4'-P-C4' energy: -38.410
flat angles P-C4'-P energy: -20.645
tors. eta vs tors. theta energy: -49.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -444.857768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.857768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.857768 (E_RNA)
where:
Base-Base interactions energy: -269.093
where: short stacking energy: -131.341
Base-Backbone interact. energy: 1.659
local terms energy: -177.423270
where:
bonds (distance) C4'-P energy: -41.268
bonds (distance) P-C4' energy: -34.217
flat angles C4'-P-C4' energy: -39.555
flat angles P-C4'-P energy: -24.556
tors. eta vs tors. theta energy: -37.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -295.334666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.334666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.334666 (E_RNA)
where:
Base-Base interactions energy: -174.179
where: short stacking energy: -72.238
Base-Backbone interact. energy: -1.097
local terms energy: -120.058519
where:
bonds (distance) C4'-P energy: -27.412
bonds (distance) P-C4' energy: -37.182
flat angles C4'-P-C4' energy: -22.709
flat angles P-C4'-P energy: -16.871
tors. eta vs tors. theta energy: -15.884
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: 8, replica: 6
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -272.100594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.100594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.100594 (E_RNA)
where:
Base-Base interactions energy: -144.043
where: short stacking energy: -78.751
Base-Backbone interact. energy: -0.428
local terms energy: -127.630432
where:
bonds (distance) C4'-P energy: -28.303
bonds (distance) P-C4' energy: -41.664
flat angles C4'-P-C4' energy: -29.346
flat angles P-C4'-P energy: -20.340
tors. eta vs tors. theta energy: -7.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -233.694026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.694026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.694026 (E_RNA)
where:
Base-Base interactions energy: -110.762
where: short stacking energy: -64.107
Base-Backbone interact. energy: 4.002
local terms energy: -126.933991
where:
bonds (distance) C4'-P energy: -29.756
bonds (distance) P-C4' energy: -39.569
flat angles C4'-P-C4' energy: -30.021
flat angles P-C4'-P energy: -21.905
tors. eta vs tors. theta energy: -5.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -162.900744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.900744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.900744 (E_RNA)
where:
Base-Base interactions energy: -54.827
where: short stacking energy: -45.709
Base-Backbone interact. energy: 0.019
local terms energy: -108.093230
where:
bonds (distance) C4'-P energy: -21.648
bonds (distance) P-C4' energy: -35.116
flat angles C4'-P-C4' energy: -29.521
flat angles P-C4'-P energy: -18.315
tors. eta vs tors. theta energy: -3.493
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: 9
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -675.551930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.551930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.551930 (E_RNA)
where:
Base-Base interactions energy: -459.092
where: short stacking energy: -203.802
Base-Backbone interact. energy: -0.544
local terms energy: -215.916146
where:
bonds (distance) C4'-P energy: -38.000
bonds (distance) P-C4' energy: -40.601
flat angles C4'-P-C4' energy: -45.742
flat angles P-C4'-P energy: -26.241
tors. eta vs tors. theta energy: -65.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -604.444419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.444419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.444419 (E_RNA)
where:
Base-Base interactions energy: -389.856
where: short stacking energy: -181.001
Base-Backbone interact. energy: -0.272
local terms energy: -214.317189
where:
bonds (distance) C4'-P energy: -43.756
bonds (distance) P-C4' energy: -40.075
flat angles C4'-P-C4' energy: -43.961
flat angles P-C4'-P energy: -29.741
tors. eta vs tors. theta energy: -56.784
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: 3
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -603.127266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.127266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.127266 (E_RNA)
where:
Base-Base interactions energy: -394.103
where: short stacking energy: -172.457
Base-Backbone interact. energy: -0.450
local terms energy: -208.574117
where:
bonds (distance) C4'-P energy: -37.666
bonds (distance) P-C4' energy: -43.199
flat angles C4'-P-C4' energy: -39.776
flat angles P-C4'-P energy: -33.355
tors. eta vs tors. theta energy: -54.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -567.406802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.406802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.406802 (E_RNA)
where:
Base-Base interactions energy: -391.428
where: short stacking energy: -178.448
Base-Backbone interact. energy: -0.254
local terms energy: -175.724772
where:
bonds (distance) C4'-P energy: -33.721
bonds (distance) P-C4' energy: -33.769
flat angles C4'-P-C4' energy: -40.107
flat angles P-C4'-P energy: -22.327
tors. eta vs tors. theta energy: -45.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -581.867372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.867372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.867372 (E_RNA)
where:
Base-Base interactions energy: -387.419
where: short stacking energy: -163.463
Base-Backbone interact. energy: -0.581
local terms energy: -193.867356
where:
bonds (distance) C4'-P energy: -40.398
bonds (distance) P-C4' energy: -40.650
flat angles C4'-P-C4' energy: -41.408
flat angles P-C4'-P energy: -29.259
tors. eta vs tors. theta energy: -42.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -464.740147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.740147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.740147 (E_RNA)
where:
Base-Base interactions energy: -291.161
where: short stacking energy: -137.848
Base-Backbone interact. energy: -0.171
local terms energy: -173.407981
where:
bonds (distance) C4'-P energy: -40.549
bonds (distance) P-C4' energy: -36.517
flat angles C4'-P-C4' energy: -33.372
flat angles P-C4'-P energy: -22.698
tors. eta vs tors. theta energy: -40.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -321.910853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.910853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.910853 (E_RNA)
where:
Base-Base interactions energy: -182.274
where: short stacking energy: -94.892
Base-Backbone interact. energy: -0.557
local terms energy: -139.079667
where:
bonds (distance) C4'-P energy: -34.387
bonds (distance) P-C4' energy: -40.585
flat angles C4'-P-C4' energy: -33.862
flat angles P-C4'-P energy: -19.257
tors. eta vs tors. theta energy: -10.989
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: 6
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -261.126632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.126632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.126632 (E_RNA)
where:
Base-Base interactions energy: -138.587
where: short stacking energy: -69.728
Base-Backbone interact. energy: -0.363
local terms energy: -122.176794
where:
bonds (distance) C4'-P energy: -29.099
bonds (distance) P-C4' energy: -34.338
flat angles C4'-P-C4' energy: -36.176
flat angles P-C4'-P energy: -19.514
tors. eta vs tors. theta energy: -3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -241.524816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.524816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.524816 (E_RNA)
where:
Base-Base interactions energy: -110.914
where: short stacking energy: -70.254
Base-Backbone interact. energy: 0.112
local terms energy: -130.723283
where:
bonds (distance) C4'-P energy: -34.809
bonds (distance) P-C4' energy: -34.767
flat angles C4'-P-C4' energy: -36.962
flat angles P-C4'-P energy: -20.295
tors. eta vs tors. theta energy: -3.891
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: 10, replica: 10
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -160.393627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.393627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.393627 (E_RNA)
where:
Base-Base interactions energy: -43.429
where: short stacking energy: -41.327
Base-Backbone interact. energy: 0.372
local terms energy: -117.336527
where:
bonds (distance) C4'-P energy: -35.830
bonds (distance) P-C4' energy: -35.355
flat angles C4'-P-C4' energy: -25.382
flat angles P-C4'-P energy: -20.996
tors. eta vs tors. theta energy: 0.226
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: 9
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -692.466926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.466926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.466926 (E_RNA)
where:
Base-Base interactions energy: -470.005
where: short stacking energy: -186.544
Base-Backbone interact. energy: -1.020
local terms energy: -221.441522
where:
bonds (distance) C4'-P energy: -45.443
bonds (distance) P-C4' energy: -45.237
flat angles C4'-P-C4' energy: -37.336
flat angles P-C4'-P energy: -34.107
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: 7
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -615.832445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.832445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.832445 (E_RNA)
where:
Base-Base interactions energy: -398.132
where: short stacking energy: -185.518
Base-Backbone interact. energy: -1.216
local terms energy: -216.484787
where:
bonds (distance) C4'-P energy: -42.691
bonds (distance) P-C4' energy: -36.098
flat angles C4'-P-C4' energy: -49.602
flat angles P-C4'-P energy: -25.917
tors. eta vs tors. theta energy: -62.176
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: 3
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -618.571291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.571291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.571291 (E_RNA)
where:
Base-Base interactions energy: -419.176
where: short stacking energy: -167.521
Base-Backbone interact. energy: -1.151
local terms energy: -198.243737
where:
bonds (distance) C4'-P energy: -30.702
bonds (distance) P-C4' energy: -43.110
flat angles C4'-P-C4' energy: -43.346
flat angles P-C4'-P energy: -25.410
tors. eta vs tors. theta energy: -55.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -563.549662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.549662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.549662 (E_RNA)
where:
Base-Base interactions energy: -387.276
where: short stacking energy: -172.759
Base-Backbone interact. energy: -0.282
local terms energy: -175.991778
where:
bonds (distance) C4'-P energy: -32.445
bonds (distance) P-C4' energy: -34.753
flat angles C4'-P-C4' energy: -38.889
flat angles P-C4'-P energy: -22.908
tors. eta vs tors. theta energy: -46.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -556.686648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.686648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.686648 (E_RNA)
where:
Base-Base interactions energy: -375.415
where: short stacking energy: -155.852
Base-Backbone interact. energy: -2.042
local terms energy: -179.229567
where:
bonds (distance) C4'-P energy: -37.090
bonds (distance) P-C4' energy: -33.466
flat angles C4'-P-C4' energy: -41.879
flat angles P-C4'-P energy: -21.391
tors. eta vs tors. theta energy: -45.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -489.083771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.083771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.083771 (E_RNA)
where:
Base-Base interactions energy: -311.892
where: short stacking energy: -136.255
Base-Backbone interact. energy: -0.543
local terms energy: -176.648663
where:
bonds (distance) C4'-P energy: -36.755
bonds (distance) P-C4' energy: -34.768
flat angles C4'-P-C4' energy: -35.598
flat angles P-C4'-P energy: -25.704
tors. eta vs tors. theta energy: -43.824
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: 7, replica: 4
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -324.355073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.355073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.355073 (E_RNA)
where:
Base-Base interactions energy: -180.071
where: short stacking energy: -101.913
Base-Backbone interact. energy: 0.109
local terms energy: -144.393746
where:
bonds (distance) C4'-P energy: -35.372
bonds (distance) P-C4' energy: -37.855
flat angles C4'-P-C4' energy: -40.955
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -19.692
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: 6
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -248.737273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.737273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.737273 (E_RNA)
where:
Base-Base interactions energy: -121.949
where: short stacking energy: -55.432
Base-Backbone interact. energy: 1.404
local terms energy: -128.192065
where:
bonds (distance) C4'-P energy: -42.671
bonds (distance) P-C4' energy: -35.104
flat angles C4'-P-C4' energy: -30.937
flat angles P-C4'-P energy: -19.936
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: 9, replica: 8
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -206.817134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.817134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.817134 (E_RNA)
where:
Base-Base interactions energy: -84.967
where: short stacking energy: -52.419
Base-Backbone interact. energy: -0.197
local terms energy: -121.653111
where:
bonds (distance) C4'-P energy: -40.724
bonds (distance) P-C4' energy: -35.429
flat angles C4'-P-C4' energy: -19.509
flat angles P-C4'-P energy: -30.379
tors. eta vs tors. theta energy: 4.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -171.180389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.180389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.180389 (E_RNA)
where:
Base-Base interactions energy: -62.686
where: short stacking energy: -55.122
Base-Backbone interact. energy: 0.059
local terms energy: -108.552937
where:
bonds (distance) C4'-P energy: -23.628
bonds (distance) P-C4' energy: -35.527
flat angles C4'-P-C4' energy: -30.802
flat angles P-C4'-P energy: -19.672
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: 9
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -667.995811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.995811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.995811 (E_RNA)
where:
Base-Base interactions energy: -444.990
where: short stacking energy: -194.522
Base-Backbone interact. energy: -0.404
local terms energy: -222.601830
where:
bonds (distance) C4'-P energy: -40.039
bonds (distance) P-C4' energy: -37.300
flat angles C4'-P-C4' energy: -45.434
flat angles P-C4'-P energy: -36.161
tors. eta vs tors. theta energy: -63.668
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: 2, replica: 7
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -611.756126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.756126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.756126 (E_RNA)
where:
Base-Base interactions energy: -398.246
where: short stacking energy: -183.210
Base-Backbone interact. energy: -0.674
local terms energy: -212.836419
where:
bonds (distance) C4'-P energy: -35.497
bonds (distance) P-C4' energy: -39.866
flat angles C4'-P-C4' energy: -47.212
flat angles P-C4'-P energy: -32.568
tors. eta vs tors. theta energy: -57.693
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: 3
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -609.762209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.762209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.762209 (E_RNA)
where:
Base-Base interactions energy: -400.526
where: short stacking energy: -168.715
Base-Backbone interact. energy: -0.117
local terms energy: -209.118618
where:
bonds (distance) C4'-P energy: -39.522
bonds (distance) P-C4' energy: -47.832
flat angles C4'-P-C4' energy: -44.952
flat angles P-C4'-P energy: -25.712
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: 4, replica: 5
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -555.728273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.728273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.728273 (E_RNA)
where:
Base-Base interactions energy: -370.773
where: short stacking energy: -165.645
Base-Backbone interact. energy: -1.058
local terms energy: -183.897278
where:
bonds (distance) C4'-P energy: -45.306
bonds (distance) P-C4' energy: -35.483
flat angles C4'-P-C4' energy: -33.958
flat angles P-C4'-P energy: -21.111
tors. eta vs tors. theta energy: -48.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -550.741036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.741036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.741036 (E_RNA)
where:
Base-Base interactions energy: -351.722
where: short stacking energy: -172.813
Base-Backbone interact. energy: 0.883
local terms energy: -199.902149
where:
bonds (distance) C4'-P energy: -34.394
bonds (distance) P-C4' energy: -42.291
flat angles C4'-P-C4' energy: -42.011
flat angles P-C4'-P energy: -34.281
tors. eta vs tors. theta energy: -46.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -550.882970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.882970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.882970 (E_RNA)
where:
Base-Base interactions energy: -375.965
where: short stacking energy: -152.923
Base-Backbone interact. energy: -0.291
local terms energy: -174.627080
where:
bonds (distance) C4'-P energy: -30.956
bonds (distance) P-C4' energy: -33.916
flat angles C4'-P-C4' energy: -32.048
flat angles P-C4'-P energy: -27.165
tors. eta vs tors. theta energy: -50.543
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: 4
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -289.414529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.414529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.414529 (E_RNA)
where:
Base-Base interactions energy: -151.748
where: short stacking energy: -80.008
Base-Backbone interact. energy: -0.602
local terms energy: -137.064023
where:
bonds (distance) C4'-P energy: -36.979
bonds (distance) P-C4' energy: -45.621
flat angles C4'-P-C4' energy: -25.907
flat angles P-C4'-P energy: -14.989
tors. eta vs tors. theta energy: -13.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -258.296584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.296584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.296584 (E_RNA)
where:
Base-Base interactions energy: -128.039
where: short stacking energy: -79.422
Base-Backbone interact. energy: 3.127
local terms energy: -133.384817
where:
bonds (distance) C4'-P energy: -32.650
bonds (distance) P-C4' energy: -45.249
flat angles C4'-P-C4' energy: -28.255
flat angles P-C4'-P energy: -22.232
tors. eta vs tors. theta energy: -4.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -193.002075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.002075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.002075 (E_RNA)
where:
Base-Base interactions energy: -64.192
where: short stacking energy: -60.912
Base-Backbone interact. energy: 0.532
local terms energy: -129.341725
where:
bonds (distance) C4'-P energy: -40.722
bonds (distance) P-C4' energy: -39.037
flat angles C4'-P-C4' energy: -28.943
flat angles P-C4'-P energy: -19.973
tors. eta vs tors. theta energy: -0.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -174.567062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.567062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.567062 (E_RNA)
where:
Base-Base interactions energy: -59.365
where: short stacking energy: -56.565
Base-Backbone interact. energy: -0.611
local terms energy: -114.590714
where:
bonds (distance) C4'-P energy: -43.076
bonds (distance) P-C4' energy: -36.231
flat angles C4'-P-C4' energy: -31.270
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: 2.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -680.822031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.822031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.822031 (E_RNA)
where:
Base-Base interactions energy: -452.496
where: short stacking energy: -190.435
Base-Backbone interact. energy: 1.423
local terms energy: -229.748786
where:
bonds (distance) C4'-P energy: -41.950
bonds (distance) P-C4' energy: -38.905
flat angles C4'-P-C4' energy: -45.486
flat angles P-C4'-P energy: -36.374
tors. eta vs tors. theta energy: -67.035
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: 7
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -622.400114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.400114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.400114 (E_RNA)
where:
Base-Base interactions energy: -413.056
where: short stacking energy: -207.681
Base-Backbone interact. energy: 0.491
local terms energy: -209.835107
where:
bonds (distance) C4'-P energy: -33.362
bonds (distance) P-C4' energy: -32.074
flat angles C4'-P-C4' energy: -42.776
flat angles P-C4'-P energy: -32.644
tors. eta vs tors. theta energy: -68.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -590.746061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.746061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.746061 (E_RNA)
where:
Base-Base interactions energy: -389.578
where: short stacking energy: -161.696
Base-Backbone interact. energy: -0.928
local terms energy: -200.240052
where:
bonds (distance) C4'-P energy: -39.107
bonds (distance) P-C4' energy: -33.593
flat angles C4'-P-C4' energy: -47.731
flat angles P-C4'-P energy: -29.954
tors. eta vs tors. theta energy: -49.856
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: 2
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -562.630695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.630695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.630695 (E_RNA)
where:
Base-Base interactions energy: -367.018
where: short stacking energy: -170.828
Base-Backbone interact. energy: -0.456
local terms energy: -195.157222
where:
bonds (distance) C4'-P energy: -31.036
bonds (distance) P-C4' energy: -40.211
flat angles C4'-P-C4' energy: -43.923
flat angles P-C4'-P energy: -29.256
tors. eta vs tors. theta energy: -50.732
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: 273
Temperature: 1.100000
Total energy: -556.111548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.111548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.111548 (E_RNA)
where:
Base-Base interactions energy: -383.576
where: short stacking energy: -157.643
Base-Backbone interact. energy: -0.950
local terms energy: -171.585750
where:
bonds (distance) C4'-P energy: -36.533
bonds (distance) P-C4' energy: -36.894
flat angles C4'-P-C4' energy: -36.021
flat angles P-C4'-P energy: -26.313
tors. eta vs tors. theta energy: -35.825
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: 1
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -560.501423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.501423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.501423 (E_RNA)
where:
Base-Base interactions energy: -395.869
where: short stacking energy: -166.241
Base-Backbone interact. energy: 0.377
local terms energy: -165.009652
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -38.987
flat angles C4'-P-C4' energy: -36.144
flat angles P-C4'-P energy: -29.276
tors. eta vs tors. theta energy: -44.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -302.403440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.403440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.403440 (E_RNA)
where:
Base-Base interactions energy: -158.301
where: short stacking energy: -80.617
Base-Backbone interact. energy: -0.932
local terms energy: -143.170813
where:
bonds (distance) C4'-P energy: -37.742
bonds (distance) P-C4' energy: -30.393
flat angles C4'-P-C4' energy: -35.522
flat angles P-C4'-P energy: -23.426
tors. eta vs tors. theta energy: -16.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -243.165036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.165036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.165036 (E_RNA)
where:
Base-Base interactions energy: -111.004
where: short stacking energy: -69.321
Base-Backbone interact. energy: 0.350
local terms energy: -132.511219
where:
bonds (distance) C4'-P energy: -33.299
bonds (distance) P-C4' energy: -35.377
flat angles C4'-P-C4' energy: -33.628
flat angles P-C4'-P energy: -20.634
tors. eta vs tors. theta energy: -9.574
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: 273
Temperature: 1.300000
Total energy: -177.241103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.241103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.241103 (E_RNA)
where:
Base-Base interactions energy: -56.593
where: short stacking energy: -40.505
Base-Backbone interact. energy: -1.165
local terms energy: -119.482962
where:
bonds (distance) C4'-P energy: -36.808
bonds (distance) P-C4' energy: -39.118
flat angles C4'-P-C4' energy: -34.310
flat angles P-C4'-P energy: -16.391
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: 8
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -177.398582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.398582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.398582 (E_RNA)
where:
Base-Base interactions energy: -61.292
where: short stacking energy: -51.965
Base-Backbone interact. energy: -2.541
local terms energy: -113.565516
where:
bonds (distance) C4'-P energy: -35.456
bonds (distance) P-C4' energy: -33.001
flat angles C4'-P-C4' energy: -31.562
flat angles P-C4'-P energy: -14.328
tors. eta vs tors. theta energy: 0.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -679.075906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.075906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.075906 (E_RNA)
where:
Base-Base interactions energy: -459.848
where: short stacking energy: -195.791
Base-Backbone interact. energy: -0.169
local terms energy: -219.058727
where:
bonds (distance) C4'-P energy: -42.437
bonds (distance) P-C4' energy: -35.380
flat angles C4'-P-C4' energy: -44.963
flat angles P-C4'-P energy: -35.711
tors. eta vs tors. theta energy: -60.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -619.320012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.320012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.320012 (E_RNA)
where:
Base-Base interactions energy: -406.483
where: short stacking energy: -191.869
Base-Backbone interact. energy: -0.145
local terms energy: -212.692449
where:
bonds (distance) C4'-P energy: -32.496
bonds (distance) P-C4' energy: -42.557
flat angles C4'-P-C4' energy: -48.392
flat angles P-C4'-P energy: -33.692
tors. eta vs tors. theta energy: -55.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -602.488417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.488417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.488417 (E_RNA)
where:
Base-Base interactions energy: -396.693
where: short stacking energy: -166.245
Base-Backbone interact. energy: -0.283
local terms energy: -205.512117
where:
bonds (distance) C4'-P energy: -43.865
bonds (distance) P-C4' energy: -42.339
flat angles C4'-P-C4' energy: -38.455
flat angles P-C4'-P energy: -25.364
tors. eta vs tors. theta energy: -55.490
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: 2
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -570.950500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.950500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.950500 (E_RNA)
where:
Base-Base interactions energy: -379.794
where: short stacking energy: -182.682
Base-Backbone interact. energy: -0.620
local terms energy: -190.536866
where:
bonds (distance) C4'-P energy: -27.158
bonds (distance) P-C4' energy: -38.868
flat angles C4'-P-C4' energy: -41.125
flat angles P-C4'-P energy: -28.527
tors. eta vs tors. theta energy: -54.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -574.304914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.304914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.304914 (E_RNA)
where:
Base-Base interactions energy: -396.426
where: short stacking energy: -165.970
Base-Backbone interact. energy: -1.955
local terms energy: -175.923913
where:
bonds (distance) C4'-P energy: -38.446
bonds (distance) P-C4' energy: -32.529
flat angles C4'-P-C4' energy: -41.471
flat angles P-C4'-P energy: -20.281
tors. eta vs tors. theta energy: -43.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -516.119263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.119263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.119263 (E_RNA)
where:
Base-Base interactions energy: -357.379
where: short stacking energy: -127.435
Base-Backbone interact. energy: -0.542
local terms energy: -158.198403
where:
bonds (distance) C4'-P energy: -38.889
bonds (distance) P-C4' energy: -31.990
flat angles C4'-P-C4' energy: -30.682
flat angles P-C4'-P energy: -19.385
tors. eta vs tors. theta energy: -37.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -323.678702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.678702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.678702 (E_RNA)
where:
Base-Base interactions energy: -193.927
where: short stacking energy: -91.374
Base-Backbone interact. energy: 0.914
local terms energy: -130.665967
where:
bonds (distance) C4'-P energy: -27.982
bonds (distance) P-C4' energy: -35.710
flat angles C4'-P-C4' energy: -32.821
flat angles P-C4'-P energy: -24.073
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: 8, replica: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -259.947022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.947022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.947022 (E_RNA)
where:
Base-Base interactions energy: -122.538
where: short stacking energy: -64.670
Base-Backbone interact. energy: -0.573
local terms energy: -136.835305
where:
bonds (distance) C4'-P energy: -29.999
bonds (distance) P-C4' energy: -38.045
flat angles C4'-P-C4' energy: -39.951
flat angles P-C4'-P energy: -24.835
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: 9, replica: 8
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -169.838848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.838848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.838848 (E_RNA)
where:
Base-Base interactions energy: -67.962
where: short stacking energy: -55.134
Base-Backbone interact. energy: -0.660
local terms energy: -101.217482
where:
bonds (distance) C4'-P energy: -28.614
bonds (distance) P-C4' energy: -29.942
flat angles C4'-P-C4' energy: -26.522
flat angles P-C4'-P energy: -16.385
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: 274
Temperature: 1.350000
Total energy: -168.962744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.962744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.962744 (E_RNA)
where:
Base-Base interactions energy: -62.608
where: short stacking energy: -58.078
Base-Backbone interact. energy: -0.989
local terms energy: -105.365579
where:
bonds (distance) C4'-P energy: -35.898
bonds (distance) P-C4' energy: -34.742
flat angles C4'-P-C4' energy: -29.217
flat angles P-C4'-P energy: 1.738
tors. eta vs tors. theta energy: -7.246
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: 1, replica: 9
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -689.678492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.678492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.678492 (E_RNA)
where:
Base-Base interactions energy: -470.187
where: short stacking energy: -198.316
Base-Backbone interact. energy: 0.940
local terms energy: -220.431372
where:
bonds (distance) C4'-P energy: -35.676
bonds (distance) P-C4' energy: -47.674
flat angles C4'-P-C4' energy: -46.468
flat angles P-C4'-P energy: -29.611
tors. eta vs tors. theta energy: -61.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -623.287763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.287763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.287763 (E_RNA)
where:
Base-Base interactions energy: -418.621
where: short stacking energy: -166.583
Base-Backbone interact. energy: -0.189
local terms energy: -204.477689
where:
bonds (distance) C4'-P energy: -37.315
bonds (distance) P-C4' energy: -40.722
flat angles C4'-P-C4' energy: -42.887
flat angles P-C4'-P energy: -28.936
tors. eta vs tors. theta energy: -54.617
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: 7
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -607.541704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.541704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.541704 (E_RNA)
where:
Base-Base interactions energy: -412.812
where: short stacking energy: -181.201
Base-Backbone interact. energy: -0.029
local terms energy: -194.701044
where:
bonds (distance) C4'-P energy: -34.700
bonds (distance) P-C4' energy: -35.933
flat angles C4'-P-C4' energy: -39.227
flat angles P-C4'-P energy: -27.966
tors. eta vs tors. theta energy: -56.874
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: 1
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -599.620795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.620795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.620795 (E_RNA)
where:
Base-Base interactions energy: -408.054
where: short stacking energy: -175.131
Base-Backbone interact. energy: -0.788
local terms energy: -190.779454
where:
bonds (distance) C4'-P energy: -33.029
bonds (distance) P-C4' energy: -33.449
flat angles C4'-P-C4' energy: -43.610
flat angles P-C4'-P energy: -32.813
tors. eta vs tors. theta energy: -47.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -557.124384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.124384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.124384 (E_RNA)
where:
Base-Base interactions energy: -362.025
where: short stacking energy: -180.591
Base-Backbone interact. energy: -0.328
local terms energy: -194.771511
where:
bonds (distance) C4'-P energy: -40.472
bonds (distance) P-C4' energy: -36.974
flat angles C4'-P-C4' energy: -39.982
flat angles P-C4'-P energy: -28.722
tors. eta vs tors. theta energy: -48.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -490.881658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.881658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.881658 (E_RNA)
where:
Base-Base interactions energy: -323.971
where: short stacking energy: -146.905
Base-Backbone interact. energy: -1.546
local terms energy: -165.364643
where:
bonds (distance) C4'-P energy: -39.999
bonds (distance) P-C4' energy: -32.706
flat angles C4'-P-C4' energy: -38.353
flat angles P-C4'-P energy: -17.596
tors. eta vs tors. theta energy: -36.710
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: 275
Temperature: 1.200000
Total energy: -297.714183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.714183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.714183 (E_RNA)
where:
Base-Base interactions energy: -165.159
where: short stacking energy: -89.720
Base-Backbone interact. energy: -0.565
local terms energy: -131.989482
where:
bonds (distance) C4'-P energy: -34.183
bonds (distance) P-C4' energy: -25.090
flat angles C4'-P-C4' energy: -34.961
flat angles P-C4'-P energy: -17.118
tors. eta vs tors. theta energy: -20.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -200.985146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.985146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.985146 (E_RNA)
where:
Base-Base interactions energy: -87.099
where: short stacking energy: -62.167
Base-Backbone interact. energy: -1.016
local terms energy: -112.869606
where:
bonds (distance) C4'-P energy: -28.075
bonds (distance) P-C4' energy: -39.063
flat angles C4'-P-C4' energy: -30.157
flat angles P-C4'-P energy: -20.944
tors. eta vs tors. theta energy: 5.369
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: 8
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -203.423512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.423512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.423512 (E_RNA)
where:
Base-Base interactions energy: -90.024
where: short stacking energy: -54.993
Base-Backbone interact. energy: -0.368
local terms energy: -113.031648
where:
bonds (distance) C4'-P energy: -30.358
bonds (distance) P-C4' energy: -38.569
flat angles C4'-P-C4' energy: -29.529
flat angles P-C4'-P energy: -18.278
tors. eta vs tors. theta energy: 3.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -182.270596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.270596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.270596 (E_RNA)
where:
Base-Base interactions energy: -61.851
where: short stacking energy: -39.769
Base-Backbone interact. energy: -1.522
local terms energy: -118.897799
where:
bonds (distance) C4'-P energy: -37.527
bonds (distance) P-C4' energy: -40.629
flat angles C4'-P-C4' energy: -33.860
flat angles P-C4'-P energy: -15.905
tors. eta vs tors. theta energy: 9.024
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: 1, replica: 9
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -697.018145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.018145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.018145 (E_RNA)
where:
Base-Base interactions energy: -475.204
where: short stacking energy: -202.818
Base-Backbone interact. energy: 0.701
local terms energy: -222.515022
where:
bonds (distance) C4'-P energy: -40.492
bonds (distance) P-C4' energy: -42.188
flat angles C4'-P-C4' energy: -47.155
flat angles P-C4'-P energy: -29.588
tors. eta vs tors. theta energy: -63.092
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: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -626.372031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.372031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.372031 (E_RNA)
where:
Base-Base interactions energy: -416.978
where: short stacking energy: -180.419
Base-Backbone interact. energy: -0.538
local terms energy: -208.855482
where:
bonds (distance) C4'-P energy: -40.926
bonds (distance) P-C4' energy: -35.138
flat angles C4'-P-C4' energy: -42.933
flat angles P-C4'-P energy: -31.282
tors. eta vs tors. theta energy: -58.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -602.881163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.881163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.881163 (E_RNA)
where:
Base-Base interactions energy: -397.538
where: short stacking energy: -184.729
Base-Backbone interact. energy: 0.523
local terms energy: -205.866656
where:
bonds (distance) C4'-P energy: -26.354
bonds (distance) P-C4' energy: -39.443
flat angles C4'-P-C4' energy: -43.297
flat angles P-C4'-P energy: -35.752
tors. eta vs tors. theta energy: -61.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -574.222447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.222447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.222447 (E_RNA)
where:
Base-Base interactions energy: -387.184
where: short stacking energy: -167.862
Base-Backbone interact. energy: -1.698
local terms energy: -185.340465
where:
bonds (distance) C4'-P energy: -40.045
bonds (distance) P-C4' energy: -30.967
flat angles C4'-P-C4' energy: -37.783
flat angles P-C4'-P energy: -31.117
tors. eta vs tors. theta energy: -45.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -546.633466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.633466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.633466 (E_RNA)
where:
Base-Base interactions energy: -345.896
where: short stacking energy: -168.792
Base-Backbone interact. energy: -0.871
local terms energy: -199.866910
where:
bonds (distance) C4'-P energy: -35.055
bonds (distance) P-C4' energy: -42.260
flat angles C4'-P-C4' energy: -42.266
flat angles P-C4'-P energy: -28.536
tors. eta vs tors. theta energy: -51.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -488.023800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.023800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.023800 (E_RNA)
where:
Base-Base interactions energy: -335.916
where: short stacking energy: -141.239
Base-Backbone interact. energy: -0.497
local terms energy: -151.610768
where:
bonds (distance) C4'-P energy: -30.348
bonds (distance) P-C4' energy: -28.362
flat angles C4'-P-C4' energy: -39.718
flat angles P-C4'-P energy: -18.692
tors. eta vs tors. theta energy: -34.491
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: 4
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -290.759275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.759275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.759275 (E_RNA)
where:
Base-Base interactions energy: -144.918
where: short stacking energy: -90.629
Base-Backbone interact. energy: -0.702
local terms energy: -145.139442
where:
bonds (distance) C4'-P energy: -35.267
bonds (distance) P-C4' energy: -30.209
flat angles C4'-P-C4' energy: -37.241
flat angles P-C4'-P energy: -19.635
tors. eta vs tors. theta energy: -22.787
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: 6
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -196.893385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.893385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.893385 (E_RNA)
where:
Base-Base interactions energy: -77.356
where: short stacking energy: -41.848
Base-Backbone interact. energy: -0.369
local terms energy: -119.168995
where:
bonds (distance) C4'-P energy: -28.546
bonds (distance) P-C4' energy: -37.638
flat angles C4'-P-C4' energy: -36.432
flat angles P-C4'-P energy: -16.852
tors. eta vs tors. theta energy: 0.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -176.988150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.988150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.988150 (E_RNA)
where:
Base-Base interactions energy: -56.648
where: short stacking energy: -55.684
Base-Backbone interact. energy: -1.724
local terms energy: -118.616291
where:
bonds (distance) C4'-P energy: -36.400
bonds (distance) P-C4' energy: -35.179
flat angles C4'-P-C4' energy: -23.463
flat angles P-C4'-P energy: -21.846
tors. eta vs tors. theta energy: -1.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -170.144643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.144643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.144643 (E_RNA)
where:
Base-Base interactions energy: -60.513
where: short stacking energy: -44.003
Base-Backbone interact. energy: -0.436
local terms energy: -109.195979
where:
bonds (distance) C4'-P energy: -23.694
bonds (distance) P-C4' energy: -36.052
flat angles C4'-P-C4' energy: -25.215
flat angles P-C4'-P energy: -26.780
tors. eta vs tors. theta energy: 2.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -674.849457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.849457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.849457 (E_RNA)
where:
Base-Base interactions energy: -463.948
where: short stacking energy: -204.488
Base-Backbone interact. energy: -0.817
local terms energy: -210.084414
where:
bonds (distance) C4'-P energy: -35.284
bonds (distance) P-C4' energy: -36.173
flat angles C4'-P-C4' energy: -43.140
flat angles P-C4'-P energy: -28.116
tors. eta vs tors. theta energy: -67.371
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: 7
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -618.192934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.192934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.192934 (E_RNA)
where:
Base-Base interactions energy: -414.573
where: short stacking energy: -200.511
Base-Backbone interact. energy: -0.667
local terms energy: -202.952516
where:
bonds (distance) C4'-P energy: -31.067
bonds (distance) P-C4' energy: -38.131
flat angles C4'-P-C4' energy: -44.308
flat angles P-C4'-P energy: -32.075
tors. eta vs tors. theta energy: -57.372
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: 3, replica: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -595.138926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.138926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.138926 (E_RNA)
where:
Base-Base interactions energy: -379.258
where: short stacking energy: -161.834
Base-Backbone interact. energy: -0.627
local terms energy: -215.253330
where:
bonds (distance) C4'-P energy: -38.847
bonds (distance) P-C4' energy: -40.827
flat angles C4'-P-C4' energy: -45.462
flat angles P-C4'-P energy: -31.905
tors. eta vs tors. theta energy: -58.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -566.551968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.551968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.551968 (E_RNA)
where:
Base-Base interactions energy: -376.848
where: short stacking energy: -152.813
Base-Backbone interact. energy: -0.616
local terms energy: -189.088085
where:
bonds (distance) C4'-P energy: -38.676
bonds (distance) P-C4' energy: -36.292
flat angles C4'-P-C4' energy: -44.022
flat angles P-C4'-P energy: -24.514
tors. eta vs tors. theta energy: -45.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -559.085287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.085287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.085287 (E_RNA)
where:
Base-Base interactions energy: -350.962
where: short stacking energy: -164.763
Base-Backbone interact. energy: 0.313
local terms energy: -208.437009
where:
bonds (distance) C4'-P energy: -35.441
bonds (distance) P-C4' energy: -39.750
flat angles C4'-P-C4' energy: -44.250
flat angles P-C4'-P energy: -32.156
tors. eta vs tors. theta energy: -56.839
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: 5
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -470.058411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.058411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.058411 (E_RNA)
where:
Base-Base interactions energy: -304.297
where: short stacking energy: -124.048
Base-Backbone interact. energy: -2.381
local terms energy: -163.380293
where:
bonds (distance) C4'-P energy: -36.391
bonds (distance) P-C4' energy: -36.224
flat angles C4'-P-C4' energy: -34.361
flat angles P-C4'-P energy: -27.788
tors. eta vs tors. theta energy: -28.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -274.927229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.927229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.927229 (E_RNA)
where:
Base-Base interactions energy: -137.583
where: short stacking energy: -80.877
Base-Backbone interact. energy: 0.208
local terms energy: -137.551914
where:
bonds (distance) C4'-P energy: -32.896
bonds (distance) P-C4' energy: -38.067
flat angles C4'-P-C4' energy: -29.093
flat angles P-C4'-P energy: -27.142
tors. eta vs tors. theta energy: -10.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -187.622427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.622427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.622427 (E_RNA)
where:
Base-Base interactions energy: -66.374
where: short stacking energy: -57.299
Base-Backbone interact. energy: 1.285
local terms energy: -122.533617
where:
bonds (distance) C4'-P energy: -26.003
bonds (distance) P-C4' energy: -32.730
flat angles C4'-P-C4' energy: -40.414
flat angles P-C4'-P energy: -21.525
tors. eta vs tors. theta energy: -1.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -180.092387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.092387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.092387 (E_RNA)
where:
Base-Base interactions energy: -57.439
where: short stacking energy: -56.594
Base-Backbone interact. energy: -0.024
local terms energy: -122.629279
where:
bonds (distance) C4'-P energy: -32.205
bonds (distance) P-C4' energy: -36.256
flat angles C4'-P-C4' energy: -35.413
flat angles P-C4'-P energy: -19.687
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: 8
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -179.905541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.905541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.905541 (E_RNA)
where:
Base-Base interactions energy: -59.850
where: short stacking energy: -43.616
Base-Backbone interact. energy: 0.287
local terms energy: -120.341928
where:
bonds (distance) C4'-P energy: -36.208
bonds (distance) P-C4' energy: -38.929
flat angles C4'-P-C4' energy: -26.971
flat angles P-C4'-P energy: -16.032
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: 9
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -675.332707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.332707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.332707 (E_RNA)
where:
Base-Base interactions energy: -447.065
where: short stacking energy: -200.180
Base-Backbone interact. energy: -0.603
local terms energy: -227.664709
where:
bonds (distance) C4'-P energy: -41.824
bonds (distance) P-C4' energy: -42.986
flat angles C4'-P-C4' energy: -44.458
flat angles P-C4'-P energy: -31.951
tors. eta vs tors. theta energy: -66.445
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: 7
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -620.343428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.343428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.343428 (E_RNA)
where:
Base-Base interactions energy: -402.501
where: short stacking energy: -187.105
Base-Backbone interact. energy: -0.543
local terms energy: -217.300182
where:
bonds (distance) C4'-P energy: -38.379
bonds (distance) P-C4' energy: -45.440
flat angles C4'-P-C4' energy: -42.145
flat angles P-C4'-P energy: -31.029
tors. eta vs tors. theta energy: -60.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -594.081823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.081823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.081823 (E_RNA)
where:
Base-Base interactions energy: -395.100
where: short stacking energy: -158.903
Base-Backbone interact. energy: -0.533
local terms energy: -198.449280
where:
bonds (distance) C4'-P energy: -30.131
bonds (distance) P-C4' energy: -39.866
flat angles C4'-P-C4' energy: -43.144
flat angles P-C4'-P energy: -34.677
tors. eta vs tors. theta energy: -50.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -584.295513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.295513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.295513 (E_RNA)
where:
Base-Base interactions energy: -396.452
where: short stacking energy: -160.000
Base-Backbone interact. energy: -1.204
local terms energy: -186.639080
where:
bonds (distance) C4'-P energy: -34.505
bonds (distance) P-C4' energy: -34.469
flat angles C4'-P-C4' energy: -39.881
flat angles P-C4'-P energy: -38.498
tors. eta vs tors. theta energy: -39.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -549.307003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.307003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.307003 (E_RNA)
where:
Base-Base interactions energy: -356.899
where: short stacking energy: -171.471
Base-Backbone interact. energy: -0.302
local terms energy: -192.106586
where:
bonds (distance) C4'-P energy: -32.473
bonds (distance) P-C4' energy: -46.368
flat angles C4'-P-C4' energy: -34.352
flat angles P-C4'-P energy: -30.280
tors. eta vs tors. theta energy: -48.634
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: 278
Temperature: 1.150000
Total energy: -492.590162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.590162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.590162 (E_RNA)
where:
Base-Base interactions energy: -316.622
where: short stacking energy: -130.117
Base-Backbone interact. energy: -1.337
local terms energy: -174.631432
where:
bonds (distance) C4'-P energy: -30.998
bonds (distance) P-C4' energy: -38.170
flat angles C4'-P-C4' energy: -35.214
flat angles P-C4'-P energy: -28.291
tors. eta vs tors. theta energy: -41.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -296.245585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.245585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.245585 (E_RNA)
where:
Base-Base interactions energy: -165.319
where: short stacking energy: -82.098
Base-Backbone interact. energy: -0.761
local terms energy: -130.165127
where:
bonds (distance) C4'-P energy: -33.864
bonds (distance) P-C4' energy: -34.897
flat angles C4'-P-C4' energy: -27.594
flat angles P-C4'-P energy: -19.470
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -206.416499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.416499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.416499 (E_RNA)
where:
Base-Base interactions energy: -80.930
where: short stacking energy: -67.913
Base-Backbone interact. energy: -0.543
local terms energy: -124.943313
where:
bonds (distance) C4'-P energy: -42.294
bonds (distance) P-C4' energy: -35.528
flat angles C4'-P-C4' energy: -26.509
flat angles P-C4'-P energy: -22.300
tors. eta vs tors. theta energy: 1.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -194.331807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.331807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.331807 (E_RNA)
where:
Base-Base interactions energy: -88.328
where: short stacking energy: -55.314
Base-Backbone interact. energy: 1.037
local terms energy: -107.040853
where:
bonds (distance) C4'-P energy: -33.683
bonds (distance) P-C4' energy: -31.780
flat angles C4'-P-C4' energy: -34.315
flat angles P-C4'-P energy: -13.185
tors. eta vs tors. theta energy: 5.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -171.096606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.096606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.096606 (E_RNA)
where:
Base-Base interactions energy: -52.296
where: short stacking energy: -47.649
Base-Backbone interact. energy: 1.758
local terms energy: -120.558899
where:
bonds (distance) C4'-P energy: -33.121
bonds (distance) P-C4' energy: -30.443
flat angles C4'-P-C4' energy: -30.650
flat angles P-C4'-P energy: -25.587
tors. eta vs tors. theta energy: -0.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -684.520403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.520403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.520403 (E_RNA)
where:
Base-Base interactions energy: -452.894
where: short stacking energy: -203.350
Base-Backbone interact. energy: -0.428
local terms energy: -231.198249
where:
bonds (distance) C4'-P energy: -43.235
bonds (distance) P-C4' energy: -41.152
flat angles C4'-P-C4' energy: -48.339
flat angles P-C4'-P energy: -32.354
tors. eta vs tors. theta energy: -66.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -619.453762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.453762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.453762 (E_RNA)
where:
Base-Base interactions energy: -409.661
where: short stacking energy: -189.762
Base-Backbone interact. energy: -1.777
local terms energy: -208.016353
where:
bonds (distance) C4'-P energy: -35.111
bonds (distance) P-C4' energy: -41.485
flat angles C4'-P-C4' energy: -40.834
flat angles P-C4'-P energy: -34.930
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: 3, replica: 7
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -599.903693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.903693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.903693 (E_RNA)
where:
Base-Base interactions energy: -397.737
where: short stacking energy: -181.217
Base-Backbone interact. energy: -0.388
local terms energy: -201.778401
where:
bonds (distance) C4'-P energy: -43.286
bonds (distance) P-C4' energy: -36.269
flat angles C4'-P-C4' energy: -42.091
flat angles P-C4'-P energy: -23.878
tors. eta vs tors. theta energy: -56.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -576.325526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.325526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.325526 (E_RNA)
where:
Base-Base interactions energy: -395.296
where: short stacking energy: -163.270
Base-Backbone interact. energy: -1.374
local terms energy: -179.656067
where:
bonds (distance) C4'-P energy: -36.064
bonds (distance) P-C4' energy: -39.967
flat angles C4'-P-C4' energy: -28.215
flat angles P-C4'-P energy: -34.710
tors. eta vs tors. theta energy: -40.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -554.661561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.661561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.661561 (E_RNA)
where:
Base-Base interactions energy: -369.373
where: short stacking energy: -173.581
Base-Backbone interact. energy: 0.080
local terms energy: -185.368620
where:
bonds (distance) C4'-P energy: -32.997
bonds (distance) P-C4' energy: -37.028
flat angles C4'-P-C4' energy: -41.130
flat angles P-C4'-P energy: -24.704
tors. eta vs tors. theta energy: -49.511
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: 6, replica: 5
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -506.479052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.479052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.479052 (E_RNA)
where:
Base-Base interactions energy: -339.104
where: short stacking energy: -136.717
Base-Backbone interact. energy: 0.166
local terms energy: -167.541866
where:
bonds (distance) C4'-P energy: -36.949
bonds (distance) P-C4' energy: -41.560
flat angles C4'-P-C4' energy: -31.085
flat angles P-C4'-P energy: -29.000
tors. eta vs tors. theta energy: -28.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -300.429001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.429001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.429001 (E_RNA)
where:
Base-Base interactions energy: -171.648
where: short stacking energy: -98.696
Base-Backbone interact. energy: -0.557
local terms energy: -128.224313
where:
bonds (distance) C4'-P energy: -31.779
bonds (distance) P-C4' energy: -26.727
flat angles C4'-P-C4' energy: -40.291
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -20.557
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: 10
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -220.413246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.413246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.413246 (E_RNA)
where:
Base-Base interactions energy: -82.586
where: short stacking energy: -68.491
Base-Backbone interact. energy: 0.520
local terms energy: -138.347104
where:
bonds (distance) C4'-P energy: -40.652
bonds (distance) P-C4' energy: -37.949
flat angles C4'-P-C4' energy: -26.118
flat angles P-C4'-P energy: -22.186
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: 9, replica: 8
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -190.106039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.106039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.106039 (E_RNA)
where:
Base-Base interactions energy: -69.257
where: short stacking energy: -49.651
Base-Backbone interact. energy: -0.293
local terms energy: -120.555567
where:
bonds (distance) C4'-P energy: -34.612
bonds (distance) P-C4' energy: -29.830
flat angles C4'-P-C4' energy: -35.102
flat angles P-C4'-P energy: -15.508
tors. eta vs tors. theta energy: -5.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -164.890821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.890821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.890821 (E_RNA)
where:
Base-Base interactions energy: -52.826
where: short stacking energy: -39.969
Base-Backbone interact. energy: -0.443
local terms energy: -111.621656
where:
bonds (distance) C4'-P energy: -29.422
bonds (distance) P-C4' energy: -37.989
flat angles C4'-P-C4' energy: -33.379
flat angles P-C4'-P energy: -21.246
tors. eta vs tors. theta energy: 10.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -680.095998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.095998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.095998 (E_RNA)
where:
Base-Base interactions energy: -463.465
where: short stacking energy: -198.713
Base-Backbone interact. energy: -0.205
local terms energy: -216.426804
where:
bonds (distance) C4'-P energy: -40.722
bonds (distance) P-C4' energy: -37.107
flat angles C4'-P-C4' energy: -45.403
flat angles P-C4'-P energy: -29.924
tors. eta vs tors. theta energy: -63.270
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: 3
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -624.046379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.046379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.046379 (E_RNA)
where:
Base-Base interactions energy: -421.458
where: short stacking energy: -179.692
Base-Backbone interact. energy: -1.047
local terms energy: -201.541018
where:
bonds (distance) C4'-P energy: -38.222
bonds (distance) P-C4' energy: -30.345
flat angles C4'-P-C4' energy: -48.475
flat angles P-C4'-P energy: -27.016
tors. eta vs tors. theta energy: -57.483
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: 3, replica: 7
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -606.579267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.579267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.579267 (E_RNA)
where:
Base-Base interactions energy: -398.855
where: short stacking energy: -190.737
Base-Backbone interact. energy: -0.512
local terms energy: -207.212854
where:
bonds (distance) C4'-P energy: -34.518
bonds (distance) P-C4' energy: -37.473
flat angles C4'-P-C4' energy: -41.130
flat angles P-C4'-P energy: -25.929
tors. eta vs tors. theta energy: -68.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -566.207192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.207192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.207192 (E_RNA)
where:
Base-Base interactions energy: -386.434
where: short stacking energy: -168.602
Base-Backbone interact. energy: -1.824
local terms energy: -177.948756
where:
bonds (distance) C4'-P energy: -32.864
bonds (distance) P-C4' energy: -25.931
flat angles C4'-P-C4' energy: -39.138
flat angles P-C4'-P energy: -28.708
tors. eta vs tors. theta energy: -51.307
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: 280
Temperature: 1.100000
Total energy: -552.935198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.935198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.935198 (E_RNA)
where:
Base-Base interactions energy: -359.149
where: short stacking energy: -147.514
Base-Backbone interact. energy: -1.428
local terms energy: -192.359022
where:
bonds (distance) C4'-P energy: -40.597
bonds (distance) P-C4' energy: -40.346
flat angles C4'-P-C4' energy: -44.076
flat angles P-C4'-P energy: -29.399
tors. eta vs tors. theta energy: -37.940
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: 280
Temperature: 1.150000
Total energy: -523.904112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.904112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.904112 (E_RNA)
where:
Base-Base interactions energy: -343.048
where: short stacking energy: -163.894
Base-Backbone interact. energy: -0.247
local terms energy: -180.609019
where:
bonds (distance) C4'-P energy: -34.536
bonds (distance) P-C4' energy: -38.164
flat angles C4'-P-C4' energy: -32.538
flat angles P-C4'-P energy: -28.372
tors. eta vs tors. theta energy: -46.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -297.276722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.276722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.276722 (E_RNA)
where:
Base-Base interactions energy: -153.620
where: short stacking energy: -76.962
Base-Backbone interact. energy: -0.979
local terms energy: -142.677842
where:
bonds (distance) C4'-P energy: -41.315
bonds (distance) P-C4' energy: -34.000
flat angles C4'-P-C4' energy: -34.736
flat angles P-C4'-P energy: -20.390
tors. eta vs tors. theta energy: -12.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -207.043684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.043684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.043684 (E_RNA)
where:
Base-Base interactions energy: -75.753
where: short stacking energy: -59.780
Base-Backbone interact. energy: 3.321
local terms energy: -134.611799
where:
bonds (distance) C4'-P energy: -36.759
bonds (distance) P-C4' energy: -32.634
flat angles C4'-P-C4' energy: -32.802
flat angles P-C4'-P energy: -25.738
tors. eta vs tors. theta energy: -6.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -200.136976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.136976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.136976 (E_RNA)
where:
Base-Base interactions energy: -97.528
where: short stacking energy: -56.184
Base-Backbone interact. energy: -0.517
local terms energy: -102.091369
where:
bonds (distance) C4'-P energy: -30.972
bonds (distance) P-C4' energy: -33.331
flat angles C4'-P-C4' energy: -24.651
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -1.594
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: 8
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -165.434575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.434575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.434575 (E_RNA)
where:
Base-Base interactions energy: -42.984
where: short stacking energy: -37.076
Base-Backbone interact. energy: 1.896
local terms energy: -124.346242
where:
bonds (distance) C4'-P energy: -34.609
bonds (distance) P-C4' energy: -42.641
flat angles C4'-P-C4' energy: -24.291
flat angles P-C4'-P energy: -25.005
tors. eta vs tors. theta energy: 2.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -666.968016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.968016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.968016 (E_RNA)
where:
Base-Base interactions energy: -450.401
where: short stacking energy: -193.781
Base-Backbone interact. energy: -0.392
local terms energy: -216.174868
where:
bonds (distance) C4'-P energy: -37.258
bonds (distance) P-C4' energy: -38.449
flat angles C4'-P-C4' energy: -42.637
flat angles P-C4'-P energy: -32.725
tors. eta vs tors. theta energy: -65.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -619.243201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.243201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.243201 (E_RNA)
where:
Base-Base interactions energy: -405.765
where: short stacking energy: -193.546
Base-Backbone interact. energy: -0.342
local terms energy: -213.135922
where:
bonds (distance) C4'-P energy: -36.095
bonds (distance) P-C4' energy: -42.830
flat angles C4'-P-C4' energy: -37.254
flat angles P-C4'-P energy: -32.684
tors. eta vs tors. theta energy: -64.273
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: 3
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -627.693611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.693611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.693611 (E_RNA)
where:
Base-Base interactions energy: -421.622
where: short stacking energy: -186.411
Base-Backbone interact. energy: -0.357
local terms energy: -205.714508
where:
bonds (distance) C4'-P energy: -44.158
bonds (distance) P-C4' energy: -39.408
flat angles C4'-P-C4' energy: -43.171
flat angles P-C4'-P energy: -19.126
tors. eta vs tors. theta energy: -59.851
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: 5
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -580.726014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.726014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.726014 (E_RNA)
where:
Base-Base interactions energy: -404.108
where: short stacking energy: -163.968
Base-Backbone interact. energy: 1.106
local terms energy: -177.723280
where:
bonds (distance) C4'-P energy: -41.133
bonds (distance) P-C4' energy: -26.533
flat angles C4'-P-C4' energy: -36.941
flat angles P-C4'-P energy: -28.804
tors. eta vs tors. theta energy: -44.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -566.482256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.482256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.482256 (E_RNA)
where:
Base-Base interactions energy: -369.428
where: short stacking energy: -155.273
Base-Backbone interact. energy: 0.058
local terms energy: -197.111997
where:
bonds (distance) C4'-P energy: -35.048
bonds (distance) P-C4' energy: -40.165
flat angles C4'-P-C4' energy: -43.848
flat angles P-C4'-P energy: -28.276
tors. eta vs tors. theta energy: -49.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -515.752019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.752019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.752019 (E_RNA)
where:
Base-Base interactions energy: -337.859
where: short stacking energy: -148.428
Base-Backbone interact. energy: -1.042
local terms energy: -176.851730
where:
bonds (distance) C4'-P energy: -39.416
bonds (distance) P-C4' energy: -38.651
flat angles C4'-P-C4' energy: -31.078
flat angles P-C4'-P energy: -27.212
tors. eta vs tors. theta energy: -40.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -324.157943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.157943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.157943 (E_RNA)
where:
Base-Base interactions energy: -180.723
where: short stacking energy: -104.466
Base-Backbone interact. energy: 0.780
local terms energy: -144.215116
where:
bonds (distance) C4'-P energy: -28.763
bonds (distance) P-C4' energy: -35.474
flat angles C4'-P-C4' energy: -35.119
flat angles P-C4'-P energy: -21.057
tors. eta vs tors. theta energy: -23.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -229.403270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.403270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.403270 (E_RNA)
where:
Base-Base interactions energy: -89.930
where: short stacking energy: -53.601
Base-Backbone interact. energy: 4.530
local terms energy: -144.002490
where:
bonds (distance) C4'-P energy: -36.235
bonds (distance) P-C4' energy: -39.018
flat angles C4'-P-C4' energy: -40.854
flat angles P-C4'-P energy: -20.876
tors. eta vs tors. theta energy: -7.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -187.671986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.671986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.671986 (E_RNA)
where:
Base-Base interactions energy: -69.392
where: short stacking energy: -57.774
Base-Backbone interact. energy: -0.613
local terms energy: -117.666711
where:
bonds (distance) C4'-P energy: -29.680
bonds (distance) P-C4' energy: -42.622
flat angles C4'-P-C4' energy: -26.065
flat angles P-C4'-P energy: -17.705
tors. eta vs tors. theta energy: -1.594
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: 8
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -173.997718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.997718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.997718 (E_RNA)
where:
Base-Base interactions energy: -66.256
where: short stacking energy: -42.958
Base-Backbone interact. energy: -2.122
local terms energy: -105.619956
where:
bonds (distance) C4'-P energy: -25.383
bonds (distance) P-C4' energy: -41.977
flat angles C4'-P-C4' energy: -33.948
flat angles P-C4'-P energy: -23.216
tors. eta vs tors. theta energy: 18.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -631.149429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.149429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.149429 (E_RNA)
where:
Base-Base interactions energy: -409.824
where: short stacking energy: -194.720
Base-Backbone interact. energy: -0.703
local terms energy: -220.622178
where:
bonds (distance) C4'-P energy: -37.762
bonds (distance) P-C4' energy: -47.819
flat angles C4'-P-C4' energy: -41.066
flat angles P-C4'-P energy: -37.500
tors. eta vs tors. theta energy: -56.474
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: 9
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -666.784944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.784944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.784944 (E_RNA)
where:
Base-Base interactions energy: -445.507
where: short stacking energy: -189.250
Base-Backbone interact. energy: -0.487
local terms energy: -220.790863
where:
bonds (distance) C4'-P energy: -40.986
bonds (distance) P-C4' energy: -40.211
flat angles C4'-P-C4' energy: -45.760
flat angles P-C4'-P energy: -32.504
tors. eta vs tors. theta energy: -61.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -626.685075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.685075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.685075 (E_RNA)
where:
Base-Base interactions energy: -420.507
where: short stacking energy: -172.076
Base-Backbone interact. energy: -0.143
local terms energy: -206.034516
where:
bonds (distance) C4'-P energy: -37.075
bonds (distance) P-C4' energy: -41.338
flat angles C4'-P-C4' energy: -48.644
flat angles P-C4'-P energy: -25.685
tors. eta vs tors. theta energy: -53.291
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: 4, replica: 5
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -576.207041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.207041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.207041 (E_RNA)
where:
Base-Base interactions energy: -385.901
where: short stacking energy: -153.747
Base-Backbone interact. energy: -1.301
local terms energy: -189.005595
where:
bonds (distance) C4'-P energy: -40.439
bonds (distance) P-C4' energy: -39.642
flat angles C4'-P-C4' energy: -38.138
flat angles P-C4'-P energy: -29.640
tors. eta vs tors. theta energy: -41.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -537.985353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.985353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.985353 (E_RNA)
where:
Base-Base interactions energy: -352.245
where: short stacking energy: -165.636
Base-Backbone interact. energy: -0.107
local terms energy: -185.633332
where:
bonds (distance) C4'-P energy: -36.973
bonds (distance) P-C4' energy: -37.686
flat angles C4'-P-C4' energy: -35.747
flat angles P-C4'-P energy: -26.020
tors. eta vs tors. theta energy: -49.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -534.324019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.324019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.324019 (E_RNA)
where:
Base-Base interactions energy: -348.386
where: short stacking energy: -151.676
Base-Backbone interact. energy: -0.494
local terms energy: -185.443958
where:
bonds (distance) C4'-P energy: -28.591
bonds (distance) P-C4' energy: -39.598
flat angles C4'-P-C4' energy: -44.642
flat angles P-C4'-P energy: -29.951
tors. eta vs tors. theta energy: -42.662
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: 4
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -327.436475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.436475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.436475 (E_RNA)
where:
Base-Base interactions energy: -170.523
where: short stacking energy: -98.721
Base-Backbone interact. energy: -0.762
local terms energy: -156.151247
where:
bonds (distance) C4'-P energy: -35.844
bonds (distance) P-C4' energy: -36.692
flat angles C4'-P-C4' energy: -29.641
flat angles P-C4'-P energy: -25.114
tors. eta vs tors. theta energy: -28.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -201.355872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.355872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.355872 (E_RNA)
where:
Base-Base interactions energy: -87.597
where: short stacking energy: -63.432
Base-Backbone interact. energy: -1.081
local terms energy: -112.677615
where:
bonds (distance) C4'-P energy: -28.308
bonds (distance) P-C4' energy: -36.974
flat angles C4'-P-C4' energy: -26.348
flat angles P-C4'-P energy: -17.554
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: 9, replica: 10
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -177.288612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.288612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.288612 (E_RNA)
where:
Base-Base interactions energy: -61.485
where: short stacking energy: -47.624
Base-Backbone interact. energy: 0.895
local terms energy: -116.698590
where:
bonds (distance) C4'-P energy: -29.628
bonds (distance) P-C4' energy: -42.884
flat angles C4'-P-C4' energy: -32.191
flat angles P-C4'-P energy: -18.281
tors. eta vs tors. theta energy: 6.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -170.723668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.723668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.723668 (E_RNA)
where:
Base-Base interactions energy: -67.146
where: short stacking energy: -59.473
Base-Backbone interact. energy: -0.368
local terms energy: -103.210471
where:
bonds (distance) C4'-P energy: -28.255
bonds (distance) P-C4' energy: -34.277
flat angles C4'-P-C4' energy: -27.347
flat angles P-C4'-P energy: -11.204
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: 1, replica: 7
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -631.199503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.199503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.199503 (E_RNA)
where:
Base-Base interactions energy: -418.069
where: short stacking energy: -193.791
Base-Backbone interact. energy: -1.028
local terms energy: -212.102846
where:
bonds (distance) C4'-P energy: -32.462
bonds (distance) P-C4' energy: -41.548
flat angles C4'-P-C4' energy: -42.771
flat angles P-C4'-P energy: -34.938
tors. eta vs tors. theta energy: -60.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -637.880992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.880992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.880992 (E_RNA)
where:
Base-Base interactions energy: -432.805
where: short stacking energy: -177.684
Base-Backbone interact. energy: -0.980
local terms energy: -204.096102
where:
bonds (distance) C4'-P energy: -35.915
bonds (distance) P-C4' energy: -43.839
flat angles C4'-P-C4' energy: -45.476
flat angles P-C4'-P energy: -26.855
tors. eta vs tors. theta energy: -52.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -661.274632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.274632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.274632 (E_RNA)
where:
Base-Base interactions energy: -450.843
where: short stacking energy: -196.855
Base-Backbone interact. energy: 1.254
local terms energy: -211.685874
where:
bonds (distance) C4'-P energy: -40.383
bonds (distance) P-C4' energy: -36.716
flat angles C4'-P-C4' energy: -41.654
flat angles P-C4'-P energy: -26.582
tors. eta vs tors. theta energy: -66.351
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: 2
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -566.165693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.165693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.165693 (E_RNA)
where:
Base-Base interactions energy: -365.571
where: short stacking energy: -182.593
Base-Backbone interact. energy: -0.158
local terms energy: -200.436714
where:
bonds (distance) C4'-P energy: -38.228
bonds (distance) P-C4' energy: -38.888
flat angles C4'-P-C4' energy: -40.968
flat angles P-C4'-P energy: -32.361
tors. eta vs tors. theta energy: -49.991
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: 5
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -558.742658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.742658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.742658 (E_RNA)
where:
Base-Base interactions energy: -374.062
where: short stacking energy: -146.409
Base-Backbone interact. energy: -1.187
local terms energy: -183.494230
where:
bonds (distance) C4'-P energy: -33.406
bonds (distance) P-C4' energy: -40.419
flat angles C4'-P-C4' energy: -38.884
flat angles P-C4'-P energy: -27.843
tors. eta vs tors. theta energy: -42.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -525.727083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.727083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.727083 (E_RNA)
where:
Base-Base interactions energy: -353.518
where: short stacking energy: -151.238
Base-Backbone interact. energy: -0.266
local terms energy: -171.943330
where:
bonds (distance) C4'-P energy: -37.248
bonds (distance) P-C4' energy: -35.346
flat angles C4'-P-C4' energy: -41.830
flat angles P-C4'-P energy: -19.368
tors. eta vs tors. theta energy: -38.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -305.263733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.263733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.263733 (E_RNA)
where:
Base-Base interactions energy: -154.192
where: short stacking energy: -87.944
Base-Backbone interact. energy: 3.315
local terms energy: -154.386810
where:
bonds (distance) C4'-P energy: -36.001
bonds (distance) P-C4' energy: -42.927
flat angles C4'-P-C4' energy: -34.731
flat angles P-C4'-P energy: -29.477
tors. eta vs tors. theta energy: -11.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -267.470534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.470534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.470534 (E_RNA)
where:
Base-Base interactions energy: -131.099
where: short stacking energy: -84.089
Base-Backbone interact. energy: -2.042
local terms energy: -134.329611
where:
bonds (distance) C4'-P energy: -29.047
bonds (distance) P-C4' energy: -36.652
flat angles C4'-P-C4' energy: -39.358
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -14.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -178.558550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.558550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.558550 (E_RNA)
where:
Base-Base interactions energy: -64.109
where: short stacking energy: -39.753
Base-Backbone interact. energy: 2.391
local terms energy: -116.840616
where:
bonds (distance) C4'-P energy: -37.050
bonds (distance) P-C4' energy: -33.289
flat angles C4'-P-C4' energy: -33.594
flat angles P-C4'-P energy: -24.183
tors. eta vs tors. theta energy: 11.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -188.934102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.934102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.934102 (E_RNA)
where:
Base-Base interactions energy: -60.636
where: short stacking energy: -50.558
Base-Backbone interact. energy: -0.576
local terms energy: -127.721933
where:
bonds (distance) C4'-P energy: -20.636
bonds (distance) P-C4' energy: -39.733
flat angles C4'-P-C4' energy: -33.781
flat angles P-C4'-P energy: -23.114
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: 1, replica: 3
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -642.081261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.081261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.081261 (E_RNA)
where:
Base-Base interactions energy: -425.742
where: short stacking energy: -189.865
Base-Backbone interact. energy: 0.016
local terms energy: -216.355053
where:
bonds (distance) C4'-P energy: -42.686
bonds (distance) P-C4' energy: -41.283
flat angles C4'-P-C4' energy: -42.392
flat angles P-C4'-P energy: -30.131
tors. eta vs tors. theta energy: -59.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -619.203736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.203736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.203736 (E_RNA)
where:
Base-Base interactions energy: -407.666
where: short stacking energy: -186.546
Base-Backbone interact. energy: -0.564
local terms energy: -210.974271
where:
bonds (distance) C4'-P energy: -43.204
bonds (distance) P-C4' energy: -40.867
flat angles C4'-P-C4' energy: -41.355
flat angles P-C4'-P energy: -27.859
tors. eta vs tors. theta energy: -57.689
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: 9
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -666.729234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.729234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.729234 (E_RNA)
where:
Base-Base interactions energy: -441.276
where: short stacking energy: -190.447
Base-Backbone interact. energy: -0.123
local terms energy: -225.329571
where:
bonds (distance) C4'-P energy: -41.098
bonds (distance) P-C4' energy: -40.749
flat angles C4'-P-C4' energy: -48.383
flat angles P-C4'-P energy: -34.190
tors. eta vs tors. theta energy: -60.909
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: 4, replica: 2
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -572.651104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.651104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.651104 (E_RNA)
where:
Base-Base interactions energy: -368.556
where: short stacking energy: -176.507
Base-Backbone interact. energy: 0.866
local terms energy: -204.961174
where:
bonds (distance) C4'-P energy: -34.749
bonds (distance) P-C4' energy: -40.936
flat angles C4'-P-C4' energy: -44.118
flat angles P-C4'-P energy: -30.425
tors. eta vs tors. theta energy: -54.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -538.893501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.893501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.893501 (E_RNA)
where:
Base-Base interactions energy: -372.598
where: short stacking energy: -163.403
Base-Backbone interact. energy: -1.261
local terms energy: -165.034909
where:
bonds (distance) C4'-P energy: -32.521
bonds (distance) P-C4' energy: -28.513
flat angles C4'-P-C4' energy: -47.385
flat angles P-C4'-P energy: -20.635
tors. eta vs tors. theta energy: -35.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -553.617394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.617394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.617394 (E_RNA)
where:
Base-Base interactions energy: -379.767
where: short stacking energy: -146.254
Base-Backbone interact. energy: -0.452
local terms energy: -173.398543
where:
bonds (distance) C4'-P energy: -35.098
bonds (distance) P-C4' energy: -30.725
flat angles C4'-P-C4' energy: -37.841
flat angles P-C4'-P energy: -27.026
tors. eta vs tors. theta energy: -42.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -327.767467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.767467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.767467 (E_RNA)
where:
Base-Base interactions energy: -183.161
where: short stacking energy: -96.502
Base-Backbone interact. energy: -0.273
local terms energy: -144.332772
where:
bonds (distance) C4'-P energy: -35.638
bonds (distance) P-C4' energy: -41.721
flat angles C4'-P-C4' energy: -22.927
flat angles P-C4'-P energy: -19.028
tors. eta vs tors. theta energy: -25.020
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: 8, replica: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -264.629678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.629678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.629678 (E_RNA)
where:
Base-Base interactions energy: -116.655
where: short stacking energy: -62.761
Base-Backbone interact. energy: 1.196
local terms energy: -149.169850
where:
bonds (distance) C4'-P energy: -40.088
bonds (distance) P-C4' energy: -37.766
flat angles C4'-P-C4' energy: -36.996
flat angles P-C4'-P energy: -23.157
tors. eta vs tors. theta energy: -11.164
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: 10
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -179.895975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.895975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.895975 (E_RNA)
where:
Base-Base interactions energy: -63.822
where: short stacking energy: -59.579
Base-Backbone interact. energy: -1.214
local terms energy: -114.860261
where:
bonds (distance) C4'-P energy: -32.476
bonds (distance) P-C4' energy: -29.965
flat angles C4'-P-C4' energy: -23.582
flat angles P-C4'-P energy: -27.181
tors. eta vs tors. theta energy: -1.656
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: 8
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -174.465002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.465002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.465002 (E_RNA)
where:
Base-Base interactions energy: -57.439
where: short stacking energy: -47.627
Base-Backbone interact. energy: -0.675
local terms energy: -116.350861
where:
bonds (distance) C4'-P energy: -31.567
bonds (distance) P-C4' energy: -41.519
flat angles C4'-P-C4' energy: -29.013
flat angles P-C4'-P energy: -18.973
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: 3
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -638.549896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.549896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.549896 (E_RNA)
where:
Base-Base interactions energy: -426.758
where: short stacking energy: -190.709
Base-Backbone interact. energy: -0.774
local terms energy: -211.017227
where:
bonds (distance) C4'-P energy: -40.746
bonds (distance) P-C4' energy: -35.956
flat angles C4'-P-C4' energy: -44.022
flat angles P-C4'-P energy: -29.302
tors. eta vs tors. theta energy: -60.991
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: 2, replica: 9
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -663.414869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.414869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.414869 (E_RNA)
where:
Base-Base interactions energy: -446.634
where: short stacking energy: -199.311
Base-Backbone interact. energy: -0.320
local terms energy: -216.461209
where:
bonds (distance) C4'-P energy: -38.846
bonds (distance) P-C4' energy: -41.082
flat angles C4'-P-C4' energy: -40.776
flat angles P-C4'-P energy: -29.550
tors. eta vs tors. theta energy: -66.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -598.354459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.354459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.354459 (E_RNA)
where:
Base-Base interactions energy: -396.417
where: short stacking energy: -178.187
Base-Backbone interact. energy: 1.381
local terms energy: -203.317902
where:
bonds (distance) C4'-P energy: -39.306
bonds (distance) P-C4' energy: -40.342
flat angles C4'-P-C4' energy: -44.243
flat angles P-C4'-P energy: -27.609
tors. eta vs tors. theta energy: -51.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -578.300443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.300443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.300443 (E_RNA)
where:
Base-Base interactions energy: -386.907
where: short stacking energy: -166.168
Base-Backbone interact. energy: -1.056
local terms energy: -190.337868
where:
bonds (distance) C4'-P energy: -38.286
bonds (distance) P-C4' energy: -35.714
flat angles C4'-P-C4' energy: -43.312
flat angles P-C4'-P energy: -22.759
tors. eta vs tors. theta energy: -50.268
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: 2
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -553.598393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.598393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.598393 (E_RNA)
where:
Base-Base interactions energy: -347.722
where: short stacking energy: -169.885
Base-Backbone interact. energy: -0.284
local terms energy: -205.593150
where:
bonds (distance) C4'-P energy: -36.790
bonds (distance) P-C4' energy: -35.819
flat angles C4'-P-C4' energy: -46.067
flat angles P-C4'-P energy: -29.591
tors. eta vs tors. theta energy: -57.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -539.823175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.823175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.823175 (E_RNA)
where:
Base-Base interactions energy: -363.438
where: short stacking energy: -133.332
Base-Backbone interact. energy: -0.705
local terms energy: -175.680317
where:
bonds (distance) C4'-P energy: -39.663
bonds (distance) P-C4' energy: -37.775
flat angles C4'-P-C4' energy: -32.920
flat angles P-C4'-P energy: -25.587
tors. eta vs tors. theta energy: -39.735
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: 285
Temperature: 1.200000
Total energy: -272.331617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.331617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.331617 (E_RNA)
where:
Base-Base interactions energy: -134.186
where: short stacking energy: -65.429
Base-Backbone interact. energy: 0.693
local terms energy: -138.838664
where:
bonds (distance) C4'-P energy: -28.032
bonds (distance) P-C4' energy: -37.847
flat angles C4'-P-C4' energy: -33.994
flat angles P-C4'-P energy: -27.340
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: 8, replica: 10
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -190.199041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.199041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.199041 (E_RNA)
where:
Base-Base interactions energy: -65.333
where: short stacking energy: -56.986
Base-Backbone interact. energy: -0.243
local terms energy: -124.623157
where:
bonds (distance) C4'-P energy: -38.777
bonds (distance) P-C4' energy: -44.740
flat angles C4'-P-C4' energy: -26.700
flat angles P-C4'-P energy: -12.017
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: 9, replica: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -238.922227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.922227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.922227 (E_RNA)
where:
Base-Base interactions energy: -134.219
where: short stacking energy: -77.260
Base-Backbone interact. energy: -0.890
local terms energy: -103.813614
where:
bonds (distance) C4'-P energy: -33.997
bonds (distance) P-C4' energy: -27.274
flat angles C4'-P-C4' energy: -22.381
flat angles P-C4'-P energy: -18.252
tors. eta vs tors. theta energy: -1.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -171.156661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.156661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.156661 (E_RNA)
where:
Base-Base interactions energy: -58.344
where: short stacking energy: -56.083
Base-Backbone interact. energy: 0.055
local terms energy: -112.867752
where:
bonds (distance) C4'-P energy: -26.040
bonds (distance) P-C4' energy: -41.382
flat angles C4'-P-C4' energy: -25.714
flat angles P-C4'-P energy: -17.813
tors. eta vs tors. theta energy: -1.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -686.790875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.790875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.790875 (E_RNA)
where:
Base-Base interactions energy: -467.149
where: short stacking energy: -189.554
Base-Backbone interact. energy: -0.972
local terms energy: -218.669256
where:
bonds (distance) C4'-P energy: -36.370
bonds (distance) P-C4' energy: -40.744
flat angles C4'-P-C4' energy: -47.474
flat angles P-C4'-P energy: -31.345
tors. eta vs tors. theta energy: -62.736
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: 3
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -623.083533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.083533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.083533 (E_RNA)
where:
Base-Base interactions energy: -418.697
where: short stacking energy: -183.255
Base-Backbone interact. energy: -0.359
local terms energy: -204.027343
where:
bonds (distance) C4'-P energy: -34.499
bonds (distance) P-C4' energy: -41.335
flat angles C4'-P-C4' energy: -37.868
flat angles P-C4'-P energy: -31.527
tors. eta vs tors. theta energy: -58.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -581.112576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.112576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.112576 (E_RNA)
where:
Base-Base interactions energy: -376.364
where: short stacking energy: -175.853
Base-Backbone interact. energy: -0.714
local terms energy: -204.035475
where:
bonds (distance) C4'-P energy: -41.198
bonds (distance) P-C4' energy: -40.403
flat angles C4'-P-C4' energy: -44.778
flat angles P-C4'-P energy: -29.749
tors. eta vs tors. theta energy: -47.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -582.532999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.532999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.532999 (E_RNA)
where:
Base-Base interactions energy: -389.858
where: short stacking energy: -164.893
Base-Backbone interact. energy: 0.029
local terms energy: -192.703694
where:
bonds (distance) C4'-P energy: -32.017
bonds (distance) P-C4' energy: -37.542
flat angles C4'-P-C4' energy: -44.167
flat angles P-C4'-P energy: -33.356
tors. eta vs tors. theta energy: -45.622
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: 5
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -565.490208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.490208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.490208 (E_RNA)
where:
Base-Base interactions energy: -393.962
where: short stacking energy: -169.373
Base-Backbone interact. energy: -1.114
local terms energy: -170.413907
where:
bonds (distance) C4'-P energy: -25.805
bonds (distance) P-C4' energy: -25.354
flat angles C4'-P-C4' energy: -39.289
flat angles P-C4'-P energy: -27.935
tors. eta vs tors. theta energy: -52.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -552.013828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.013828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.013828 (E_RNA)
where:
Base-Base interactions energy: -351.861
where: short stacking energy: -171.181
Base-Backbone interact. energy: -0.293
local terms energy: -199.859033
where:
bonds (distance) C4'-P energy: -35.254
bonds (distance) P-C4' energy: -38.628
flat angles C4'-P-C4' energy: -36.882
flat angles P-C4'-P energy: -32.958
tors. eta vs tors. theta energy: -56.138
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: 4
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -311.141807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.141807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.141807 (E_RNA)
where:
Base-Base interactions energy: -162.826
where: short stacking energy: -105.029
Base-Backbone interact. energy: -0.075
local terms energy: -148.240909
where:
bonds (distance) C4'-P energy: -34.240
bonds (distance) P-C4' energy: -37.348
flat angles C4'-P-C4' energy: -38.158
flat angles P-C4'-P energy: -18.248
tors. eta vs tors. theta energy: -20.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -233.080875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.080875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.080875 (E_RNA)
where:
Base-Base interactions energy: -108.433
where: short stacking energy: -71.677
Base-Backbone interact. energy: -1.683
local terms energy: -122.964822
where:
bonds (distance) C4'-P energy: -38.418
bonds (distance) P-C4' energy: -32.152
flat angles C4'-P-C4' energy: -26.554
flat angles P-C4'-P energy: -21.649
tors. eta vs tors. theta energy: -4.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -248.297710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.297710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.297710 (E_RNA)
where:
Base-Base interactions energy: -129.388
where: short stacking energy: -70.616
Base-Backbone interact. energy: -1.482
local terms energy: -117.427267
where:
bonds (distance) C4'-P energy: -27.663
bonds (distance) P-C4' energy: -34.600
flat angles C4'-P-C4' energy: -27.097
flat angles P-C4'-P energy: -15.341
tors. eta vs tors. theta energy: -12.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -191.190982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.190982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.190982 (E_RNA)
where:
Base-Base interactions energy: -66.455
where: short stacking energy: -56.227
Base-Backbone interact. energy: -1.077
local terms energy: -123.658269
where:
bonds (distance) C4'-P energy: -30.737
bonds (distance) P-C4' energy: -34.628
flat angles C4'-P-C4' energy: -34.863
flat angles P-C4'-P energy: -27.406
tors. eta vs tors. theta energy: 3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -689.012629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.012629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.012629 (E_RNA)
where:
Base-Base interactions energy: -466.946
where: short stacking energy: -197.695
Base-Backbone interact. energy: -0.949
local terms energy: -221.118122
where:
bonds (distance) C4'-P energy: -39.869
bonds (distance) P-C4' energy: -34.788
flat angles C4'-P-C4' energy: -47.695
flat angles P-C4'-P energy: -31.723
tors. eta vs tors. theta energy: -67.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -620.703745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.703745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.703745 (E_RNA)
where:
Base-Base interactions energy: -423.383
where: short stacking energy: -173.191
Base-Backbone interact. energy: -2.011
local terms energy: -195.309833
where:
bonds (distance) C4'-P energy: -32.706
bonds (distance) P-C4' energy: -31.528
flat angles C4'-P-C4' energy: -45.420
flat angles P-C4'-P energy: -28.305
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: 3, replica: 7
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -615.294545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.294545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.294545 (E_RNA)
where:
Base-Base interactions energy: -411.628
where: short stacking energy: -192.746
Base-Backbone interact. energy: -0.088
local terms energy: -203.578854
where:
bonds (distance) C4'-P energy: -36.785
bonds (distance) P-C4' energy: -35.960
flat angles C4'-P-C4' energy: -44.874
flat angles P-C4'-P energy: -26.133
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: 4, replica: 5
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -570.490921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.490921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.490921 (E_RNA)
where:
Base-Base interactions energy: -383.680
where: short stacking energy: -160.023
Base-Backbone interact. energy: -0.524
local terms energy: -186.286664
where:
bonds (distance) C4'-P energy: -26.246
bonds (distance) P-C4' energy: -46.775
flat angles C4'-P-C4' energy: -33.324
flat angles P-C4'-P energy: -27.391
tors. eta vs tors. theta energy: -52.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -550.971915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.971915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.971915 (E_RNA)
where:
Base-Base interactions energy: -360.642
where: short stacking energy: -147.839
Base-Backbone interact. energy: -0.573
local terms energy: -189.756639
where:
bonds (distance) C4'-P energy: -40.246
bonds (distance) P-C4' energy: -43.776
flat angles C4'-P-C4' energy: -34.962
flat angles P-C4'-P energy: -32.016
tors. eta vs tors. theta energy: -38.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -552.290613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.290613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.290613 (E_RNA)
where:
Base-Base interactions energy: -350.375
where: short stacking energy: -162.621
Base-Backbone interact. energy: -0.918
local terms energy: -200.996953
where:
bonds (distance) C4'-P energy: -38.600
bonds (distance) P-C4' energy: -39.613
flat angles C4'-P-C4' energy: -40.662
flat angles P-C4'-P energy: -32.416
tors. eta vs tors. theta energy: -49.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -319.465191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.465191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.465191 (E_RNA)
where:
Base-Base interactions energy: -169.721
where: short stacking energy: -93.203
Base-Backbone interact. energy: -0.334
local terms energy: -149.409610
where:
bonds (distance) C4'-P energy: -38.504
bonds (distance) P-C4' energy: -34.090
flat angles C4'-P-C4' energy: -42.083
flat angles P-C4'-P energy: -18.821
tors. eta vs tors. theta energy: -15.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -233.694082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.694082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.694082 (E_RNA)
where:
Base-Base interactions energy: -99.412
where: short stacking energy: -62.471
Base-Backbone interact. energy: 5.149
local terms energy: -139.431051
where:
bonds (distance) C4'-P energy: -35.844
bonds (distance) P-C4' energy: -39.678
flat angles C4'-P-C4' energy: -35.309
flat angles P-C4'-P energy: -19.276
tors. eta vs tors. theta energy: -9.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -193.260554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.260554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.260554 (E_RNA)
where:
Base-Base interactions energy: -74.622
where: short stacking energy: -52.377
Base-Backbone interact. energy: -1.042
local terms energy: -117.597021
where:
bonds (distance) C4'-P energy: -31.497
bonds (distance) P-C4' energy: -34.087
flat angles C4'-P-C4' energy: -36.232
flat angles P-C4'-P energy: -19.015
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: 10, replica: 8
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -201.476727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.476727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.476727 (E_RNA)
where:
Base-Base interactions energy: -83.379
where: short stacking energy: -65.793
Base-Backbone interact. energy: -0.998
local terms energy: -117.099653
where:
bonds (distance) C4'-P energy: -35.531
bonds (distance) P-C4' energy: -39.538
flat angles C4'-P-C4' energy: -29.333
flat angles P-C4'-P energy: -16.672
tors. eta vs tors. theta energy: 3.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -679.068595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.068595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.068595 (E_RNA)
where:
Base-Base interactions energy: -463.625
where: short stacking energy: -191.489
Base-Backbone interact. energy: 0.167
local terms energy: -215.611029
where:
bonds (distance) C4'-P energy: -39.455
bonds (distance) P-C4' energy: -36.418
flat angles C4'-P-C4' energy: -45.091
flat angles P-C4'-P energy: -29.911
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: 3
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -637.272631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.272631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.272631 (E_RNA)
where:
Base-Base interactions energy: -431.280
where: short stacking energy: -175.068
Base-Backbone interact. energy: -0.270
local terms energy: -205.722486
where:
bonds (distance) C4'-P energy: -41.461
bonds (distance) P-C4' energy: -36.665
flat angles C4'-P-C4' energy: -44.111
flat angles P-C4'-P energy: -20.781
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: 3, replica: 7
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -619.310435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.310435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.310435 (E_RNA)
where:
Base-Base interactions energy: -405.723
where: short stacking energy: -187.283
Base-Backbone interact. energy: -0.570
local terms energy: -213.017519
where:
bonds (distance) C4'-P energy: -39.749
bonds (distance) P-C4' energy: -43.103
flat angles C4'-P-C4' energy: -45.512
flat angles P-C4'-P energy: -28.768
tors. eta vs tors. theta energy: -55.885
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: 288
Temperature: 1.050000
Total energy: -558.381101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.381101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.381101 (E_RNA)
where:
Base-Base interactions energy: -362.385
where: short stacking energy: -142.133
Base-Backbone interact. energy: -2.186
local terms energy: -193.810535
where:
bonds (distance) C4'-P energy: -37.827
bonds (distance) P-C4' energy: -35.688
flat angles C4'-P-C4' energy: -45.495
flat angles P-C4'-P energy: -34.407
tors. eta vs tors. theta energy: -40.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -562.538541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.538541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.538541 (E_RNA)
where:
Base-Base interactions energy: -356.106
where: short stacking energy: -176.226
Base-Backbone interact. energy: 0.892
local terms energy: -207.325032
where:
bonds (distance) C4'-P energy: -35.112
bonds (distance) P-C4' energy: -36.877
flat angles C4'-P-C4' energy: -47.235
flat angles P-C4'-P energy: -28.970
tors. eta vs tors. theta energy: -59.131
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: 288
Temperature: 1.150000
Total energy: -578.383467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.383467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.383467 (E_RNA)
where:
Base-Base interactions energy: -405.239
where: short stacking energy: -175.740
Base-Backbone interact. energy: -1.817
local terms energy: -171.327281
where:
bonds (distance) C4'-P energy: -27.473
bonds (distance) P-C4' energy: -22.767
flat angles C4'-P-C4' energy: -44.494
flat angles P-C4'-P energy: -28.971
tors. eta vs tors. theta energy: -47.623
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: 4
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -315.885020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.885020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.885020 (E_RNA)
where:
Base-Base interactions energy: -168.124
where: short stacking energy: -91.269
Base-Backbone interact. energy: -1.448
local terms energy: -146.312684
where:
bonds (distance) C4'-P energy: -22.703
bonds (distance) P-C4' energy: -36.072
flat angles C4'-P-C4' energy: -42.342
flat angles P-C4'-P energy: -18.710
tors. eta vs tors. theta energy: -26.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -210.477836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.477836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.477836 (E_RNA)
where:
Base-Base interactions energy: -68.936
where: short stacking energy: -58.073
Base-Backbone interact. energy: -0.350
local terms energy: -141.192127
where:
bonds (distance) C4'-P energy: -37.753
bonds (distance) P-C4' energy: -34.860
flat angles C4'-P-C4' energy: -38.113
flat angles P-C4'-P energy: -16.713
tors. eta vs tors. theta energy: -13.752
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: 8
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -183.227942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.227942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.227942 (E_RNA)
where:
Base-Base interactions energy: -66.433
where: short stacking energy: -44.496
Base-Backbone interact. energy: -0.625
local terms energy: -116.170331
where:
bonds (distance) C4'-P energy: -34.850
bonds (distance) P-C4' energy: -35.587
flat angles C4'-P-C4' energy: -36.010
flat angles P-C4'-P energy: -16.340
tors. eta vs tors. theta energy: 6.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -163.577024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.577024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.577024 (E_RNA)
where:
Base-Base interactions energy: -70.863
where: short stacking energy: -56.224
Base-Backbone interact. energy: 0.083
local terms energy: -92.796184
where:
bonds (distance) C4'-P energy: -27.216
bonds (distance) P-C4' energy: -36.726
flat angles C4'-P-C4' energy: -25.886
flat angles P-C4'-P energy: -6.656
tors. eta vs tors. theta energy: 3.688
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: 1, replica: 9
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -676.439381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.439381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.439381 (E_RNA)
where:
Base-Base interactions energy: -458.700
where: short stacking energy: -192.020
Base-Backbone interact. energy: -0.825
local terms energy: -216.914281
where:
bonds (distance) C4'-P energy: -34.432
bonds (distance) P-C4' energy: -43.315
flat angles C4'-P-C4' energy: -49.734
flat angles P-C4'-P energy: -27.429
tors. eta vs tors. theta energy: -62.004
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: 7
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -625.380260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.380260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.380260 (E_RNA)
where:
Base-Base interactions energy: -416.169
where: short stacking energy: -193.158
Base-Backbone interact. energy: -0.515
local terms energy: -208.696928
where:
bonds (distance) C4'-P energy: -33.500
bonds (distance) P-C4' energy: -38.328
flat angles C4'-P-C4' energy: -50.413
flat angles P-C4'-P energy: -30.088
tors. eta vs tors. theta energy: -56.368
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: 3
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -622.723179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.723179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.723179 (E_RNA)
where:
Base-Base interactions energy: -407.231
where: short stacking energy: -181.278
Base-Backbone interact. energy: -0.687
local terms energy: -214.805214
where:
bonds (distance) C4'-P energy: -45.633
bonds (distance) P-C4' energy: -36.800
flat angles C4'-P-C4' energy: -40.166
flat angles P-C4'-P energy: -32.809
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: 4, replica: 2
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -577.754492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.754492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.754492 (E_RNA)
where:
Base-Base interactions energy: -369.404
where: short stacking energy: -187.273
Base-Backbone interact. energy: -0.787
local terms energy: -207.564064
where:
bonds (distance) C4'-P energy: -35.957
bonds (distance) P-C4' energy: -46.975
flat angles C4'-P-C4' energy: -41.738
flat angles P-C4'-P energy: -26.936
tors. eta vs tors. theta energy: -55.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -542.233335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.233335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.233335 (E_RNA)
where:
Base-Base interactions energy: -352.170
where: short stacking energy: -155.228
Base-Backbone interact. energy: -0.304
local terms energy: -189.759398
where:
bonds (distance) C4'-P energy: -34.468
bonds (distance) P-C4' energy: -40.166
flat angles C4'-P-C4' energy: -42.837
flat angles P-C4'-P energy: -29.771
tors. eta vs tors. theta energy: -42.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -564.466359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.466359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.466359 (E_RNA)
where:
Base-Base interactions energy: -366.499
where: short stacking energy: -151.876
Base-Backbone interact. energy: -0.533
local terms energy: -197.434596
where:
bonds (distance) C4'-P energy: -40.354
bonds (distance) P-C4' energy: -43.169
flat angles C4'-P-C4' energy: -39.844
flat angles P-C4'-P energy: -29.784
tors. eta vs tors. theta energy: -44.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -324.710757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.710757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.710757 (E_RNA)
where:
Base-Base interactions energy: -184.271
where: short stacking energy: -90.026
Base-Backbone interact. energy: -0.193
local terms energy: -140.247085
where:
bonds (distance) C4'-P energy: -35.863
bonds (distance) P-C4' energy: -37.916
flat angles C4'-P-C4' energy: -26.900
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -25.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -194.057782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.057782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.057782 (E_RNA)
where:
Base-Base interactions energy: -63.923
where: short stacking energy: -56.194
Base-Backbone interact. energy: -0.333
local terms energy: -129.801825
where:
bonds (distance) C4'-P energy: -30.478
bonds (distance) P-C4' energy: -35.320
flat angles C4'-P-C4' energy: -33.377
flat angles P-C4'-P energy: -26.776
tors. eta vs tors. theta energy: -3.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -192.570095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.570095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.570095 (E_RNA)
where:
Base-Base interactions energy: -69.862
where: short stacking energy: -57.015
Base-Backbone interact. energy: -0.480
local terms energy: -122.227377
where:
bonds (distance) C4'-P energy: -31.540
bonds (distance) P-C4' energy: -38.158
flat angles C4'-P-C4' energy: -30.804
flat angles P-C4'-P energy: -19.688
tors. eta vs tors. theta energy: -2.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -171.069376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.069376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.069376 (E_RNA)
where:
Base-Base interactions energy: -62.332
where: short stacking energy: -60.065
Base-Backbone interact. energy: 1.056
local terms energy: -109.793166
where:
bonds (distance) C4'-P energy: -37.814
bonds (distance) P-C4' energy: -30.064
flat angles C4'-P-C4' energy: -22.644
flat angles P-C4'-P energy: -19.026
tors. eta vs tors. theta energy: -0.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -672.723272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.723272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.723272 (E_RNA)
where:
Base-Base interactions energy: -465.450
where: short stacking energy: -191.858
Base-Backbone interact. energy: -0.361
local terms energy: -206.912453
where:
bonds (distance) C4'-P energy: -40.817
bonds (distance) P-C4' energy: -39.969
flat angles C4'-P-C4' energy: -41.926
flat angles P-C4'-P energy: -22.631
tors. eta vs tors. theta energy: -61.570
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: 7
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -612.359204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.359204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.359204 (E_RNA)
where:
Base-Base interactions energy: -403.007
where: short stacking energy: -188.762
Base-Backbone interact. energy: -0.263
local terms energy: -209.088802
where:
bonds (distance) C4'-P energy: -45.191
bonds (distance) P-C4' energy: -36.073
flat angles C4'-P-C4' energy: -42.061
flat angles P-C4'-P energy: -31.315
tors. eta vs tors. theta energy: -54.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -633.986248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.986248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.986248 (E_RNA)
where:
Base-Base interactions energy: -422.932
where: short stacking energy: -175.097
Base-Backbone interact. energy: -0.107
local terms energy: -210.947688
where:
bonds (distance) C4'-P energy: -33.869
bonds (distance) P-C4' energy: -40.784
flat angles C4'-P-C4' energy: -41.082
flat angles P-C4'-P energy: -36.644
tors. eta vs tors. theta energy: -58.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -578.127404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.127404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.127404 (E_RNA)
where:
Base-Base interactions energy: -373.929
where: short stacking energy: -163.996
Base-Backbone interact. energy: -0.639
local terms energy: -203.559433
where:
bonds (distance) C4'-P energy: -41.285
bonds (distance) P-C4' energy: -35.802
flat angles C4'-P-C4' energy: -42.019
flat angles P-C4'-P energy: -29.067
tors. eta vs tors. theta energy: -55.386
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: 1
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -581.943166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.943166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.943166 (E_RNA)
where:
Base-Base interactions energy: -393.629
where: short stacking energy: -168.941
Base-Backbone interact. energy: 1.159
local terms energy: -189.473139
where:
bonds (distance) C4'-P energy: -39.378
bonds (distance) P-C4' energy: -31.149
flat angles C4'-P-C4' energy: -41.468
flat angles P-C4'-P energy: -30.108
tors. eta vs tors. theta energy: -47.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -538.829577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.829577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.829577 (E_RNA)
where:
Base-Base interactions energy: -359.257
where: short stacking energy: -172.153
Base-Backbone interact. energy: 3.640
local terms energy: -183.212621
where:
bonds (distance) C4'-P energy: -31.302
bonds (distance) P-C4' energy: -33.403
flat angles C4'-P-C4' energy: -41.810
flat angles P-C4'-P energy: -25.983
tors. eta vs tors. theta energy: -50.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -299.459063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.459063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.459063 (E_RNA)
where:
Base-Base interactions energy: -157.335
where: short stacking energy: -91.974
Base-Backbone interact. energy: -0.458
local terms energy: -141.666034
where:
bonds (distance) C4'-P energy: -44.314
bonds (distance) P-C4' energy: -34.597
flat angles C4'-P-C4' energy: -34.536
flat angles P-C4'-P energy: -20.492
tors. eta vs tors. theta energy: -7.727
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: 8
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -183.596585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.596585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.596585 (E_RNA)
where:
Base-Base interactions energy: -60.105
where: short stacking energy: -42.945
Base-Backbone interact. energy: -1.094
local terms energy: -122.397074
where:
bonds (distance) C4'-P energy: -36.689
bonds (distance) P-C4' energy: -37.284
flat angles C4'-P-C4' energy: -28.433
flat angles P-C4'-P energy: -22.394
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: 9, replica: 6
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -199.216965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.216965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.216965 (E_RNA)
where:
Base-Base interactions energy: -70.184
where: short stacking energy: -67.348
Base-Backbone interact. energy: -1.161
local terms energy: -127.871820
where:
bonds (distance) C4'-P energy: -34.883
bonds (distance) P-C4' energy: -41.523
flat angles C4'-P-C4' energy: -24.710
flat angles P-C4'-P energy: -24.263
tors. eta vs tors. theta energy: -2.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -178.069620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.069620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.069620 (E_RNA)
where:
Base-Base interactions energy: -67.395
where: short stacking energy: -58.405
Base-Backbone interact. energy: -1.410
local terms energy: -109.264684
where:
bonds (distance) C4'-P energy: -39.523
bonds (distance) P-C4' energy: -43.104
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: 3.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -671.486151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.486151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.486151 (E_RNA)
where:
Base-Base interactions energy: -460.224
where: short stacking energy: -187.521
Base-Backbone interact. energy: -0.348
local terms energy: -210.914073
where:
bonds (distance) C4'-P energy: -40.312
bonds (distance) P-C4' energy: -36.453
flat angles C4'-P-C4' energy: -47.920
flat angles P-C4'-P energy: -25.947
tors. eta vs tors. theta energy: -60.282
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: 7
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -628.395185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.395185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.395185 (E_RNA)
where:
Base-Base interactions energy: -408.633
where: short stacking energy: -202.729
Base-Backbone interact. energy: -0.307
local terms energy: -219.455297
where:
bonds (distance) C4'-P energy: -44.339
bonds (distance) P-C4' energy: -40.713
flat angles C4'-P-C4' energy: -42.859
flat angles P-C4'-P energy: -29.191
tors. eta vs tors. theta energy: -62.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -604.813100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.813100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.813100 (E_RNA)
where:
Base-Base interactions energy: -401.677
where: short stacking energy: -174.719
Base-Backbone interact. energy: -0.924
local terms energy: -202.212108
where:
bonds (distance) C4'-P energy: -37.328
bonds (distance) P-C4' energy: -39.778
flat angles C4'-P-C4' energy: -40.066
flat angles P-C4'-P energy: -30.600
tors. eta vs tors. theta energy: -54.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -571.691757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.691757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.691757 (E_RNA)
where:
Base-Base interactions energy: -371.511
where: short stacking energy: -180.915
Base-Backbone interact. energy: -0.362
local terms energy: -199.818772
where:
bonds (distance) C4'-P energy: -34.329
bonds (distance) P-C4' energy: -35.440
flat angles C4'-P-C4' energy: -42.901
flat angles P-C4'-P energy: -29.801
tors. eta vs tors. theta energy: -57.349
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: 5, replica: 1
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -583.727867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.727867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.727867 (E_RNA)
where:
Base-Base interactions energy: -395.265
where: short stacking energy: -175.485
Base-Backbone interact. energy: -2.142
local terms energy: -186.320515
where:
bonds (distance) C4'-P energy: -37.011
bonds (distance) P-C4' energy: -29.314
flat angles C4'-P-C4' energy: -40.468
flat angles P-C4'-P energy: -25.748
tors. eta vs tors. theta energy: -53.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -541.943257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.943257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.943257 (E_RNA)
where:
Base-Base interactions energy: -370.671
where: short stacking energy: -151.347
Base-Backbone interact. energy: 1.238
local terms energy: -172.510897
where:
bonds (distance) C4'-P energy: -26.028
bonds (distance) P-C4' energy: -41.819
flat angles C4'-P-C4' energy: -39.937
flat angles P-C4'-P energy: -26.092
tors. eta vs tors. theta energy: -38.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -319.793959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.793959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.793959 (E_RNA)
where:
Base-Base interactions energy: -171.086
where: short stacking energy: -93.942
Base-Backbone interact. energy: -0.271
local terms energy: -148.436971
where:
bonds (distance) C4'-P energy: -36.104
bonds (distance) P-C4' energy: -42.163
flat angles C4'-P-C4' energy: -39.698
flat angles P-C4'-P energy: -16.694
tors. eta vs tors. theta energy: -13.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -197.427409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.427409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.427409 (E_RNA)
where:
Base-Base interactions energy: -78.856
where: short stacking energy: -70.227
Base-Backbone interact. energy: -0.237
local terms energy: -118.334783
where:
bonds (distance) C4'-P energy: -33.837
bonds (distance) P-C4' energy: -23.217
flat angles C4'-P-C4' energy: -29.025
flat angles P-C4'-P energy: -21.047
tors. eta vs tors. theta energy: -11.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -189.970757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.970757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.970757 (E_RNA)
where:
Base-Base interactions energy: -63.550
where: short stacking energy: -47.062
Base-Backbone interact. energy: 0.307
local terms energy: -126.727487
where:
bonds (distance) C4'-P energy: -33.101
bonds (distance) P-C4' energy: -41.274
flat angles C4'-P-C4' energy: -28.132
flat angles P-C4'-P energy: -19.370
tors. eta vs tors. theta energy: -4.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -175.395653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.395653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.395653 (E_RNA)
where:
Base-Base interactions energy: -52.928
where: short stacking energy: -39.134
Base-Backbone interact. energy: 2.868
local terms energy: -125.335642
where:
bonds (distance) C4'-P energy: -39.275
bonds (distance) P-C4' energy: -35.628
flat angles C4'-P-C4' energy: -29.324
flat angles P-C4'-P energy: -19.340
tors. eta vs tors. theta energy: -1.770
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: 1, replica: 7
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -634.824510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.824510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.824510 (E_RNA)
where:
Base-Base interactions energy: -419.363
where: short stacking energy: -195.308
Base-Backbone interact. energy: -0.342
local terms energy: -215.119152
where:
bonds (distance) C4'-P energy: -27.259
bonds (distance) P-C4' energy: -41.082
flat angles C4'-P-C4' energy: -47.316
flat angles P-C4'-P energy: -34.828
tors. eta vs tors. theta energy: -64.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -658.356697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.356697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.356697 (E_RNA)
where:
Base-Base interactions energy: -451.388
where: short stacking energy: -186.018
Base-Backbone interact. energy: -0.487
local terms energy: -206.481498
where:
bonds (distance) C4'-P energy: -40.704
bonds (distance) P-C4' energy: -35.906
flat angles C4'-P-C4' energy: -42.183
flat angles P-C4'-P energy: -26.760
tors. eta vs tors. theta energy: -60.929
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: 292
Temperature: 1.000000
Total energy: -610.346198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.346198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.346198 (E_RNA)
where:
Base-Base interactions energy: -413.422
where: short stacking energy: -170.763
Base-Backbone interact. energy: -0.406
local terms energy: -196.518166
where:
bonds (distance) C4'-P energy: -38.514
bonds (distance) P-C4' energy: -29.681
flat angles C4'-P-C4' energy: -41.519
flat angles P-C4'-P energy: -28.528
tors. eta vs tors. theta energy: -58.276
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: 4, replica: 2
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -580.459138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.459138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.459138 (E_RNA)
where:
Base-Base interactions energy: -385.257
where: short stacking energy: -182.871
Base-Backbone interact. energy: -1.089
local terms energy: -194.113971
where:
bonds (distance) C4'-P energy: -33.648
bonds (distance) P-C4' energy: -34.949
flat angles C4'-P-C4' energy: -45.338
flat angles P-C4'-P energy: -31.120
tors. eta vs tors. theta energy: -49.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -555.309567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.309567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.309567 (E_RNA)
where:
Base-Base interactions energy: -370.547
where: short stacking energy: -157.528
Base-Backbone interact. energy: -3.363
local terms energy: -181.400313
where:
bonds (distance) C4'-P energy: -28.107
bonds (distance) P-C4' energy: -39.889
flat angles C4'-P-C4' energy: -38.869
flat angles P-C4'-P energy: -29.243
tors. eta vs tors. theta energy: -45.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -536.107452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.107452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.107452 (E_RNA)
where:
Base-Base interactions energy: -351.029
where: short stacking energy: -165.442
Base-Backbone interact. energy: -2.456
local terms energy: -182.623021
where:
bonds (distance) C4'-P energy: -34.539
bonds (distance) P-C4' energy: -38.586
flat angles C4'-P-C4' energy: -37.618
flat angles P-C4'-P energy: -22.541
tors. eta vs tors. theta energy: -49.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -392.754088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.754088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.754088 (E_RNA)
where:
Base-Base interactions energy: -247.806
where: short stacking energy: -103.915
Base-Backbone interact. energy: 0.464
local terms energy: -145.411717
where:
bonds (distance) C4'-P energy: -33.576
bonds (distance) P-C4' energy: -32.870
flat angles C4'-P-C4' energy: -33.084
flat angles P-C4'-P energy: -19.631
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: 6
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -216.354780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.354780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.354780 (E_RNA)
where:
Base-Base interactions energy: -86.135
where: short stacking energy: -60.288
Base-Backbone interact. energy: -0.454
local terms energy: -129.766429
where:
bonds (distance) C4'-P energy: -33.364
bonds (distance) P-C4' energy: -38.775
flat angles C4'-P-C4' energy: -29.948
flat angles P-C4'-P energy: -20.906
tors. eta vs tors. theta energy: -6.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -193.215186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.215186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.215186 (E_RNA)
where:
Base-Base interactions energy: -79.236
where: short stacking energy: -57.624
Base-Backbone interact. energy: -0.546
local terms energy: -113.433053
where:
bonds (distance) C4'-P energy: -40.572
bonds (distance) P-C4' energy: -32.646
flat angles C4'-P-C4' energy: -31.385
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: 2.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -168.681747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.681747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.681747 (E_RNA)
where:
Base-Base interactions energy: -43.749
where: short stacking energy: -43.594
Base-Backbone interact. energy: -0.052
local terms energy: -124.880662
where:
bonds (distance) C4'-P energy: -36.022
bonds (distance) P-C4' energy: -34.105
flat angles C4'-P-C4' energy: -32.166
flat angles P-C4'-P energy: -16.670
tors. eta vs tors. theta energy: -5.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -642.525890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.525890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.525890 (E_RNA)
where:
Base-Base interactions energy: -428.201
where: short stacking energy: -192.368
Base-Backbone interact. energy: -0.222
local terms energy: -214.103007
where:
bonds (distance) C4'-P energy: -41.319
bonds (distance) P-C4' energy: -43.896
flat angles C4'-P-C4' energy: -38.400
flat angles P-C4'-P energy: -34.448
tors. eta vs tors. theta energy: -56.041
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: 2, replica: 9
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -670.436563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.436563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.436563 (E_RNA)
where:
Base-Base interactions energy: -462.173
where: short stacking energy: -182.637
Base-Backbone interact. energy: -0.229
local terms energy: -208.034395
where:
bonds (distance) C4'-P energy: -33.715
bonds (distance) P-C4' energy: -41.686
flat angles C4'-P-C4' energy: -42.494
flat angles P-C4'-P energy: -35.624
tors. eta vs tors. theta energy: -54.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -618.990830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.990830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.990830 (E_RNA)
where:
Base-Base interactions energy: -411.791
where: short stacking energy: -181.971
Base-Backbone interact. energy: -1.782
local terms energy: -205.417805
where:
bonds (distance) C4'-P energy: -31.941
bonds (distance) P-C4' energy: -41.074
flat angles C4'-P-C4' energy: -43.065
flat angles P-C4'-P energy: -33.464
tors. eta vs tors. theta energy: -55.874
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: 293
Temperature: 1.050000
Total energy: -568.696882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.696882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.696882 (E_RNA)
where:
Base-Base interactions energy: -361.946
where: short stacking energy: -177.814
Base-Backbone interact. energy: 2.076
local terms energy: -208.826271
where:
bonds (distance) C4'-P energy: -36.615
bonds (distance) P-C4' energy: -43.641
flat angles C4'-P-C4' energy: -42.710
flat angles P-C4'-P energy: -30.205
tors. eta vs tors. theta energy: -55.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -552.900088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.900088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.900088 (E_RNA)
where:
Base-Base interactions energy: -379.301
where: short stacking energy: -154.706
Base-Backbone interact. energy: -0.424
local terms energy: -173.175349
where:
bonds (distance) C4'-P energy: -36.739
bonds (distance) P-C4' energy: -32.958
flat angles C4'-P-C4' energy: -36.785
flat angles P-C4'-P energy: -21.038
tors. eta vs tors. theta energy: -45.655
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: 1
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -570.591712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.591712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.591712 (E_RNA)
where:
Base-Base interactions energy: -389.310
where: short stacking energy: -177.651
Base-Backbone interact. energy: -0.164
local terms energy: -181.117799
where:
bonds (distance) C4'-P energy: -35.573
bonds (distance) P-C4' energy: -28.954
flat angles C4'-P-C4' energy: -38.016
flat angles P-C4'-P energy: -27.308
tors. eta vs tors. theta energy: -51.267
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: 7, replica: 4
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -429.234805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.234805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.234805 (E_RNA)
where:
Base-Base interactions energy: -267.948
where: short stacking energy: -135.014
Base-Backbone interact. energy: -0.575
local terms energy: -160.711908
where:
bonds (distance) C4'-P energy: -36.285
bonds (distance) P-C4' energy: -37.581
flat angles C4'-P-C4' energy: -33.084
flat angles P-C4'-P energy: -23.462
tors. eta vs tors. theta energy: -30.300
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: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -199.353371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.353371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.353371 (E_RNA)
where:
Base-Base interactions energy: -69.212
where: short stacking energy: -51.124
Base-Backbone interact. energy: 0.125
local terms energy: -130.266612
where:
bonds (distance) C4'-P energy: -32.021
bonds (distance) P-C4' energy: -40.263
flat angles C4'-P-C4' energy: -27.761
flat angles P-C4'-P energy: -27.295
tors. eta vs tors. theta energy: -2.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -183.556721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.556721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.556721 (E_RNA)
where:
Base-Base interactions energy: -71.821
where: short stacking energy: -55.385
Base-Backbone interact. energy: -0.707
local terms energy: -111.028781
where:
bonds (distance) C4'-P energy: -30.354
bonds (distance) P-C4' energy: -35.366
flat angles C4'-P-C4' energy: -26.984
flat angles P-C4'-P energy: -21.149
tors. eta vs tors. theta energy: 2.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -178.714104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.714104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.714104 (E_RNA)
where:
Base-Base interactions energy: -58.673
where: short stacking energy: -57.088
Base-Backbone interact. energy: -0.165
local terms energy: -119.875930
where:
bonds (distance) C4'-P energy: -37.712
bonds (distance) P-C4' energy: -23.586
flat angles C4'-P-C4' energy: -30.868
flat angles P-C4'-P energy: -24.174
tors. eta vs tors. theta energy: -3.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -680.509530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.509530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.509530 (E_RNA)
where:
Base-Base interactions energy: -476.355
where: short stacking energy: -181.795
Base-Backbone interact. energy: -0.475
local terms energy: -203.679633
where:
bonds (distance) C4'-P energy: -35.910
bonds (distance) P-C4' energy: -36.677
flat angles C4'-P-C4' energy: -41.032
flat angles P-C4'-P energy: -32.569
tors. eta vs tors. theta energy: -57.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -635.552260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.552260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.552260 (E_RNA)
where:
Base-Base interactions energy: -404.018
where: short stacking energy: -196.811
Base-Backbone interact. energy: -2.005
local terms energy: -229.529636
where:
bonds (distance) C4'-P energy: -43.022
bonds (distance) P-C4' energy: -43.801
flat angles C4'-P-C4' energy: -48.328
flat angles P-C4'-P energy: -33.146
tors. eta vs tors. theta energy: -61.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -625.804295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.804295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.804295 (E_RNA)
where:
Base-Base interactions energy: -421.770
where: short stacking energy: -187.461
Base-Backbone interact. energy: -0.855
local terms energy: -203.178558
where:
bonds (distance) C4'-P energy: -38.212
bonds (distance) P-C4' energy: -34.262
flat angles C4'-P-C4' energy: -47.120
flat angles P-C4'-P energy: -28.723
tors. eta vs tors. theta energy: -54.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -575.490248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.490248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.490248 (E_RNA)
where:
Base-Base interactions energy: -357.353
where: short stacking energy: -173.273
Base-Backbone interact. energy: -1.333
local terms energy: -216.805025
where:
bonds (distance) C4'-P energy: -40.742
bonds (distance) P-C4' energy: -37.501
flat angles C4'-P-C4' energy: -47.268
flat angles P-C4'-P energy: -36.157
tors. eta vs tors. theta energy: -55.137
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: 294
Temperature: 1.100000
Total energy: -546.752493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.752493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.752493 (E_RNA)
where:
Base-Base interactions energy: -385.237
where: short stacking energy: -135.451
Base-Backbone interact. energy: -0.887
local terms energy: -160.628435
where:
bonds (distance) C4'-P energy: -27.858
bonds (distance) P-C4' energy: -40.852
flat angles C4'-P-C4' energy: -34.318
flat angles P-C4'-P energy: -22.372
tors. eta vs tors. theta energy: -35.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -566.501434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.501434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.501434 (E_RNA)
where:
Base-Base interactions energy: -388.466
where: short stacking energy: -176.131
Base-Backbone interact. energy: -0.559
local terms energy: -177.476369
where:
bonds (distance) C4'-P energy: -36.831
bonds (distance) P-C4' energy: -41.127
flat angles C4'-P-C4' energy: -33.165
flat angles P-C4'-P energy: -14.333
tors. eta vs tors. theta energy: -52.020
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: 4
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -446.635201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.635201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.635201 (E_RNA)
where:
Base-Base interactions energy: -290.098
where: short stacking energy: -140.536
Base-Backbone interact. energy: -0.223
local terms energy: -156.313645
where:
bonds (distance) C4'-P energy: -29.950
bonds (distance) P-C4' energy: -29.404
flat angles C4'-P-C4' energy: -32.301
flat angles P-C4'-P energy: -23.327
tors. eta vs tors. theta energy: -41.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -201.739695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.739695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.739695 (E_RNA)
where:
Base-Base interactions energy: -65.099
where: short stacking energy: -48.836
Base-Backbone interact. energy: -1.524
local terms energy: -135.116999
where:
bonds (distance) C4'-P energy: -30.716
bonds (distance) P-C4' energy: -34.979
flat angles C4'-P-C4' energy: -34.765
flat angles P-C4'-P energy: -20.277
tors. eta vs tors. theta energy: -14.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -194.267440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.267440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.267440 (E_RNA)
where:
Base-Base interactions energy: -65.045
where: short stacking energy: -60.720
Base-Backbone interact. energy: -0.149
local terms energy: -129.073633
where:
bonds (distance) C4'-P energy: -38.805
bonds (distance) P-C4' energy: -30.560
flat angles C4'-P-C4' energy: -30.745
flat angles P-C4'-P energy: -23.814
tors. eta vs tors. theta energy: -5.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -172.435813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.435813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.435813 (E_RNA)
where:
Base-Base interactions energy: -46.839
where: short stacking energy: -35.990
Base-Backbone interact. energy: -0.066
local terms energy: -125.530072
where:
bonds (distance) C4'-P energy: -38.022
bonds (distance) P-C4' energy: -37.914
flat angles C4'-P-C4' energy: -33.868
flat angles P-C4'-P energy: -19.979
tors. eta vs tors. theta energy: 4.252
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: 9
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -677.270657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.270657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.270657 (E_RNA)
where:
Base-Base interactions energy: -459.058
where: short stacking energy: -186.280
Base-Backbone interact. energy: -0.408
local terms energy: -217.805070
where:
bonds (distance) C4'-P energy: -43.535
bonds (distance) P-C4' energy: -40.733
flat angles C4'-P-C4' energy: -47.477
flat angles P-C4'-P energy: -26.272
tors. eta vs tors. theta energy: -59.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -630.576741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.576741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.576741 (E_RNA)
where:
Base-Base interactions energy: -436.523
where: short stacking energy: -170.364
Base-Backbone interact. energy: -0.861
local terms energy: -193.192204
where:
bonds (distance) C4'-P energy: -35.555
bonds (distance) P-C4' energy: -39.014
flat angles C4'-P-C4' energy: -42.130
flat angles P-C4'-P energy: -21.221
tors. eta vs tors. theta energy: -55.272
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: 3, replica: 7
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -615.347934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.347934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.347934 (E_RNA)
where:
Base-Base interactions energy: -412.907
where: short stacking energy: -198.132
Base-Backbone interact. energy: -0.410
local terms energy: -202.030293
where:
bonds (distance) C4'-P energy: -36.695
bonds (distance) P-C4' energy: -28.762
flat angles C4'-P-C4' energy: -48.344
flat angles P-C4'-P energy: -30.921
tors. eta vs tors. theta energy: -57.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -583.814184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.814184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.814184 (E_RNA)
where:
Base-Base interactions energy: -390.028
where: short stacking energy: -177.615
Base-Backbone interact. energy: -0.018
local terms energy: -193.767380
where:
bonds (distance) C4'-P energy: -30.883
bonds (distance) P-C4' energy: -41.380
flat angles C4'-P-C4' energy: -40.746
flat angles P-C4'-P energy: -27.290
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: 5
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -551.944163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.944163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.944163 (E_RNA)
where:
Base-Base interactions energy: -382.866
where: short stacking energy: -139.977
Base-Backbone interact. energy: -0.600
local terms energy: -168.478814
where:
bonds (distance) C4'-P energy: -40.238
bonds (distance) P-C4' energy: -31.653
flat angles C4'-P-C4' energy: -38.849
flat angles P-C4'-P energy: -23.879
tors. eta vs tors. theta energy: -33.860
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: 1
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -550.676914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.676914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.676914 (E_RNA)
where:
Base-Base interactions energy: -368.025
where: short stacking energy: -155.133
Base-Backbone interact. energy: -1.152
local terms energy: -181.500771
where:
bonds (distance) C4'-P energy: -28.890
bonds (distance) P-C4' energy: -44.640
flat angles C4'-P-C4' energy: -36.387
flat angles P-C4'-P energy: -29.434
tors. eta vs tors. theta energy: -42.150
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: 4
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -447.527193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.527193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.527193 (E_RNA)
where:
Base-Base interactions energy: -267.797
where: short stacking energy: -119.986
Base-Backbone interact. energy: 0.099
local terms energy: -179.829180
where:
bonds (distance) C4'-P energy: -41.599
bonds (distance) P-C4' energy: -42.206
flat angles C4'-P-C4' energy: -39.099
flat angles P-C4'-P energy: -20.964
tors. eta vs tors. theta energy: -35.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -223.656937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.656937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.656937 (E_RNA)
where:
Base-Base interactions energy: -97.121
where: short stacking energy: -66.506
Base-Backbone interact. energy: 1.180
local terms energy: -127.716221
where:
bonds (distance) C4'-P energy: -43.853
bonds (distance) P-C4' energy: -29.449
flat angles C4'-P-C4' energy: -28.431
flat angles P-C4'-P energy: -20.416
tors. eta vs tors. theta energy: -5.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -199.753574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.753574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.753574 (E_RNA)
where:
Base-Base interactions energy: -78.051
where: short stacking energy: -51.038
Base-Backbone interact. energy: 0.015
local terms energy: -121.717571
where:
bonds (distance) C4'-P energy: -34.656
bonds (distance) P-C4' energy: -28.714
flat angles C4'-P-C4' energy: -27.707
flat angles P-C4'-P energy: -21.608
tors. eta vs tors. theta energy: -9.033
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: 295
Temperature: 1.350000
Total energy: -180.370790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.370790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.370790 (E_RNA)
where:
Base-Base interactions energy: -63.978
where: short stacking energy: -61.298
Base-Backbone interact. energy: 2.621
local terms energy: -119.014172
where:
bonds (distance) C4'-P energy: -35.605
bonds (distance) P-C4' energy: -36.996
flat angles C4'-P-C4' energy: -25.517
flat angles P-C4'-P energy: -17.858
tors. eta vs tors. theta energy: -3.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -673.968451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.968451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.968451 (E_RNA)
where:
Base-Base interactions energy: -455.909
where: short stacking energy: -185.107
Base-Backbone interact. energy: -0.341
local terms energy: -217.718641
where:
bonds (distance) C4'-P energy: -40.067
bonds (distance) P-C4' energy: -42.173
flat angles C4'-P-C4' energy: -43.127
flat angles P-C4'-P energy: -32.586
tors. eta vs tors. theta energy: -59.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -631.209533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.209533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.209533 (E_RNA)
where:
Base-Base interactions energy: -421.412
where: short stacking energy: -174.000
Base-Backbone interact. energy: 1.720
local terms energy: -211.517224
where:
bonds (distance) C4'-P energy: -39.752
bonds (distance) P-C4' energy: -40.026
flat angles C4'-P-C4' energy: -42.801
flat angles P-C4'-P energy: -27.332
tors. eta vs tors. theta energy: -61.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -604.669018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.669018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.669018 (E_RNA)
where:
Base-Base interactions energy: -401.949
where: short stacking energy: -169.376
Base-Backbone interact. energy: 0.970
local terms energy: -203.689650
where:
bonds (distance) C4'-P energy: -35.443
bonds (distance) P-C4' energy: -44.422
flat angles C4'-P-C4' energy: -43.517
flat angles P-C4'-P energy: -30.955
tors. eta vs tors. theta energy: -49.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -591.795226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.795226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.795226 (E_RNA)
where:
Base-Base interactions energy: -400.222
where: short stacking energy: -171.407
Base-Backbone interact. energy: -0.198
local terms energy: -191.375709
where:
bonds (distance) C4'-P energy: -28.756
bonds (distance) P-C4' energy: -40.235
flat angles C4'-P-C4' energy: -40.326
flat angles P-C4'-P energy: -30.296
tors. eta vs tors. theta energy: -51.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -579.862714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.862714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.862714 (E_RNA)
where:
Base-Base interactions energy: -389.762
where: short stacking energy: -166.591
Base-Backbone interact. energy: 1.383
local terms energy: -191.484089
where:
bonds (distance) C4'-P energy: -38.327
bonds (distance) P-C4' energy: -37.016
flat angles C4'-P-C4' energy: -45.257
flat angles P-C4'-P energy: -25.536
tors. eta vs tors. theta energy: -45.347
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: 296
Temperature: 1.150000
Total energy: -542.291291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.291291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.291291 (E_RNA)
where:
Base-Base interactions energy: -375.853
where: short stacking energy: -148.085
Base-Backbone interact. energy: -0.510
local terms energy: -165.928606
where:
bonds (distance) C4'-P energy: -32.007
bonds (distance) P-C4' energy: -28.401
flat angles C4'-P-C4' energy: -35.710
flat angles P-C4'-P energy: -29.027
tors. eta vs tors. theta energy: -40.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -473.528249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.528249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.528249 (E_RNA)
where:
Base-Base interactions energy: -299.188
where: short stacking energy: -131.324
Base-Backbone interact. energy: -1.896
local terms energy: -172.444173
where:
bonds (distance) C4'-P energy: -32.432
bonds (distance) P-C4' energy: -34.799
flat angles C4'-P-C4' energy: -40.352
flat angles P-C4'-P energy: -25.283
tors. eta vs tors. theta energy: -39.578
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: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -252.726094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.726094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.726094 (E_RNA)
where:
Base-Base interactions energy: -126.536
where: short stacking energy: -64.855
Base-Backbone interact. energy: -0.880
local terms energy: -125.309853
where:
bonds (distance) C4'-P energy: -29.526
bonds (distance) P-C4' energy: -35.349
flat angles C4'-P-C4' energy: -29.105
flat angles P-C4'-P energy: -22.814
tors. eta vs tors. theta energy: -8.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -206.167674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.167674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.167674 (E_RNA)
where:
Base-Base interactions energy: -78.390
where: short stacking energy: -61.976
Base-Backbone interact. energy: -0.987
local terms energy: -126.790750
where:
bonds (distance) C4'-P energy: -33.268
bonds (distance) P-C4' energy: -28.322
flat angles C4'-P-C4' energy: -36.247
flat angles P-C4'-P energy: -23.909
tors. eta vs tors. theta energy: -5.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -162.662449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.662449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.662449 (E_RNA)
where:
Base-Base interactions energy: -45.772
where: short stacking energy: -44.489
Base-Backbone interact. energy: -0.952
local terms energy: -115.938541
where:
bonds (distance) C4'-P energy: -38.368
bonds (distance) P-C4' energy: -30.173
flat angles C4'-P-C4' energy: -31.108
flat angles P-C4'-P energy: -26.134
tors. eta vs tors. theta energy: 9.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -675.165504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.165504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.165504 (E_RNA)
where:
Base-Base interactions energy: -448.554
where: short stacking energy: -198.618
Base-Backbone interact. energy: -0.236
local terms energy: -226.376283
where:
bonds (distance) C4'-P energy: -43.900
bonds (distance) P-C4' energy: -43.272
flat angles C4'-P-C4' energy: -47.590
flat angles P-C4'-P energy: -28.271
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: 2, replica: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -636.285208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.285208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.285208 (E_RNA)
where:
Base-Base interactions energy: -433.056
where: short stacking energy: -176.863
Base-Backbone interact. energy: -1.467
local terms energy: -201.761933
where:
bonds (distance) C4'-P energy: -35.602
bonds (distance) P-C4' energy: -37.164
flat angles C4'-P-C4' energy: -43.802
flat angles P-C4'-P energy: -28.726
tors. eta vs tors. theta energy: -56.469
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: 7
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -623.981683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.981683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.981683 (E_RNA)
where:
Base-Base interactions energy: -405.126
where: short stacking energy: -188.524
Base-Backbone interact. energy: -0.686
local terms energy: -218.169928
where:
bonds (distance) C4'-P energy: -37.083
bonds (distance) P-C4' energy: -40.666
flat angles C4'-P-C4' energy: -44.965
flat angles P-C4'-P energy: -37.102
tors. eta vs tors. theta energy: -58.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -590.627665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.627665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.627665 (E_RNA)
where:
Base-Base interactions energy: -397.590
where: short stacking energy: -175.745
Base-Backbone interact. energy: -1.616
local terms energy: -191.421707
where:
bonds (distance) C4'-P energy: -36.133
bonds (distance) P-C4' energy: -34.939
flat angles C4'-P-C4' energy: -37.007
flat angles P-C4'-P energy: -29.573
tors. eta vs tors. theta energy: -53.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -592.979226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.979226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.979226 (E_RNA)
where:
Base-Base interactions energy: -390.430
where: short stacking energy: -185.349
Base-Backbone interact. energy: -0.542
local terms energy: -202.007394
where:
bonds (distance) C4'-P energy: -32.186
bonds (distance) P-C4' energy: -39.727
flat angles C4'-P-C4' energy: -44.623
flat angles P-C4'-P energy: -27.612
tors. eta vs tors. theta energy: -57.861
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: 5
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -527.538117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.538117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.538117 (E_RNA)
where:
Base-Base interactions energy: -357.916
where: short stacking energy: -138.026
Base-Backbone interact. energy: -0.580
local terms energy: -169.042144
where:
bonds (distance) C4'-P energy: -40.475
bonds (distance) P-C4' energy: -32.982
flat angles C4'-P-C4' energy: -40.206
flat angles P-C4'-P energy: -21.538
tors. eta vs tors. theta energy: -33.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -442.245477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.245477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.245477 (E_RNA)
where:
Base-Base interactions energy: -289.114
where: short stacking energy: -128.995
Base-Backbone interact. energy: -0.516
local terms energy: -152.614713
where:
bonds (distance) C4'-P energy: -35.800
bonds (distance) P-C4' energy: -37.149
flat angles C4'-P-C4' energy: -29.587
flat angles P-C4'-P energy: -20.445
tors. eta vs tors. theta energy: -29.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -194.875132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.875132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.875132 (E_RNA)
where:
Base-Base interactions energy: -78.850
where: short stacking energy: -64.042
Base-Backbone interact. energy: -1.111
local terms energy: -114.914165
where:
bonds (distance) C4'-P energy: -22.988
bonds (distance) P-C4' energy: -33.914
flat angles C4'-P-C4' energy: -29.833
flat angles P-C4'-P energy: -23.843
tors. eta vs tors. theta energy: -4.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -213.012274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.012274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.012274 (E_RNA)
where:
Base-Base interactions energy: -88.951
where: short stacking energy: -60.764
Base-Backbone interact. energy: 2.265
local terms energy: -126.326214
where:
bonds (distance) C4'-P energy: -41.134
bonds (distance) P-C4' energy: -24.888
flat angles C4'-P-C4' energy: -34.664
flat angles P-C4'-P energy: -21.840
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: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -177.353509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.353509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.353509 (E_RNA)
where:
Base-Base interactions energy: -52.930
where: short stacking energy: -43.667
Base-Backbone interact. energy: -0.974
local terms energy: -123.448885
where:
bonds (distance) C4'-P energy: -33.458
bonds (distance) P-C4' energy: -39.257
flat angles C4'-P-C4' energy: -25.203
flat angles P-C4'-P energy: -23.943
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: 1, replica: 9
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -663.182432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.182432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.182432 (E_RNA)
where:
Base-Base interactions energy: -452.307
where: short stacking energy: -173.611
Base-Backbone interact. energy: -1.597
local terms energy: -209.278351
where:
bonds (distance) C4'-P energy: -44.861
bonds (distance) P-C4' energy: -39.766
flat angles C4'-P-C4' energy: -40.820
flat angles P-C4'-P energy: -27.337
tors. eta vs tors. theta energy: -56.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -635.172821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.172821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.172821 (E_RNA)
where:
Base-Base interactions energy: -433.527
where: short stacking energy: -174.721
Base-Backbone interact. energy: 0.299
local terms energy: -201.945058
where:
bonds (distance) C4'-P energy: -40.930
bonds (distance) P-C4' energy: -32.769
flat angles C4'-P-C4' energy: -44.140
flat angles P-C4'-P energy: -32.214
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: 3, replica: 7
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -618.290445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.290445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.290445 (E_RNA)
where:
Base-Base interactions energy: -396.506
where: short stacking energy: -195.397
Base-Backbone interact. energy: -1.493
local terms energy: -220.291106
where:
bonds (distance) C4'-P energy: -39.351
bonds (distance) P-C4' energy: -42.363
flat angles C4'-P-C4' energy: -43.059
flat angles P-C4'-P energy: -33.223
tors. eta vs tors. theta energy: -62.296
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: 1
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -587.956800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.956800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.956800 (E_RNA)
where:
Base-Base interactions energy: -392.233
where: short stacking energy: -181.524
Base-Backbone interact. energy: -0.867
local terms energy: -194.856452
where:
bonds (distance) C4'-P energy: -40.043
bonds (distance) P-C4' energy: -37.925
flat angles C4'-P-C4' energy: -41.117
flat angles P-C4'-P energy: -28.305
tors. eta vs tors. theta energy: -47.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -579.873779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.873779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.873779 (E_RNA)
where:
Base-Base interactions energy: -386.750
where: short stacking energy: -182.764
Base-Backbone interact. energy: -0.238
local terms energy: -192.885594
where:
bonds (distance) C4'-P energy: -33.616
bonds (distance) P-C4' energy: -30.474
flat angles C4'-P-C4' energy: -41.271
flat angles P-C4'-P energy: -30.317
tors. eta vs tors. theta energy: -57.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -556.527605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.527605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.527605 (E_RNA)
where:
Base-Base interactions energy: -367.718
where: short stacking energy: -150.231
Base-Backbone interact. energy: -0.868
local terms energy: -187.942079
where:
bonds (distance) C4'-P energy: -37.149
bonds (distance) P-C4' energy: -35.460
flat angles C4'-P-C4' energy: -39.123
flat angles P-C4'-P energy: -31.080
tors. eta vs tors. theta energy: -45.130
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: 7, replica: 4
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -454.894360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.894360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.894360 (E_RNA)
where:
Base-Base interactions energy: -289.175
where: short stacking energy: -118.440
Base-Backbone interact. energy: -1.581
local terms energy: -164.137804
where:
bonds (distance) C4'-P energy: -34.216
bonds (distance) P-C4' energy: -38.881
flat angles C4'-P-C4' energy: -37.511
flat angles P-C4'-P energy: -19.923
tors. eta vs tors. theta energy: -33.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -193.566726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.566726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.566726 (E_RNA)
where:
Base-Base interactions energy: -63.413
where: short stacking energy: -49.477
Base-Backbone interact. energy: -0.802
local terms energy: -129.351724
where:
bonds (distance) C4'-P energy: -29.494
bonds (distance) P-C4' energy: -40.464
flat angles C4'-P-C4' energy: -37.043
flat angles P-C4'-P energy: -23.419
tors. eta vs tors. theta energy: 1.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -189.614224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.614224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.614224 (E_RNA)
where:
Base-Base interactions energy: -72.089
where: short stacking energy: -53.242
Base-Backbone interact. energy: 0.984
local terms energy: -118.508930
where:
bonds (distance) C4'-P energy: -31.770
bonds (distance) P-C4' energy: -30.881
flat angles C4'-P-C4' energy: -37.047
flat angles P-C4'-P energy: -21.100
tors. eta vs tors. theta energy: 2.289
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: 10
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -177.930601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.930601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.930601 (E_RNA)
where:
Base-Base interactions energy: -56.016
where: short stacking energy: -28.148
Base-Backbone interact. energy: -1.499
local terms energy: -120.415546
where:
bonds (distance) C4'-P energy: -37.587
bonds (distance) P-C4' energy: -36.988
flat angles C4'-P-C4' energy: -37.415
flat angles P-C4'-P energy: -16.275
tors. eta vs tors. theta energy: 7.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -685.337500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.337500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.337500 (E_RNA)
where:
Base-Base interactions energy: -466.482
where: short stacking energy: -181.574
Base-Backbone interact. energy: -0.374
local terms energy: -218.481716
where:
bonds (distance) C4'-P energy: -43.665
bonds (distance) P-C4' energy: -46.739
flat angles C4'-P-C4' energy: -43.393
flat angles P-C4'-P energy: -23.555
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: 3
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -670.555609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.555609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.555609 (E_RNA)
where:
Base-Base interactions energy: -459.412
where: short stacking energy: -183.609
Base-Backbone interact. energy: -0.968
local terms energy: -210.175813
where:
bonds (distance) C4'-P energy: -36.173
bonds (distance) P-C4' energy: -37.663
flat angles C4'-P-C4' energy: -44.501
flat angles P-C4'-P energy: -31.949
tors. eta vs tors. theta energy: -59.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -634.565930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.565930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.565930 (E_RNA)
where:
Base-Base interactions energy: -419.057
where: short stacking energy: -191.642
Base-Backbone interact. energy: -0.299
local terms energy: -215.209429
where:
bonds (distance) C4'-P energy: -35.566
bonds (distance) P-C4' energy: -43.972
flat angles C4'-P-C4' energy: -46.021
flat angles P-C4'-P energy: -34.468
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: 4, replica: 2
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -561.625782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.625782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.625782 (E_RNA)
where:
Base-Base interactions energy: -368.247
where: short stacking energy: -178.140
Base-Backbone interact. energy: -1.058
local terms energy: -192.320804
where:
bonds (distance) C4'-P energy: -33.832
bonds (distance) P-C4' energy: -35.107
flat angles C4'-P-C4' energy: -42.744
flat angles P-C4'-P energy: -30.981
tors. eta vs tors. theta energy: -49.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -581.186846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.186846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.186846 (E_RNA)
where:
Base-Base interactions energy: -371.770
where: short stacking energy: -168.236
Base-Backbone interact. energy: -0.636
local terms energy: -208.780528
where:
bonds (distance) C4'-P energy: -38.535
bonds (distance) P-C4' energy: -41.811
flat angles C4'-P-C4' energy: -41.090
flat angles P-C4'-P energy: -33.222
tors. eta vs tors. theta energy: -54.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -473.547462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.547462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.547462 (E_RNA)
where:
Base-Base interactions energy: -302.226
where: short stacking energy: -130.345
Base-Backbone interact. energy: -1.459
local terms energy: -169.862014
where:
bonds (distance) C4'-P energy: -31.923
bonds (distance) P-C4' energy: -27.353
flat angles C4'-P-C4' energy: -44.798
flat angles P-C4'-P energy: -26.067
tors. eta vs tors. theta energy: -39.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -496.694112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.694112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.694112 (E_RNA)
where:
Base-Base interactions energy: -331.703
where: short stacking energy: -137.158
Base-Backbone interact. energy: -2.309
local terms energy: -162.681947
where:
bonds (distance) C4'-P energy: -30.950
bonds (distance) P-C4' energy: -32.383
flat angles C4'-P-C4' energy: -38.180
flat angles P-C4'-P energy: -23.966
tors. eta vs tors. theta energy: -37.204
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: 8
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -278.246174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.246174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.246174 (E_RNA)
where:
Base-Base interactions energy: -158.681
where: short stacking energy: -90.783
Base-Backbone interact. energy: 2.297
local terms energy: -121.862613
where:
bonds (distance) C4'-P energy: -23.469
bonds (distance) P-C4' energy: -40.609
flat angles C4'-P-C4' energy: -29.968
flat angles P-C4'-P energy: -20.213
tors. eta vs tors. theta energy: -7.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -188.413626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.413626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.413626 (E_RNA)
where:
Base-Base interactions energy: -65.167
where: short stacking energy: -64.716
Base-Backbone interact. energy: -0.570
local terms energy: -122.675734
where:
bonds (distance) C4'-P energy: -37.132
bonds (distance) P-C4' energy: -34.573
flat angles C4'-P-C4' energy: -27.429
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -8.785
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: 10
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -168.722704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.722704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.722704 (E_RNA)
where:
Base-Base interactions energy: -46.296
where: short stacking energy: -45.294
Base-Backbone interact. energy: -0.435
local terms energy: -121.991846
where:
bonds (distance) C4'-P energy: -33.239
bonds (distance) P-C4' energy: -37.683
flat angles C4'-P-C4' energy: -27.228
flat angles P-C4'-P energy: -26.338
tors. eta vs tors. theta energy: 2.497
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: 1, replica: 9
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -681.055695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.055695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.055695 (E_RNA)
where:
Base-Base interactions energy: -471.131
where: short stacking energy: -189.752
Base-Backbone interact. energy: -0.910
local terms energy: -209.014225
where:
bonds (distance) C4'-P energy: -34.005
bonds (distance) P-C4' energy: -41.048
flat angles C4'-P-C4' energy: -42.728
flat angles P-C4'-P energy: -34.196
tors. eta vs tors. theta energy: -57.038
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: 300
Temperature: 0.950000
Total energy: -689.735401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.735401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.735401 (E_RNA)
where:
Base-Base interactions energy: -491.125
where: short stacking energy: -199.491
Base-Backbone interact. energy: -0.838
local terms energy: -197.772720
where:
bonds (distance) C4'-P energy: -31.016
bonds (distance) P-C4' energy: -29.876
flat angles C4'-P-C4' energy: -42.138
flat angles P-C4'-P energy: -32.749
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: 300
Temperature: 1.000000
Total energy: -631.354464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.354464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.354464 (E_RNA)
where:
Base-Base interactions energy: -423.250
where: short stacking energy: -185.367
Base-Backbone interact. energy: -0.636
local terms energy: -207.468520
where:
bonds (distance) C4'-P energy: -37.733
bonds (distance) P-C4' energy: -42.016
flat angles C4'-P-C4' energy: -32.374
flat angles P-C4'-P energy: -37.421
tors. eta vs tors. theta energy: -57.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -584.587073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.587073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.587073 (E_RNA)
where:
Base-Base interactions energy: -372.997
where: short stacking energy: -191.219
Base-Backbone interact. energy: -0.823
local terms energy: -210.767374
where:
bonds (distance) C4'-P energy: -41.210
bonds (distance) P-C4' energy: -44.478
flat angles C4'-P-C4' energy: -37.512
flat angles P-C4'-P energy: -29.540
tors. eta vs tors. theta energy: -58.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -581.352521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.352521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.352521 (E_RNA)
where:
Base-Base interactions energy: -398.887
where: short stacking energy: -180.235
Base-Backbone interact. energy: -1.031
local terms energy: -181.433568
where:
bonds (distance) C4'-P energy: -34.086
bonds (distance) P-C4' energy: -28.803
flat angles C4'-P-C4' energy: -40.195
flat angles P-C4'-P energy: -22.476
tors. eta vs tors. theta energy: -55.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -480.047554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.047554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.047554 (E_RNA)
where:
Base-Base interactions energy: -306.522
where: short stacking energy: -131.848
Base-Backbone interact. energy: -0.732
local terms energy: -172.793395
where:
bonds (distance) C4'-P energy: -37.245
bonds (distance) P-C4' energy: -37.407
flat angles C4'-P-C4' energy: -35.145
flat angles P-C4'-P energy: -29.694
tors. eta vs tors. theta energy: -33.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -553.001149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.001149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.001149 (E_RNA)
where:
Base-Base interactions energy: -383.421
where: short stacking energy: -155.329
Base-Backbone interact. energy: -0.908
local terms energy: -168.672358
where:
bonds (distance) C4'-P energy: -23.140
bonds (distance) P-C4' energy: -28.437
flat angles C4'-P-C4' energy: -42.336
flat angles P-C4'-P energy: -27.354
tors. eta vs tors. theta energy: -47.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -269.821567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.821567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.821567 (E_RNA)
where:
Base-Base interactions energy: -140.373
where: short stacking energy: -71.588
Base-Backbone interact. energy: 2.876
local terms energy: -132.324200
where:
bonds (distance) C4'-P energy: -38.577
bonds (distance) P-C4' energy: -41.589
flat angles C4'-P-C4' energy: -34.640
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -5.102
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: 10
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -174.908530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.908530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.908530 (E_RNA)
where:
Base-Base interactions energy: -65.441
where: short stacking energy: -57.564
Base-Backbone interact. energy: -0.286
local terms energy: -109.181168
where:
bonds (distance) C4'-P energy: -32.572
bonds (distance) P-C4' energy: -38.989
flat angles C4'-P-C4' energy: -27.873
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: 2.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -160.325307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.325307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.325307 (E_RNA)
where:
Base-Base interactions energy: -42.087
where: short stacking energy: -36.551
Base-Backbone interact. energy: 0.699
local terms energy: -118.938017
where:
bonds (distance) C4'-P energy: -32.070
bonds (distance) P-C4' energy: -38.267
flat angles C4'-P-C4' energy: -30.321
flat angles P-C4'-P energy: -17.381
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: 9
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -678.851121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.851121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.851121 (E_RNA)
where:
Base-Base interactions energy: -454.147
where: short stacking energy: -184.527
Base-Backbone interact. energy: -2.516
local terms energy: -222.188630
where:
bonds (distance) C4'-P energy: -35.874
bonds (distance) P-C4' energy: -40.586
flat angles C4'-P-C4' energy: -50.498
flat angles P-C4'-P energy: -34.155
tors. eta vs tors. theta energy: -61.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -668.611388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.611388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.611388 (E_RNA)
where:
Base-Base interactions energy: -474.575
where: short stacking energy: -191.272
Base-Backbone interact. energy: -0.028
local terms energy: -194.007745
where:
bonds (distance) C4'-P energy: -42.186
bonds (distance) P-C4' energy: -33.959
flat angles C4'-P-C4' energy: -39.447
flat angles P-C4'-P energy: -23.130
tors. eta vs tors. theta energy: -55.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -596.987958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.987958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.987958 (E_RNA)
where:
Base-Base interactions energy: -411.460
where: short stacking energy: -180.242
Base-Backbone interact. energy: -0.001
local terms energy: -185.526610
where:
bonds (distance) C4'-P energy: -31.869
bonds (distance) P-C4' energy: -36.867
flat angles C4'-P-C4' energy: -38.751
flat angles P-C4'-P energy: -23.360
tors. eta vs tors. theta energy: -54.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -604.281122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.281122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.281122 (E_RNA)
where:
Base-Base interactions energy: -408.002
where: short stacking energy: -191.871
Base-Backbone interact. energy: -1.661
local terms energy: -194.618135
where:
bonds (distance) C4'-P energy: -34.177
bonds (distance) P-C4' energy: -36.425
flat angles C4'-P-C4' energy: -44.165
flat angles P-C4'-P energy: -30.139
tors. eta vs tors. theta energy: -49.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -565.649905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.649905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.649905 (E_RNA)
where:
Base-Base interactions energy: -367.862
where: short stacking energy: -170.287
Base-Backbone interact. energy: -1.338
local terms energy: -196.449727
where:
bonds (distance) C4'-P energy: -39.057
bonds (distance) P-C4' energy: -38.739
flat angles C4'-P-C4' energy: -37.425
flat angles P-C4'-P energy: -30.161
tors. eta vs tors. theta energy: -51.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -524.314200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.314200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.314200 (E_RNA)
where:
Base-Base interactions energy: -356.152
where: short stacking energy: -136.887
Base-Backbone interact. energy: -0.709
local terms energy: -167.452891
where:
bonds (distance) C4'-P energy: -33.764
bonds (distance) P-C4' energy: -37.897
flat angles C4'-P-C4' energy: -30.076
flat angles P-C4'-P energy: -31.330
tors. eta vs tors. theta energy: -34.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -467.971120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.971120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.971120 (E_RNA)
where:
Base-Base interactions energy: -305.627
where: short stacking energy: -133.945
Base-Backbone interact. energy: -1.349
local terms energy: -160.994209
where:
bonds (distance) C4'-P energy: -30.701
bonds (distance) P-C4' energy: -37.047
flat angles C4'-P-C4' energy: -34.160
flat angles P-C4'-P energy: -19.006
tors. eta vs tors. theta energy: -40.080
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: 8
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -250.521144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.521144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.521144 (E_RNA)
where:
Base-Base interactions energy: -115.311
where: short stacking energy: -69.227
Base-Backbone interact. energy: -1.938
local terms energy: -133.271717
where:
bonds (distance) C4'-P energy: -29.838
bonds (distance) P-C4' energy: -33.386
flat angles C4'-P-C4' energy: -34.352
flat angles P-C4'-P energy: -20.132
tors. eta vs tors. theta energy: -15.565
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: 10
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -180.895071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.895071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.895071 (E_RNA)
where:
Base-Base interactions energy: -71.101
where: short stacking energy: -54.828
Base-Backbone interact. energy: -2.630
local terms energy: -107.164090
where:
bonds (distance) C4'-P energy: -29.166
bonds (distance) P-C4' energy: -25.780
flat angles C4'-P-C4' energy: -32.307
flat angles P-C4'-P energy: -20.925
tors. eta vs tors. theta energy: 1.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -153.937293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.937293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.937293 (E_RNA)
where:
Base-Base interactions energy: -43.796
where: short stacking energy: -35.288
Base-Backbone interact. energy: 1.037
local terms energy: -111.178402
where:
bonds (distance) C4'-P energy: -37.265
bonds (distance) P-C4' energy: -35.249
flat angles C4'-P-C4' energy: -23.876
flat angles P-C4'-P energy: -23.425
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: 302
Temperature: 0.900000
Total energy: -687.683470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.683470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.683470 (E_RNA)
where:
Base-Base interactions energy: -474.461
where: short stacking energy: -182.581
Base-Backbone interact. energy: -0.636
local terms energy: -212.586678
where:
bonds (distance) C4'-P energy: -38.142
bonds (distance) P-C4' energy: -40.707
flat angles C4'-P-C4' energy: -49.167
flat angles P-C4'-P energy: -28.158
tors. eta vs tors. theta energy: -56.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -663.475299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.475299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.475299 (E_RNA)
where:
Base-Base interactions energy: -452.234
where: short stacking energy: -181.388
Base-Backbone interact. energy: 0.275
local terms energy: -211.516297
where:
bonds (distance) C4'-P energy: -44.665
bonds (distance) P-C4' energy: -37.827
flat angles C4'-P-C4' energy: -39.336
flat angles P-C4'-P energy: -29.318
tors. eta vs tors. theta energy: -60.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -615.202498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.202498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.202498 (E_RNA)
where:
Base-Base interactions energy: -429.861
where: short stacking energy: -188.718
Base-Backbone interact. energy: 0.564
local terms energy: -185.905061
where:
bonds (distance) C4'-P energy: -34.919
bonds (distance) P-C4' energy: -34.724
flat angles C4'-P-C4' energy: -41.899
flat angles P-C4'-P energy: -23.748
tors. eta vs tors. theta energy: -50.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -603.505026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.505026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.505026 (E_RNA)
where:
Base-Base interactions energy: -399.208
where: short stacking energy: -198.736
Base-Backbone interact. energy: -0.097
local terms energy: -204.199667
where:
bonds (distance) C4'-P energy: -40.259
bonds (distance) P-C4' energy: -30.938
flat angles C4'-P-C4' energy: -42.882
flat angles P-C4'-P energy: -32.149
tors. eta vs tors. theta energy: -57.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -552.065373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.065373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.065373 (E_RNA)
where:
Base-Base interactions energy: -351.607
where: short stacking energy: -157.566
Base-Backbone interact. energy: -1.613
local terms energy: -198.845579
where:
bonds (distance) C4'-P energy: -38.682
bonds (distance) P-C4' energy: -40.869
flat angles C4'-P-C4' energy: -42.369
flat angles P-C4'-P energy: -26.617
tors. eta vs tors. theta energy: -50.309
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: 6, replica: 5
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -539.811231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.811231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.811231 (E_RNA)
where:
Base-Base interactions energy: -366.474
where: short stacking energy: -163.721
Base-Backbone interact. energy: -0.839
local terms energy: -172.498234
where:
bonds (distance) C4'-P energy: -29.510
bonds (distance) P-C4' energy: -36.311
flat angles C4'-P-C4' energy: -37.221
flat angles P-C4'-P energy: -23.620
tors. eta vs tors. theta energy: -45.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -465.703495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.703495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.703495 (E_RNA)
where:
Base-Base interactions energy: -304.710
where: short stacking energy: -127.503
Base-Backbone interact. energy: -0.631
local terms energy: -160.362930
where:
bonds (distance) C4'-P energy: -31.811
bonds (distance) P-C4' energy: -32.180
flat angles C4'-P-C4' energy: -34.054
flat angles P-C4'-P energy: -22.256
tors. eta vs tors. theta energy: -40.062
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: 8
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -287.119083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.119083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.119083 (E_RNA)
where:
Base-Base interactions energy: -145.770
where: short stacking energy: -85.029
Base-Backbone interact. energy: -0.413
local terms energy: -140.935904
where:
bonds (distance) C4'-P energy: -28.567
bonds (distance) P-C4' energy: -41.452
flat angles C4'-P-C4' energy: -35.402
flat angles P-C4'-P energy: -23.254
tors. eta vs tors. theta energy: -12.262
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: 10
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -192.812644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.812644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.812644 (E_RNA)
where:
Base-Base interactions energy: -70.000
where: short stacking energy: -57.960
Base-Backbone interact. energy: -0.466
local terms energy: -122.346352
where:
bonds (distance) C4'-P energy: -23.712
bonds (distance) P-C4' energy: -39.149
flat angles C4'-P-C4' energy: -32.346
flat angles P-C4'-P energy: -19.331
tors. eta vs tors. theta energy: -7.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -167.365576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.365576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.365576 (E_RNA)
where:
Base-Base interactions energy: -66.353
where: short stacking energy: -52.918
Base-Backbone interact. energy: -0.585
local terms energy: -100.428086
where:
bonds (distance) C4'-P energy: -33.305
bonds (distance) P-C4' energy: -26.225
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -20.824
tors. eta vs tors. theta energy: -0.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -691.005456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.005456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.005456 (E_RNA)
where:
Base-Base interactions energy: -473.773
where: short stacking energy: -186.172
Base-Backbone interact. energy: 0.735
local terms energy: -217.967040
where:
bonds (distance) C4'-P energy: -41.479
bonds (distance) P-C4' energy: -44.604
flat angles C4'-P-C4' energy: -40.117
flat angles P-C4'-P energy: -35.486
tors. eta vs tors. theta energy: -56.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -662.589521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.589521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.589521 (E_RNA)
where:
Base-Base interactions energy: -450.580
where: short stacking energy: -194.402
Base-Backbone interact. energy: -0.277
local terms energy: -211.732538
where:
bonds (distance) C4'-P energy: -35.652
bonds (distance) P-C4' energy: -45.228
flat angles C4'-P-C4' energy: -39.907
flat angles P-C4'-P energy: -25.728
tors. eta vs tors. theta energy: -65.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -609.039390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.039390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.039390 (E_RNA)
where:
Base-Base interactions energy: -399.045
where: short stacking energy: -183.586
Base-Backbone interact. energy: -0.986
local terms energy: -209.007959
where:
bonds (distance) C4'-P energy: -40.399
bonds (distance) P-C4' energy: -42.183
flat angles C4'-P-C4' energy: -42.169
flat angles P-C4'-P energy: -28.135
tors. eta vs tors. theta energy: -56.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -574.167426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.167426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.167426 (E_RNA)
where:
Base-Base interactions energy: -383.617
where: short stacking energy: -176.787
Base-Backbone interact. energy: -1.024
local terms energy: -189.526688
where:
bonds (distance) C4'-P energy: -34.939
bonds (distance) P-C4' energy: -36.297
flat angles C4'-P-C4' energy: -36.709
flat angles P-C4'-P energy: -28.928
tors. eta vs tors. theta energy: -52.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -547.405400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.405400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.405400 (E_RNA)
where:
Base-Base interactions energy: -357.559
where: short stacking energy: -171.534
Base-Backbone interact. energy: -0.794
local terms energy: -189.052320
where:
bonds (distance) C4'-P energy: -32.562
bonds (distance) P-C4' energy: -40.916
flat angles C4'-P-C4' energy: -38.406
flat angles P-C4'-P energy: -30.491
tors. eta vs tors. theta energy: -46.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -552.145690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.145690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.145690 (E_RNA)
where:
Base-Base interactions energy: -383.520
where: short stacking energy: -166.535
Base-Backbone interact. energy: -0.379
local terms energy: -168.246985
where:
bonds (distance) C4'-P energy: -23.041
bonds (distance) P-C4' energy: -35.182
flat angles C4'-P-C4' energy: -32.375
flat angles P-C4'-P energy: -32.299
tors. eta vs tors. theta energy: -45.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -470.064870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.064870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.064870 (E_RNA)
where:
Base-Base interactions energy: -314.253
where: short stacking energy: -138.501
Base-Backbone interact. energy: -0.856
local terms energy: -154.955350
where:
bonds (distance) C4'-P energy: -31.379
bonds (distance) P-C4' energy: -34.249
flat angles C4'-P-C4' energy: -40.787
flat angles P-C4'-P energy: -18.639
tors. eta vs tors. theta energy: -29.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -284.288884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.288884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.288884 (E_RNA)
where:
Base-Base interactions energy: -139.438
where: short stacking energy: -87.059
Base-Backbone interact. energy: 0.027
local terms energy: -144.877899
where:
bonds (distance) C4'-P energy: -38.613
bonds (distance) P-C4' energy: -29.778
flat angles C4'-P-C4' energy: -41.372
flat angles P-C4'-P energy: -20.318
tors. eta vs tors. theta energy: -14.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -180.904291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.904291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.904291 (E_RNA)
where:
Base-Base interactions energy: -77.353
where: short stacking energy: -52.048
Base-Backbone interact. energy: 1.686
local terms energy: -105.237787
where:
bonds (distance) C4'-P energy: -33.907
bonds (distance) P-C4' energy: -33.192
flat angles C4'-P-C4' energy: -27.172
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: 1.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -169.092232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.092232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.092232 (E_RNA)
where:
Base-Base interactions energy: -45.147
where: short stacking energy: -42.731
Base-Backbone interact. energy: 1.491
local terms energy: -125.435877
where:
bonds (distance) C4'-P energy: -33.194
bonds (distance) P-C4' energy: -35.687
flat angles C4'-P-C4' energy: -35.827
flat angles P-C4'-P energy: -25.770
tors. eta vs tors. theta energy: 5.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -671.080522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.080522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.080522 (E_RNA)
where:
Base-Base interactions energy: -459.202
where: short stacking energy: -199.438
Base-Backbone interact. energy: -0.468
local terms energy: -211.410562
where:
bonds (distance) C4'-P energy: -35.695
bonds (distance) P-C4' energy: -38.839
flat angles C4'-P-C4' energy: -46.714
flat angles P-C4'-P energy: -31.275
tors. eta vs tors. theta energy: -58.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -681.658447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.658447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.658447 (E_RNA)
where:
Base-Base interactions energy: -474.624
where: short stacking energy: -172.775
Base-Backbone interact. energy: -0.614
local terms energy: -206.420967
where:
bonds (distance) C4'-P energy: -40.636
bonds (distance) P-C4' energy: -40.861
flat angles C4'-P-C4' energy: -45.590
flat angles P-C4'-P energy: -20.861
tors. eta vs tors. theta energy: -58.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -610.499870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.499870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.499870 (E_RNA)
where:
Base-Base interactions energy: -413.329
where: short stacking energy: -184.511
Base-Backbone interact. energy: -1.242
local terms energy: -195.928779
where:
bonds (distance) C4'-P energy: -36.606
bonds (distance) P-C4' energy: -35.100
flat angles C4'-P-C4' energy: -42.264
flat angles P-C4'-P energy: -28.881
tors. eta vs tors. theta energy: -53.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -595.366941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.366941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.366941 (E_RNA)
where:
Base-Base interactions energy: -391.403
where: short stacking energy: -180.020
Base-Backbone interact. energy: -0.491
local terms energy: -203.472054
where:
bonds (distance) C4'-P energy: -37.823
bonds (distance) P-C4' energy: -33.803
flat angles C4'-P-C4' energy: -40.254
flat angles P-C4'-P energy: -32.556
tors. eta vs tors. theta energy: -59.035
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: 2
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -564.833256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.833256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.833256 (E_RNA)
where:
Base-Base interactions energy: -367.200
where: short stacking energy: -159.686
Base-Backbone interact. energy: 0.182
local terms energy: -197.815774
where:
bonds (distance) C4'-P energy: -44.058
bonds (distance) P-C4' energy: -36.676
flat angles C4'-P-C4' energy: -46.115
flat angles P-C4'-P energy: -21.611
tors. eta vs tors. theta energy: -49.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -530.792832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.792832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.792832 (E_RNA)
where:
Base-Base interactions energy: -357.714
where: short stacking energy: -146.547
Base-Backbone interact. energy: -0.665
local terms energy: -172.414321
where:
bonds (distance) C4'-P energy: -31.675
bonds (distance) P-C4' energy: -36.264
flat angles C4'-P-C4' energy: -38.069
flat angles P-C4'-P energy: -22.713
tors. eta vs tors. theta energy: -43.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -467.882131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.882131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.882131 (E_RNA)
where:
Base-Base interactions energy: -315.378
where: short stacking energy: -142.060
Base-Backbone interact. energy: -0.907
local terms energy: -151.596818
where:
bonds (distance) C4'-P energy: -30.941
bonds (distance) P-C4' energy: -36.145
flat angles C4'-P-C4' energy: -36.351
flat angles P-C4'-P energy: -16.098
tors. eta vs tors. theta energy: -32.062
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: 8
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -274.987203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.987203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.987203 (E_RNA)
where:
Base-Base interactions energy: -132.120
where: short stacking energy: -64.499
Base-Backbone interact. energy: -1.192
local terms energy: -141.675126
where:
bonds (distance) C4'-P energy: -38.389
bonds (distance) P-C4' energy: -35.614
flat angles C4'-P-C4' energy: -39.022
flat angles P-C4'-P energy: -19.664
tors. eta vs tors. theta energy: -8.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -192.184148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.184148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.184148 (E_RNA)
where:
Base-Base interactions energy: -76.366
where: short stacking energy: -55.971
Base-Backbone interact. energy: -0.510
local terms energy: -115.308264
where:
bonds (distance) C4'-P energy: -31.244
bonds (distance) P-C4' energy: -37.602
flat angles C4'-P-C4' energy: -31.890
flat angles P-C4'-P energy: -16.188
tors. eta vs tors. theta energy: 1.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -172.722536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.722536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.722536 (E_RNA)
where:
Base-Base interactions energy: -64.555
where: short stacking energy: -45.487
Base-Backbone interact. energy: -0.985
local terms energy: -107.181996
where:
bonds (distance) C4'-P energy: -24.272
bonds (distance) P-C4' energy: -34.882
flat angles C4'-P-C4' energy: -29.538
flat angles P-C4'-P energy: -20.757
tors. eta vs tors. theta energy: 2.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -675.043975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.043975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.043975 (E_RNA)
where:
Base-Base interactions energy: -459.767
where: short stacking energy: -183.620
Base-Backbone interact. energy: -1.002
local terms energy: -214.275251
where:
bonds (distance) C4'-P energy: -40.129
bonds (distance) P-C4' energy: -38.684
flat angles C4'-P-C4' energy: -44.924
flat angles P-C4'-P energy: -31.232
tors. eta vs tors. theta energy: -59.305
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: 2, replica: 3
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -686.910324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.910324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.910324 (E_RNA)
where:
Base-Base interactions energy: -479.359
where: short stacking energy: -196.444
Base-Backbone interact. energy: 1.461
local terms energy: -209.012317
where:
bonds (distance) C4'-P energy: -35.367
bonds (distance) P-C4' energy: -41.188
flat angles C4'-P-C4' energy: -44.166
flat angles P-C4'-P energy: -30.427
tors. eta vs tors. theta energy: -57.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -615.097200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.097200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.097200 (E_RNA)
where:
Base-Base interactions energy: -409.795
where: short stacking energy: -186.630
Base-Backbone interact. energy: -1.093
local terms energy: -204.210064
where:
bonds (distance) C4'-P energy: -38.445
bonds (distance) P-C4' energy: -35.339
flat angles C4'-P-C4' energy: -40.202
flat angles P-C4'-P energy: -34.399
tors. eta vs tors. theta energy: -55.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -619.202596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.202596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.202596 (E_RNA)
where:
Base-Base interactions energy: -411.861
where: short stacking energy: -195.763
Base-Backbone interact. energy: -0.082
local terms energy: -207.259328
where:
bonds (distance) C4'-P energy: -42.867
bonds (distance) P-C4' energy: -34.959
flat angles C4'-P-C4' energy: -41.270
flat angles P-C4'-P energy: -28.155
tors. eta vs tors. theta energy: -60.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -554.343701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.343701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.343701 (E_RNA)
where:
Base-Base interactions energy: -352.926
where: short stacking energy: -157.159
Base-Backbone interact. energy: -1.133
local terms energy: -200.285042
where:
bonds (distance) C4'-P energy: -39.735
bonds (distance) P-C4' energy: -44.246
flat angles C4'-P-C4' energy: -39.491
flat angles P-C4'-P energy: -24.487
tors. eta vs tors. theta energy: -52.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -529.332225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.332225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.332225 (E_RNA)
where:
Base-Base interactions energy: -349.461
where: short stacking energy: -154.922
Base-Backbone interact. energy: 0.872
local terms energy: -180.743277
where:
bonds (distance) C4'-P energy: -32.432
bonds (distance) P-C4' energy: -30.588
flat angles C4'-P-C4' energy: -43.893
flat angles P-C4'-P energy: -29.779
tors. eta vs tors. theta energy: -44.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -486.790285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.790285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.790285 (E_RNA)
where:
Base-Base interactions energy: -312.662
where: short stacking energy: -135.566
Base-Backbone interact. energy: 2.442
local terms energy: -176.570217
where:
bonds (distance) C4'-P energy: -39.988
bonds (distance) P-C4' energy: -39.909
flat angles C4'-P-C4' energy: -34.031
flat angles P-C4'-P energy: -20.217
tors. eta vs tors. theta energy: -42.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -202.139797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.139797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.139797 (E_RNA)
where:
Base-Base interactions energy: -76.217
where: short stacking energy: -66.056
Base-Backbone interact. energy: -0.256
local terms energy: -125.666763
where:
bonds (distance) C4'-P energy: -37.109
bonds (distance) P-C4' energy: -35.507
flat angles C4'-P-C4' energy: -38.997
flat angles P-C4'-P energy: -15.728
tors. eta vs tors. theta energy: 1.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -207.531169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.531169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.531169 (E_RNA)
where:
Base-Base interactions energy: -89.294
where: short stacking energy: -57.277
Base-Backbone interact. energy: 0.596
local terms energy: -118.832646
where:
bonds (distance) C4'-P energy: -33.332
bonds (distance) P-C4' energy: -35.984
flat angles C4'-P-C4' energy: -25.675
flat angles P-C4'-P energy: -20.203
tors. eta vs tors. theta energy: -3.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -191.803291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.803291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.803291 (E_RNA)
where:
Base-Base interactions energy: -71.982
where: short stacking energy: -56.666
Base-Backbone interact. energy: -1.065
local terms energy: -118.756553
where:
bonds (distance) C4'-P energy: -32.983
bonds (distance) P-C4' energy: -38.833
flat angles C4'-P-C4' energy: -25.637
flat angles P-C4'-P energy: -19.868
tors. eta vs tors. theta energy: -1.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -695.001288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.001288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.001288 (E_RNA)
where:
Base-Base interactions energy: -483.050
where: short stacking energy: -199.740
Base-Backbone interact. energy: -0.985
local terms energy: -210.966447
where:
bonds (distance) C4'-P energy: -35.200
bonds (distance) P-C4' energy: -40.236
flat angles C4'-P-C4' energy: -46.290
flat angles P-C4'-P energy: -28.817
tors. eta vs tors. theta energy: -60.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -649.987600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.987600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.987600 (E_RNA)
where:
Base-Base interactions energy: -441.631
where: short stacking energy: -175.725
Base-Backbone interact. energy: -0.593
local terms energy: -207.763285
where:
bonds (distance) C4'-P energy: -44.768
bonds (distance) P-C4' energy: -36.109
flat angles C4'-P-C4' energy: -39.430
flat angles P-C4'-P energy: -34.772
tors. eta vs tors. theta energy: -52.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -619.633141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.633141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.633141 (E_RNA)
where:
Base-Base interactions energy: -402.228
where: short stacking energy: -196.641
Base-Backbone interact. energy: -0.151
local terms energy: -217.253429
where:
bonds (distance) C4'-P energy: -41.921
bonds (distance) P-C4' energy: -40.231
flat angles C4'-P-C4' energy: -45.420
flat angles P-C4'-P energy: -25.264
tors. eta vs tors. theta energy: -64.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -589.998832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.998832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.998832 (E_RNA)
where:
Base-Base interactions energy: -398.983
where: short stacking energy: -168.467
Base-Backbone interact. energy: 0.570
local terms energy: -191.586247
where:
bonds (distance) C4'-P energy: -42.574
bonds (distance) P-C4' energy: -40.641
flat angles C4'-P-C4' energy: -41.887
flat angles P-C4'-P energy: -15.838
tors. eta vs tors. theta energy: -50.646
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: 2
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -555.740522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.740522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.740522 (E_RNA)
where:
Base-Base interactions energy: -345.525
where: short stacking energy: -177.176
Base-Backbone interact. energy: -0.152
local terms energy: -210.064073
where:
bonds (distance) C4'-P energy: -36.491
bonds (distance) P-C4' energy: -39.644
flat angles C4'-P-C4' energy: -44.839
flat angles P-C4'-P energy: -32.533
tors. eta vs tors. theta energy: -56.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -530.189383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.189383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.189383 (E_RNA)
where:
Base-Base interactions energy: -351.640
where: short stacking energy: -144.617
Base-Backbone interact. energy: -1.178
local terms energy: -177.371495
where:
bonds (distance) C4'-P energy: -31.070
bonds (distance) P-C4' energy: -41.484
flat angles C4'-P-C4' energy: -39.705
flat angles P-C4'-P energy: -26.387
tors. eta vs tors. theta energy: -38.725
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: 4
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -470.030185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.030185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.030185 (E_RNA)
where:
Base-Base interactions energy: -295.988
where: short stacking energy: -121.395
Base-Backbone interact. energy: -0.189
local terms energy: -173.853374
where:
bonds (distance) C4'-P energy: -31.670
bonds (distance) P-C4' energy: -33.236
flat angles C4'-P-C4' energy: -37.968
flat angles P-C4'-P energy: -32.008
tors. eta vs tors. theta energy: -38.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -201.262400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.262400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.262400 (E_RNA)
where:
Base-Base interactions energy: -76.880
where: short stacking energy: -70.111
Base-Backbone interact. energy: 1.533
local terms energy: -125.915365
where:
bonds (distance) C4'-P energy: -34.261
bonds (distance) P-C4' energy: -38.359
flat angles C4'-P-C4' energy: -31.742
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -9.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -169.958426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.958426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.958426 (E_RNA)
where:
Base-Base interactions energy: -56.505
where: short stacking energy: -46.970
Base-Backbone interact. energy: 1.519
local terms energy: -114.973101
where:
bonds (distance) C4'-P energy: -37.174
bonds (distance) P-C4' energy: -32.752
flat angles C4'-P-C4' energy: -31.869
flat angles P-C4'-P energy: -19.531
tors. eta vs tors. theta energy: 6.353
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: 306
Temperature: 1.350000
Total energy: -177.837015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.837015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.837015 (E_RNA)
where:
Base-Base interactions energy: -58.644
where: short stacking energy: -56.895
Base-Backbone interact. energy: -0.464
local terms energy: -118.728824
where:
bonds (distance) C4'-P energy: -37.451
bonds (distance) P-C4' energy: -34.607
flat angles C4'-P-C4' energy: -26.256
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -10.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -699.786185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.786185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.786185 (E_RNA)
where:
Base-Base interactions energy: -492.865
where: short stacking energy: -192.538
Base-Backbone interact. energy: -0.245
local terms energy: -206.676478
where:
bonds (distance) C4'-P energy: -39.666
bonds (distance) P-C4' energy: -33.656
flat angles C4'-P-C4' energy: -44.192
flat angles P-C4'-P energy: -25.410
tors. eta vs tors. theta energy: -63.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -653.004625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.004625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.004625 (E_RNA)
where:
Base-Base interactions energy: -452.373
where: short stacking energy: -184.072
Base-Backbone interact. energy: -0.827
local terms energy: -199.804576
where:
bonds (distance) C4'-P energy: -41.376
bonds (distance) P-C4' energy: -32.476
flat angles C4'-P-C4' energy: -45.700
flat angles P-C4'-P energy: -25.901
tors. eta vs tors. theta energy: -54.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -611.375719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.375719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.375719 (E_RNA)
where:
Base-Base interactions energy: -400.006
where: short stacking energy: -189.111
Base-Backbone interact. energy: -0.320
local terms energy: -211.050078
where:
bonds (distance) C4'-P energy: -34.246
bonds (distance) P-C4' energy: -40.890
flat angles C4'-P-C4' energy: -44.700
flat angles P-C4'-P energy: -31.756
tors. eta vs tors. theta energy: -59.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -579.982970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.982970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.982970 (E_RNA)
where:
Base-Base interactions energy: -386.143
where: short stacking energy: -173.830
Base-Backbone interact. energy: -0.324
local terms energy: -193.516646
where:
bonds (distance) C4'-P energy: -31.479
bonds (distance) P-C4' energy: -39.970
flat angles C4'-P-C4' energy: -41.438
flat angles P-C4'-P energy: -23.035
tors. eta vs tors. theta energy: -57.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -585.570669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.570669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.570669 (E_RNA)
where:
Base-Base interactions energy: -384.311
where: short stacking energy: -167.706
Base-Backbone interact. energy: -1.288
local terms energy: -199.972098
where:
bonds (distance) C4'-P energy: -32.897
bonds (distance) P-C4' energy: -36.218
flat angles C4'-P-C4' energy: -49.288
flat angles P-C4'-P energy: -33.873
tors. eta vs tors. theta energy: -47.696
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: 5
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -493.983217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.983217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.983217 (E_RNA)
where:
Base-Base interactions energy: -319.506
where: short stacking energy: -124.145
Base-Backbone interact. energy: -2.244
local terms energy: -172.233012
where:
bonds (distance) C4'-P energy: -28.642
bonds (distance) P-C4' energy: -44.752
flat angles C4'-P-C4' energy: -33.162
flat angles P-C4'-P energy: -27.964
tors. eta vs tors. theta energy: -37.713
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: 4
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -456.745942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.745942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.745942 (E_RNA)
where:
Base-Base interactions energy: -303.814
where: short stacking energy: -124.756
Base-Backbone interact. energy: -0.792
local terms energy: -152.140581
where:
bonds (distance) C4'-P energy: -27.895
bonds (distance) P-C4' energy: -32.379
flat angles C4'-P-C4' energy: -34.199
flat angles P-C4'-P energy: -19.816
tors. eta vs tors. theta energy: -37.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -209.847847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.847847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.847847 (E_RNA)
where:
Base-Base interactions energy: -86.710
where: short stacking energy: -60.825
Base-Backbone interact. energy: -0.622
local terms energy: -122.515160
where:
bonds (distance) C4'-P energy: -32.517
bonds (distance) P-C4' energy: -39.799
flat angles C4'-P-C4' energy: -36.197
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -6.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -189.144011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.144011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.144011 (E_RNA)
where:
Base-Base interactions energy: -82.292
where: short stacking energy: -54.598
Base-Backbone interact. energy: -1.203
local terms energy: -105.649215
where:
bonds (distance) C4'-P energy: -23.233
bonds (distance) P-C4' energy: -39.348
flat angles C4'-P-C4' energy: -23.490
flat angles P-C4'-P energy: -17.119
tors. eta vs tors. theta energy: -2.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -156.420441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.420441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.420441 (E_RNA)
where:
Base-Base interactions energy: -43.046
where: short stacking energy: -40.460
Base-Backbone interact. energy: -1.164
local terms energy: -112.210374
where:
bonds (distance) C4'-P energy: -32.170
bonds (distance) P-C4' energy: -36.117
flat angles C4'-P-C4' energy: -32.079
flat angles P-C4'-P energy: -16.221
tors. eta vs tors. theta energy: 4.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -704.339018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.339018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.339018 (E_RNA)
where:
Base-Base interactions energy: -489.036
where: short stacking energy: -204.350
Base-Backbone interact. energy: -0.096
local terms energy: -215.207551
where:
bonds (distance) C4'-P energy: -41.394
bonds (distance) P-C4' energy: -41.387
flat angles C4'-P-C4' energy: -41.563
flat angles P-C4'-P energy: -25.815
tors. eta vs tors. theta energy: -65.049
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: 9
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -679.508111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.508111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.508111 (E_RNA)
where:
Base-Base interactions energy: -467.002
where: short stacking energy: -198.979
Base-Backbone interact. energy: 0.669
local terms energy: -213.174776
where:
bonds (distance) C4'-P energy: -38.414
bonds (distance) P-C4' energy: -37.464
flat angles C4'-P-C4' energy: -40.641
flat angles P-C4'-P energy: -29.276
tors. eta vs tors. theta energy: -67.380
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: 2
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -599.142539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.142539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.142539 (E_RNA)
where:
Base-Base interactions energy: -393.357
where: short stacking energy: -186.143
Base-Backbone interact. energy: -1.393
local terms energy: -204.392244
where:
bonds (distance) C4'-P energy: -35.629
bonds (distance) P-C4' energy: -35.033
flat angles C4'-P-C4' energy: -42.739
flat angles P-C4'-P energy: -31.887
tors. eta vs tors. theta energy: -59.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -599.101326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.101326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.101326 (E_RNA)
where:
Base-Base interactions energy: -390.772
where: short stacking energy: -179.763
Base-Backbone interact. energy: -0.089
local terms energy: -208.240076
where:
bonds (distance) C4'-P energy: -40.798
bonds (distance) P-C4' energy: -46.663
flat angles C4'-P-C4' energy: -39.865
flat angles P-C4'-P energy: -25.550
tors. eta vs tors. theta energy: -55.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -584.765832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.765832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.765832 (E_RNA)
where:
Base-Base interactions energy: -394.698
where: short stacking energy: -180.192
Base-Backbone interact. energy: -2.403
local terms energy: -187.664801
where:
bonds (distance) C4'-P energy: -28.586
bonds (distance) P-C4' energy: -40.976
flat angles C4'-P-C4' energy: -40.836
flat angles P-C4'-P energy: -26.081
tors. eta vs tors. theta energy: -51.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -509.866679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.866679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.866679 (E_RNA)
where:
Base-Base interactions energy: -328.183
where: short stacking energy: -137.555
Base-Backbone interact. energy: 0.362
local terms energy: -182.045588
where:
bonds (distance) C4'-P energy: -35.406
bonds (distance) P-C4' energy: -37.317
flat angles C4'-P-C4' energy: -40.783
flat angles P-C4'-P energy: -30.053
tors. eta vs tors. theta energy: -38.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -437.136271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.136271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.136271 (E_RNA)
where:
Base-Base interactions energy: -267.574
where: short stacking energy: -120.725
Base-Backbone interact. energy: -0.224
local terms energy: -169.337941
where:
bonds (distance) C4'-P energy: -36.237
bonds (distance) P-C4' energy: -35.391
flat angles C4'-P-C4' energy: -39.125
flat angles P-C4'-P energy: -25.635
tors. eta vs tors. theta energy: -32.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -188.583323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.583323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.583323 (E_RNA)
where:
Base-Base interactions energy: -59.745
where: short stacking energy: -59.674
Base-Backbone interact. energy: -0.252
local terms energy: -128.586244
where:
bonds (distance) C4'-P energy: -27.514
bonds (distance) P-C4' energy: -41.760
flat angles C4'-P-C4' energy: -34.442
flat angles P-C4'-P energy: -22.299
tors. eta vs tors. theta energy: -2.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -173.283200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.283200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.283200 (E_RNA)
where:
Base-Base interactions energy: -68.928
where: short stacking energy: -54.319
Base-Backbone interact. energy: 0.493
local terms energy: -104.848492
where:
bonds (distance) C4'-P energy: -26.943
bonds (distance) P-C4' energy: -24.909
flat angles C4'-P-C4' energy: -37.168
flat angles P-C4'-P energy: -17.993
tors. eta vs tors. theta energy: 2.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -193.904070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.904070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.904070 (E_RNA)
where:
Base-Base interactions energy: -94.100
where: short stacking energy: -54.056
Base-Backbone interact. energy: 6.475
local terms energy: -106.279889
where:
bonds (distance) C4'-P energy: -31.591
bonds (distance) P-C4' energy: -34.637
flat angles C4'-P-C4' energy: -30.128
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: 3.848
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: 1, replica: 3
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -684.100377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.100377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.100377 (E_RNA)
where:
Base-Base interactions energy: -468.262
where: short stacking energy: -182.483
Base-Backbone interact. energy: 1.055
local terms energy: -216.894019
where:
bonds (distance) C4'-P energy: -39.669
bonds (distance) P-C4' energy: -40.700
flat angles C4'-P-C4' energy: -44.754
flat angles P-C4'-P energy: -28.920
tors. eta vs tors. theta energy: -62.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -662.723728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.723728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.723728 (E_RNA)
where:
Base-Base interactions energy: -453.877
where: short stacking energy: -187.127
Base-Backbone interact. energy: -0.234
local terms energy: -208.612735
where:
bonds (distance) C4'-P energy: -36.809
bonds (distance) P-C4' energy: -36.687
flat angles C4'-P-C4' energy: -44.775
flat angles P-C4'-P energy: -25.306
tors. eta vs tors. theta energy: -65.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -584.864598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.864598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.864598 (E_RNA)
where:
Base-Base interactions energy: -374.777
where: short stacking energy: -168.530
Base-Backbone interact. energy: -0.575
local terms energy: -209.512264
where:
bonds (distance) C4'-P energy: -38.850
bonds (distance) P-C4' energy: -42.342
flat angles C4'-P-C4' energy: -47.257
flat angles P-C4'-P energy: -27.807
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: 4, replica: 1
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -602.912384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.912384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.912384 (E_RNA)
where:
Base-Base interactions energy: -394.917
where: short stacking energy: -185.303
Base-Backbone interact. energy: -0.430
local terms energy: -207.565091
where:
bonds (distance) C4'-P energy: -32.992
bonds (distance) P-C4' energy: -46.222
flat angles C4'-P-C4' energy: -43.730
flat angles P-C4'-P energy: -31.353
tors. eta vs tors. theta energy: -53.268
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: 7
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -584.733412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.733412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.733412 (E_RNA)
where:
Base-Base interactions energy: -376.154
where: short stacking energy: -179.314
Base-Backbone interact. energy: -1.206
local terms energy: -207.374177
where:
bonds (distance) C4'-P energy: -35.083
bonds (distance) P-C4' energy: -41.606
flat angles C4'-P-C4' energy: -41.270
flat angles P-C4'-P energy: -34.349
tors. eta vs tors. theta energy: -55.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -488.123464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.123464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.123464 (E_RNA)
where:
Base-Base interactions energy: -318.972
where: short stacking energy: -138.727
Base-Backbone interact. energy: -0.873
local terms energy: -168.278614
where:
bonds (distance) C4'-P energy: -31.022
bonds (distance) P-C4' energy: -43.535
flat angles C4'-P-C4' energy: -37.638
flat angles P-C4'-P energy: -22.692
tors. eta vs tors. theta energy: -33.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -459.873795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.873795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.873795 (E_RNA)
where:
Base-Base interactions energy: -287.094
where: short stacking energy: -124.384
Base-Backbone interact. energy: -0.057
local terms energy: -172.722384
where:
bonds (distance) C4'-P energy: -31.603
bonds (distance) P-C4' energy: -40.075
flat angles C4'-P-C4' energy: -44.894
flat angles P-C4'-P energy: -20.019
tors. eta vs tors. theta energy: -36.130
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: 309
Temperature: 1.250000
Total energy: -204.093087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.093087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.093087 (E_RNA)
where:
Base-Base interactions energy: -80.430
where: short stacking energy: -70.513
Base-Backbone interact. energy: -0.386
local terms energy: -123.276911
where:
bonds (distance) C4'-P energy: -32.993
bonds (distance) P-C4' energy: -29.675
flat angles C4'-P-C4' energy: -30.864
flat angles P-C4'-P energy: -26.441
tors. eta vs tors. theta energy: -3.303
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: 8
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -185.207723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.207723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.207723 (E_RNA)
where:
Base-Base interactions energy: -59.187
where: short stacking energy: -54.858
Base-Backbone interact. energy: 1.363
local terms energy: -127.383629
where:
bonds (distance) C4'-P energy: -35.545
bonds (distance) P-C4' energy: -34.758
flat angles C4'-P-C4' energy: -29.345
flat angles P-C4'-P energy: -26.295
tors. eta vs tors. theta energy: -1.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -196.772296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.772296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.772296 (E_RNA)
where:
Base-Base interactions energy: -70.262
where: short stacking energy: -56.315
Base-Backbone interact. energy: -1.744
local terms energy: -124.765333
where:
bonds (distance) C4'-P energy: -30.720
bonds (distance) P-C4' energy: -34.037
flat angles C4'-P-C4' energy: -32.385
flat angles P-C4'-P energy: -22.703
tors. eta vs tors. theta energy: -4.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -703.072010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.072010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.072010 (E_RNA)
where:
Base-Base interactions energy: -475.829
where: short stacking energy: -200.535
Base-Backbone interact. energy: 0.087
local terms energy: -227.329217
where:
bonds (distance) C4'-P energy: -42.468
bonds (distance) P-C4' energy: -45.138
flat angles C4'-P-C4' energy: -46.411
flat angles P-C4'-P energy: -27.255
tors. eta vs tors. theta energy: -66.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -657.464843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.464843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.464843 (E_RNA)
where:
Base-Base interactions energy: -448.282
where: short stacking energy: -199.934
Base-Backbone interact. energy: 0.882
local terms energy: -210.065122
where:
bonds (distance) C4'-P energy: -39.624
bonds (distance) P-C4' energy: -42.789
flat angles C4'-P-C4' energy: -40.300
flat angles P-C4'-P energy: -25.640
tors. eta vs tors. theta energy: -61.712
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: 310
Temperature: 1.000000
Total energy: -624.023307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.023307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.023307 (E_RNA)
where:
Base-Base interactions energy: -425.956
where: short stacking energy: -181.692
Base-Backbone interact. energy: -1.228
local terms energy: -196.839281
where:
bonds (distance) C4'-P energy: -38.308
bonds (distance) P-C4' energy: -34.484
flat angles C4'-P-C4' energy: -37.047
flat angles P-C4'-P energy: -31.084
tors. eta vs tors. theta energy: -55.916
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: 2
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -568.288146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.288146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.288146 (E_RNA)
where:
Base-Base interactions energy: -364.308
where: short stacking energy: -185.636
Base-Backbone interact. energy: -0.155
local terms energy: -203.824700
where:
bonds (distance) C4'-P energy: -39.140
bonds (distance) P-C4' energy: -36.214
flat angles C4'-P-C4' energy: -46.329
flat angles P-C4'-P energy: -25.787
tors. eta vs tors. theta energy: -56.354
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: 7
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -585.812908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.812908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.812908 (E_RNA)
where:
Base-Base interactions energy: -369.097
where: short stacking energy: -178.849
Base-Backbone interact. energy: -0.500
local terms energy: -216.216283
where:
bonds (distance) C4'-P energy: -37.728
bonds (distance) P-C4' energy: -45.084
flat angles C4'-P-C4' energy: -46.597
flat angles P-C4'-P energy: -29.527
tors. eta vs tors. theta energy: -57.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -493.586002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.586002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.586002 (E_RNA)
where:
Base-Base interactions energy: -337.085
where: short stacking energy: -131.325
Base-Backbone interact. energy: -1.493
local terms energy: -155.008496
where:
bonds (distance) C4'-P energy: -32.384
bonds (distance) P-C4' energy: -36.582
flat angles C4'-P-C4' energy: -32.095
flat angles P-C4'-P energy: -22.217
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: 7, replica: 4
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -488.967935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.967935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.967935 (E_RNA)
where:
Base-Base interactions energy: -311.257
where: short stacking energy: -137.522
Base-Backbone interact. energy: -0.458
local terms energy: -177.252450
where:
bonds (distance) C4'-P energy: -35.431
bonds (distance) P-C4' energy: -35.842
flat angles C4'-P-C4' energy: -42.771
flat angles P-C4'-P energy: -26.368
tors. eta vs tors. theta energy: -36.840
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: 10
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -199.416137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.416137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.416137 (E_RNA)
where:
Base-Base interactions energy: -72.204
where: short stacking energy: -65.258
Base-Backbone interact. energy: -1.044
local terms energy: -126.168089
where:
bonds (distance) C4'-P energy: -38.081
bonds (distance) P-C4' energy: -35.467
flat angles C4'-P-C4' energy: -37.215
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -4.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -199.037725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.037725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.037725 (E_RNA)
where:
Base-Base interactions energy: -94.126
where: short stacking energy: -54.686
Base-Backbone interact. energy: -0.456
local terms energy: -104.455505
where:
bonds (distance) C4'-P energy: -23.752
bonds (distance) P-C4' energy: -42.092
flat angles C4'-P-C4' energy: -28.063
flat angles P-C4'-P energy: -17.240
tors. eta vs tors. theta energy: 6.692
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: 10, replica: 8
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -169.675971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.675971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.675971 (E_RNA)
where:
Base-Base interactions energy: -68.325
where: short stacking energy: -60.060
Base-Backbone interact. energy: 0.582
local terms energy: -101.932403
where:
bonds (distance) C4'-P energy: -33.154
bonds (distance) P-C4' energy: -29.139
flat angles C4'-P-C4' energy: -25.375
flat angles P-C4'-P energy: -14.344
tors. eta vs tors. theta energy: 0.080
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: 311
Temperature: 0.900000
Total energy: -690.337597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.337597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.337597 (E_RNA)
where:
Base-Base interactions energy: -458.264
where: short stacking energy: -195.321
Base-Backbone interact. energy: -0.381
local terms energy: -231.692317
where:
bonds (distance) C4'-P energy: -38.218
bonds (distance) P-C4' energy: -41.820
flat angles C4'-P-C4' energy: -48.806
flat angles P-C4'-P energy: -37.210
tors. eta vs tors. theta energy: -65.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -654.938240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.938240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.938240 (E_RNA)
where:
Base-Base interactions energy: -450.091
where: short stacking energy: -210.987
Base-Backbone interact. energy: -1.280
local terms energy: -203.567490
where:
bonds (distance) C4'-P energy: -31.206
bonds (distance) P-C4' energy: -42.546
flat angles C4'-P-C4' energy: -42.061
flat angles P-C4'-P energy: -27.478
tors. eta vs tors. theta energy: -60.276
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: 9
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -655.971188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.971188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.971188 (E_RNA)
where:
Base-Base interactions energy: -439.962
where: short stacking energy: -183.092
Base-Backbone interact. energy: 1.883
local terms energy: -217.893006
where:
bonds (distance) C4'-P energy: -39.572
bonds (distance) P-C4' energy: -38.965
flat angles C4'-P-C4' energy: -47.258
flat angles P-C4'-P energy: -28.471
tors. eta vs tors. theta energy: -63.627
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: 7
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -593.400863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.400863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.400863 (E_RNA)
where:
Base-Base interactions energy: -384.232
where: short stacking energy: -180.617
Base-Backbone interact. energy: -0.458
local terms energy: -208.711047
where:
bonds (distance) C4'-P energy: -37.139
bonds (distance) P-C4' energy: -47.354
flat angles C4'-P-C4' energy: -40.792
flat angles P-C4'-P energy: -26.581
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: 5, replica: 2
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -556.441094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.441094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.441094 (E_RNA)
where:
Base-Base interactions energy: -363.574
where: short stacking energy: -170.415
Base-Backbone interact. energy: -1.195
local terms energy: -191.672397
where:
bonds (distance) C4'-P energy: -34.328
bonds (distance) P-C4' energy: -39.793
flat angles C4'-P-C4' energy: -34.694
flat angles P-C4'-P energy: -29.999
tors. eta vs tors. theta energy: -52.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -569.288745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.288745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.288745 (E_RNA)
where:
Base-Base interactions energy: -394.760
where: short stacking energy: -153.914
Base-Backbone interact. energy: -0.195
local terms energy: -174.333686
where:
bonds (distance) C4'-P energy: -30.234
bonds (distance) P-C4' energy: -35.188
flat angles C4'-P-C4' energy: -35.757
flat angles P-C4'-P energy: -21.986
tors. eta vs tors. theta energy: -51.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -491.474889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.474889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.474889 (E_RNA)
where:
Base-Base interactions energy: -317.354
where: short stacking energy: -136.220
Base-Backbone interact. energy: 1.475
local terms energy: -175.595799
where:
bonds (distance) C4'-P energy: -38.622
bonds (distance) P-C4' energy: -38.566
flat angles C4'-P-C4' energy: -33.158
flat angles P-C4'-P energy: -24.073
tors. eta vs tors. theta energy: -41.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -205.235278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.235278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.235278 (E_RNA)
where:
Base-Base interactions energy: -77.582
where: short stacking energy: -67.231
Base-Backbone interact. energy: -0.734
local terms energy: -126.919449
where:
bonds (distance) C4'-P energy: -30.020
bonds (distance) P-C4' energy: -38.237
flat angles C4'-P-C4' energy: -31.259
flat angles P-C4'-P energy: -26.530
tors. eta vs tors. theta energy: -0.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -208.676316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.676316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.676316 (E_RNA)
where:
Base-Base interactions energy: -73.549
where: short stacking energy: -61.235
Base-Backbone interact. energy: -0.481
local terms energy: -134.645492
where:
bonds (distance) C4'-P energy: -39.700
bonds (distance) P-C4' energy: -36.318
flat angles C4'-P-C4' energy: -38.272
flat angles P-C4'-P energy: -11.469
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: 10, replica: 8
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -162.951229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.951229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.951229 (E_RNA)
where:
Base-Base interactions energy: -46.899
where: short stacking energy: -40.423
Base-Backbone interact. energy: 0.425
local terms energy: -116.477789
where:
bonds (distance) C4'-P energy: -32.863
bonds (distance) P-C4' energy: -47.416
flat angles C4'-P-C4' energy: -29.945
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: 9.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -680.651320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.651320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.651320 (E_RNA)
where:
Base-Base interactions energy: -453.482
where: short stacking energy: -186.210
Base-Backbone interact. energy: 0.314
local terms energy: -227.483565
where:
bonds (distance) C4'-P energy: -40.041
bonds (distance) P-C4' energy: -46.868
flat angles C4'-P-C4' energy: -47.309
flat angles P-C4'-P energy: -32.642
tors. eta vs tors. theta energy: -60.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -652.772276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.772276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.772276 (E_RNA)
where:
Base-Base interactions energy: -433.112
where: short stacking energy: -196.843
Base-Backbone interact. energy: -0.738
local terms energy: -218.921997
where:
bonds (distance) C4'-P energy: -35.930
bonds (distance) P-C4' energy: -40.779
flat angles C4'-P-C4' energy: -46.931
flat angles P-C4'-P energy: -34.710
tors. eta vs tors. theta energy: -60.572
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: 9
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -645.395118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.395118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.395118 (E_RNA)
where:
Base-Base interactions energy: -442.334
where: short stacking energy: -187.837
Base-Backbone interact. energy: 1.133
local terms energy: -204.193421
where:
bonds (distance) C4'-P energy: -36.026
bonds (distance) P-C4' energy: -38.207
flat angles C4'-P-C4' energy: -40.766
flat angles P-C4'-P energy: -33.826
tors. eta vs tors. theta energy: -55.368
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: 7
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -597.760423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.760423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.760423 (E_RNA)
where:
Base-Base interactions energy: -376.814
where: short stacking energy: -179.179
Base-Backbone interact. energy: -0.356
local terms energy: -220.590960
where:
bonds (distance) C4'-P energy: -36.616
bonds (distance) P-C4' energy: -47.992
flat angles C4'-P-C4' energy: -44.099
flat angles P-C4'-P energy: -30.117
tors. eta vs tors. theta energy: -61.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -537.062044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.062044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.062044 (E_RNA)
where:
Base-Base interactions energy: -351.984
where: short stacking energy: -159.511
Base-Backbone interact. energy: -0.431
local terms energy: -184.646730
where:
bonds (distance) C4'-P energy: -32.200
bonds (distance) P-C4' energy: -46.437
flat angles C4'-P-C4' energy: -32.439
flat angles P-C4'-P energy: -24.369
tors. eta vs tors. theta energy: -49.202
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: 4
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -526.739209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.739209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.739209 (E_RNA)
where:
Base-Base interactions energy: -358.230
where: short stacking energy: -145.440
Base-Backbone interact. energy: -0.339
local terms energy: -168.170369
where:
bonds (distance) C4'-P energy: -33.422
bonds (distance) P-C4' energy: -34.175
flat angles C4'-P-C4' energy: -35.965
flat angles P-C4'-P energy: -20.581
tors. eta vs tors. theta energy: -44.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -457.682708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.682708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.682708 (E_RNA)
where:
Base-Base interactions energy: -301.015
where: short stacking energy: -114.655
Base-Backbone interact. energy: 1.179
local terms energy: -157.846308
where:
bonds (distance) C4'-P energy: -33.313
bonds (distance) P-C4' energy: -34.783
flat angles C4'-P-C4' energy: -32.527
flat angles P-C4'-P energy: -27.323
tors. eta vs tors. theta energy: -29.900
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: 10
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -182.265829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.265829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.265829 (E_RNA)
where:
Base-Base interactions energy: -79.991
where: short stacking energy: -56.225
Base-Backbone interact. energy: -0.531
local terms energy: -101.743914
where:
bonds (distance) C4'-P energy: -28.053
bonds (distance) P-C4' energy: -39.863
flat angles C4'-P-C4' energy: -24.281
flat angles P-C4'-P energy: -15.182
tors. eta vs tors. theta energy: 5.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -191.467634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.467634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.467634 (E_RNA)
where:
Base-Base interactions energy: -81.493
where: short stacking energy: -56.544
Base-Backbone interact. energy: 0.194
local terms energy: -110.168323
where:
bonds (distance) C4'-P energy: -34.574
bonds (distance) P-C4' energy: -40.549
flat angles C4'-P-C4' energy: -26.036
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: 1.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -196.514653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.514653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.514653 (E_RNA)
where:
Base-Base interactions energy: -81.763
where: short stacking energy: -54.088
Base-Backbone interact. energy: 1.761
local terms energy: -116.512952
where:
bonds (distance) C4'-P energy: -36.338
bonds (distance) P-C4' energy: -36.930
flat angles C4'-P-C4' energy: -25.797
flat angles P-C4'-P energy: -14.069
tors. eta vs tors. theta energy: -3.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -678.669955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.669955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.669955 (E_RNA)
where:
Base-Base interactions energy: -466.387
where: short stacking energy: -195.921
Base-Backbone interact. energy: -0.661
local terms energy: -211.622061
where:
bonds (distance) C4'-P energy: -39.357
bonds (distance) P-C4' energy: -36.715
flat angles C4'-P-C4' energy: -43.654
flat angles P-C4'-P energy: -31.145
tors. eta vs tors. theta energy: -60.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -657.515926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.515926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.515926 (E_RNA)
where:
Base-Base interactions energy: -442.284
where: short stacking energy: -185.808
Base-Backbone interact. energy: -0.182
local terms energy: -215.050265
where:
bonds (distance) C4'-P energy: -43.440
bonds (distance) P-C4' energy: -46.330
flat angles C4'-P-C4' energy: -44.324
flat angles P-C4'-P energy: -21.712
tors. eta vs tors. theta energy: -59.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -640.098881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.098881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.098881 (E_RNA)
where:
Base-Base interactions energy: -444.859
where: short stacking energy: -189.163
Base-Backbone interact. energy: 0.529
local terms energy: -195.769140
where:
bonds (distance) C4'-P energy: -27.528
bonds (distance) P-C4' energy: -43.134
flat angles C4'-P-C4' energy: -45.870
flat angles P-C4'-P energy: -27.878
tors. eta vs tors. theta energy: -51.360
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: 7
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -580.213747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.213747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.213747 (E_RNA)
where:
Base-Base interactions energy: -377.908
where: short stacking energy: -180.678
Base-Backbone interact. energy: 0.924
local terms energy: -203.230511
where:
bonds (distance) C4'-P energy: -39.834
bonds (distance) P-C4' energy: -40.351
flat angles C4'-P-C4' energy: -33.836
flat angles P-C4'-P energy: -30.862
tors. eta vs tors. theta energy: -58.348
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: 2
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -557.613925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.613925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.613925 (E_RNA)
where:
Base-Base interactions energy: -368.846
where: short stacking energy: -165.927
Base-Backbone interact. energy: -0.113
local terms energy: -188.655109
where:
bonds (distance) C4'-P energy: -34.145
bonds (distance) P-C4' energy: -41.090
flat angles C4'-P-C4' energy: -31.581
flat angles P-C4'-P energy: -29.406
tors. eta vs tors. theta energy: -52.432
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: 4
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -535.733969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.733969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.733969 (E_RNA)
where:
Base-Base interactions energy: -370.938
where: short stacking energy: -137.854
Base-Backbone interact. energy: -0.244
local terms energy: -164.552082
where:
bonds (distance) C4'-P energy: -36.843
bonds (distance) P-C4' energy: -34.042
flat angles C4'-P-C4' energy: -32.509
flat angles P-C4'-P energy: -26.476
tors. eta vs tors. theta energy: -34.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -417.991095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.991095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.991095 (E_RNA)
where:
Base-Base interactions energy: -269.832
where: short stacking energy: -120.119
Base-Backbone interact. energy: -0.260
local terms energy: -147.899443
where:
bonds (distance) C4'-P energy: -23.720
bonds (distance) P-C4' energy: -35.844
flat angles C4'-P-C4' energy: -28.506
flat angles P-C4'-P energy: -25.558
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: 10
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -205.308855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.308855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.308855 (E_RNA)
where:
Base-Base interactions energy: -76.127
where: short stacking energy: -50.919
Base-Backbone interact. energy: -0.549
local terms energy: -128.632882
where:
bonds (distance) C4'-P energy: -41.136
bonds (distance) P-C4' energy: -41.219
flat angles C4'-P-C4' energy: -23.124
flat angles P-C4'-P energy: -26.423
tors. eta vs tors. theta energy: 3.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -182.879879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.879879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.879879 (E_RNA)
where:
Base-Base interactions energy: -66.694
where: short stacking energy: -55.868
Base-Backbone interact. energy: -1.109
local terms energy: -115.076999
where:
bonds (distance) C4'-P energy: -30.014
bonds (distance) P-C4' energy: -37.796
flat angles C4'-P-C4' energy: -33.802
flat angles P-C4'-P energy: -17.919
tors. eta vs tors. theta energy: 4.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -177.998445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.998445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.998445 (E_RNA)
where:
Base-Base interactions energy: -58.018
where: short stacking energy: -52.965
Base-Backbone interact. energy: -0.388
local terms energy: -119.592093
where:
bonds (distance) C4'-P energy: -27.915
bonds (distance) P-C4' energy: -34.041
flat angles C4'-P-C4' energy: -32.782
flat angles P-C4'-P energy: -18.149
tors. eta vs tors. theta energy: -6.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -674.457279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.457279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.457279 (E_RNA)
where:
Base-Base interactions energy: -455.101
where: short stacking energy: -196.940
Base-Backbone interact. energy: 0.927
local terms energy: -220.283020
where:
bonds (distance) C4'-P energy: -40.369
bonds (distance) P-C4' energy: -40.309
flat angles C4'-P-C4' energy: -48.586
flat angles P-C4'-P energy: -29.658
tors. eta vs tors. theta energy: -61.361
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: 314
Temperature: 0.950000
Total energy: -671.892269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.892269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.892269 (E_RNA)
where:
Base-Base interactions energy: -451.512
where: short stacking energy: -180.483
Base-Backbone interact. energy: -0.849
local terms energy: -219.531614
where:
bonds (distance) C4'-P energy: -43.628
bonds (distance) P-C4' energy: -39.312
flat angles C4'-P-C4' energy: -43.542
flat angles P-C4'-P energy: -29.968
tors. eta vs tors. theta energy: -63.082
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: 314
Temperature: 1.000000
Total energy: -646.176464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.176464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.176464 (E_RNA)
where:
Base-Base interactions energy: -434.992
where: short stacking energy: -192.020
Base-Backbone interact. energy: -1.503
local terms energy: -209.681885
where:
bonds (distance) C4'-P energy: -31.944
bonds (distance) P-C4' energy: -41.017
flat angles C4'-P-C4' energy: -41.519
flat angles P-C4'-P energy: -35.056
tors. eta vs tors. theta energy: -60.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -578.544711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.544711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.544711 (E_RNA)
where:
Base-Base interactions energy: -378.669
where: short stacking energy: -177.059
Base-Backbone interact. energy: -0.475
local terms energy: -199.400359
where:
bonds (distance) C4'-P energy: -37.848
bonds (distance) P-C4' energy: -39.281
flat angles C4'-P-C4' energy: -35.897
flat angles P-C4'-P energy: -30.078
tors. eta vs tors. theta energy: -56.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -569.780926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.780926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.780926 (E_RNA)
where:
Base-Base interactions energy: -375.576
where: short stacking energy: -166.103
Base-Backbone interact. energy: -0.938
local terms energy: -193.267109
where:
bonds (distance) C4'-P energy: -33.490
bonds (distance) P-C4' energy: -41.389
flat angles C4'-P-C4' energy: -39.372
flat angles P-C4'-P energy: -31.476
tors. eta vs tors. theta energy: -47.540
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: 4
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -536.904481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.904481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.904481 (E_RNA)
where:
Base-Base interactions energy: -354.246
where: short stacking energy: -148.961
Base-Backbone interact. energy: -0.582
local terms energy: -182.076946
where:
bonds (distance) C4'-P energy: -31.061
bonds (distance) P-C4' energy: -31.151
flat angles C4'-P-C4' energy: -40.399
flat angles P-C4'-P energy: -31.510
tors. eta vs tors. theta energy: -47.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -433.919609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.919609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.919609 (E_RNA)
where:
Base-Base interactions energy: -278.178
where: short stacking energy: -120.172
Base-Backbone interact. energy: -0.142
local terms energy: -155.599536
where:
bonds (distance) C4'-P energy: -28.387
bonds (distance) P-C4' energy: -34.508
flat angles C4'-P-C4' energy: -39.749
flat angles P-C4'-P energy: -18.740
tors. eta vs tors. theta energy: -34.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -201.848844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.848844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.848844 (E_RNA)
where:
Base-Base interactions energy: -73.091
where: short stacking energy: -45.151
Base-Backbone interact. energy: -0.053
local terms energy: -128.704572
where:
bonds (distance) C4'-P energy: -34.443
bonds (distance) P-C4' energy: -40.602
flat angles C4'-P-C4' energy: -33.130
flat angles P-C4'-P energy: -21.780
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: 9, replica: 6
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -176.725670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.725670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.725670 (E_RNA)
where:
Base-Base interactions energy: -53.493
where: short stacking energy: -45.344
Base-Backbone interact. energy: 1.977
local terms energy: -125.209806
where:
bonds (distance) C4'-P energy: -37.743
bonds (distance) P-C4' energy: -35.634
flat angles C4'-P-C4' energy: -34.642
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -4.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -186.334655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.334655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.334655 (E_RNA)
where:
Base-Base interactions energy: -70.548
where: short stacking energy: -60.471
Base-Backbone interact. energy: 2.304
local terms energy: -118.090746
where:
bonds (distance) C4'-P energy: -37.022
bonds (distance) P-C4' energy: -37.696
flat angles C4'-P-C4' energy: -29.983
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -0.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -684.100877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.100877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.100877 (E_RNA)
where:
Base-Base interactions energy: -475.899
where: short stacking energy: -199.019
Base-Backbone interact. energy: 0.737
local terms energy: -208.939147
where:
bonds (distance) C4'-P energy: -45.651
bonds (distance) P-C4' energy: -35.429
flat angles C4'-P-C4' energy: -40.249
flat angles P-C4'-P energy: -28.474
tors. eta vs tors. theta energy: -59.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -673.258399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.258399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.258399 (E_RNA)
where:
Base-Base interactions energy: -456.034
where: short stacking energy: -183.571
Base-Backbone interact. energy: -0.917
local terms energy: -216.306841
where:
bonds (distance) C4'-P energy: -42.508
bonds (distance) P-C4' energy: -43.882
flat angles C4'-P-C4' energy: -42.424
flat angles P-C4'-P energy: -28.730
tors. eta vs tors. theta energy: -58.763
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: 3, replica: 1
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -631.510727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.510727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.510727 (E_RNA)
where:
Base-Base interactions energy: -444.506
where: short stacking energy: -209.073
Base-Backbone interact. energy: -1.670
local terms energy: -185.334602
where:
bonds (distance) C4'-P energy: -24.292
bonds (distance) P-C4' energy: -36.479
flat angles C4'-P-C4' energy: -40.874
flat angles P-C4'-P energy: -27.509
tors. eta vs tors. theta energy: -56.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -565.809073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.809073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.809073 (E_RNA)
where:
Base-Base interactions energy: -349.838
where: short stacking energy: -161.455
Base-Backbone interact. energy: -2.489
local terms energy: -213.481704
where:
bonds (distance) C4'-P energy: -43.555
bonds (distance) P-C4' energy: -48.656
flat angles C4'-P-C4' energy: -36.933
flat angles P-C4'-P energy: -27.794
tors. eta vs tors. theta energy: -56.543
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: 2
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -549.770951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.770951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.770951 (E_RNA)
where:
Base-Base interactions energy: -354.197
where: short stacking energy: -155.469
Base-Backbone interact. energy: -0.213
local terms energy: -195.361294
where:
bonds (distance) C4'-P energy: -35.501
bonds (distance) P-C4' energy: -43.491
flat angles C4'-P-C4' energy: -39.998
flat angles P-C4'-P energy: -27.803
tors. eta vs tors. theta energy: -48.568
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: 4
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -547.161926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.161926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.161926 (E_RNA)
where:
Base-Base interactions energy: -368.042
where: short stacking energy: -152.220
Base-Backbone interact. energy: -1.049
local terms energy: -178.070729
where:
bonds (distance) C4'-P energy: -37.891
bonds (distance) P-C4' energy: -38.329
flat angles C4'-P-C4' energy: -33.317
flat angles P-C4'-P energy: -20.905
tors. eta vs tors. theta energy: -47.628
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: 5
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -457.183647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.183647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.183647 (E_RNA)
where:
Base-Base interactions energy: -309.539
where: short stacking energy: -126.870
Base-Backbone interact. energy: -0.810
local terms energy: -146.835001
where:
bonds (distance) C4'-P energy: -30.937
bonds (distance) P-C4' energy: -29.957
flat angles C4'-P-C4' energy: -37.661
flat angles P-C4'-P energy: -21.123
tors. eta vs tors. theta energy: -27.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -209.967442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.967442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.967442 (E_RNA)
where:
Base-Base interactions energy: -85.938
where: short stacking energy: -73.188
Base-Backbone interact. energy: 1.414
local terms energy: -125.443132
where:
bonds (distance) C4'-P energy: -28.493
bonds (distance) P-C4' energy: -38.544
flat angles C4'-P-C4' energy: -42.487
flat angles P-C4'-P energy: -18.801
tors. eta vs tors. theta energy: 2.881
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: 315
Temperature: 1.300000
Total energy: -183.333003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.333003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.333003 (E_RNA)
where:
Base-Base interactions energy: -57.704
where: short stacking energy: -56.270
Base-Backbone interact. energy: 0.752
local terms energy: -126.380082
where:
bonds (distance) C4'-P energy: -34.812
bonds (distance) P-C4' energy: -38.638
flat angles C4'-P-C4' energy: -35.512
flat angles P-C4'-P energy: -18.765
tors. eta vs tors. theta energy: 1.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -186.023673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.023673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.023673 (E_RNA)
where:
Base-Base interactions energy: -70.582
where: short stacking energy: -57.022
Base-Backbone interact. energy: -0.199
local terms energy: -115.242793
where:
bonds (distance) C4'-P energy: -28.623
bonds (distance) P-C4' energy: -38.078
flat angles C4'-P-C4' energy: -31.999
flat angles P-C4'-P energy: -13.832
tors. eta vs tors. theta energy: -2.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -683.459932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.459932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.459932 (E_RNA)
where:
Base-Base interactions energy: -465.556
where: short stacking energy: -177.314
Base-Backbone interact. energy: -0.703
local terms energy: -217.201176
where:
bonds (distance) C4'-P energy: -43.992
bonds (distance) P-C4' energy: -38.554
flat angles C4'-P-C4' energy: -42.671
flat angles P-C4'-P energy: -30.893
tors. eta vs tors. theta energy: -61.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -660.144990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.144990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.144990 (E_RNA)
where:
Base-Base interactions energy: -445.078
where: short stacking energy: -177.685
Base-Backbone interact. energy: -0.191
local terms energy: -214.876074
where:
bonds (distance) C4'-P energy: -31.372
bonds (distance) P-C4' energy: -44.570
flat angles C4'-P-C4' energy: -50.088
flat angles P-C4'-P energy: -30.455
tors. eta vs tors. theta energy: -58.391
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: 1
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -663.758334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.758334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.758334 (E_RNA)
where:
Base-Base interactions energy: -450.792
where: short stacking energy: -207.616
Base-Backbone interact. energy: -1.253
local terms energy: -211.713968
where:
bonds (distance) C4'-P energy: -36.863
bonds (distance) P-C4' energy: -34.371
flat angles C4'-P-C4' energy: -46.650
flat angles P-C4'-P energy: -32.357
tors. eta vs tors. theta energy: -61.473
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: 4, replica: 7
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -570.223346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.223346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.223346 (E_RNA)
where:
Base-Base interactions energy: -376.680
where: short stacking energy: -178.632
Base-Backbone interact. energy: -0.541
local terms energy: -193.001539
where:
bonds (distance) C4'-P energy: -36.871
bonds (distance) P-C4' energy: -42.470
flat angles C4'-P-C4' energy: -41.356
flat angles P-C4'-P energy: -24.095
tors. eta vs tors. theta energy: -48.210
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: 4
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -581.497381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.497381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.497381 (E_RNA)
where:
Base-Base interactions energy: -393.395
where: short stacking energy: -159.406
Base-Backbone interact. energy: -0.738
local terms energy: -187.365223
where:
bonds (distance) C4'-P energy: -30.902
bonds (distance) P-C4' energy: -35.345
flat angles C4'-P-C4' energy: -41.878
flat angles P-C4'-P energy: -24.234
tors. eta vs tors. theta energy: -55.006
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: 316
Temperature: 1.150000
Total energy: -555.800466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.800466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.800466 (E_RNA)
where:
Base-Base interactions energy: -359.814
where: short stacking energy: -170.354
Base-Backbone interact. energy: -1.662
local terms energy: -194.324222
where:
bonds (distance) C4'-P energy: -36.445
bonds (distance) P-C4' energy: -43.340
flat angles C4'-P-C4' energy: -44.057
flat angles P-C4'-P energy: -21.061
tors. eta vs tors. theta energy: -49.422
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: 7, replica: 5
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -485.120092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.120092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.120092 (E_RNA)
where:
Base-Base interactions energy: -334.759
where: short stacking energy: -131.328
Base-Backbone interact. energy: -1.095
local terms energy: -149.265995
where:
bonds (distance) C4'-P energy: -29.414
bonds (distance) P-C4' energy: -40.306
flat angles C4'-P-C4' energy: -30.426
flat angles P-C4'-P energy: -20.190
tors. eta vs tors. theta energy: -28.931
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: 10
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -193.330557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.330557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.330557 (E_RNA)
where:
Base-Base interactions energy: -60.768
where: short stacking energy: -59.908
Base-Backbone interact. energy: -1.161
local terms energy: -131.400785
where:
bonds (distance) C4'-P energy: -33.014
bonds (distance) P-C4' energy: -38.312
flat angles C4'-P-C4' energy: -40.021
flat angles P-C4'-P energy: -18.462
tors. eta vs tors. theta energy: -1.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -189.194940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.194940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.194940 (E_RNA)
where:
Base-Base interactions energy: -75.578
where: short stacking energy: -67.905
Base-Backbone interact. energy: 0.129
local terms energy: -113.746130
where:
bonds (distance) C4'-P energy: -36.243
bonds (distance) P-C4' energy: -36.919
flat angles C4'-P-C4' energy: -18.547
flat angles P-C4'-P energy: -20.581
tors. eta vs tors. theta energy: -1.456
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: 6
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -170.038799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.038799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.038799 (E_RNA)
where:
Base-Base interactions energy: -40.561
where: short stacking energy: -35.273
Base-Backbone interact. energy: -0.463
local terms energy: -129.014877
where:
bonds (distance) C4'-P energy: -42.712
bonds (distance) P-C4' energy: -37.553
flat angles C4'-P-C4' energy: -28.917
flat angles P-C4'-P energy: -17.940
tors. eta vs tors. theta energy: -1.893
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: 1, replica: 3
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -686.175784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.175784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.175784 (E_RNA)
where:
Base-Base interactions energy: -471.179
where: short stacking energy: -192.031
Base-Backbone interact. energy: -0.277
local terms energy: -214.719651
where:
bonds (distance) C4'-P energy: -45.835
bonds (distance) P-C4' energy: -33.190
flat angles C4'-P-C4' energy: -44.808
flat angles P-C4'-P energy: -27.625
tors. eta vs tors. theta energy: -63.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -664.910433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.910433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.910433 (E_RNA)
where:
Base-Base interactions energy: -455.908
where: short stacking energy: -189.853
Base-Backbone interact. energy: -0.634
local terms energy: -208.369168
where:
bonds (distance) C4'-P energy: -37.905
bonds (distance) P-C4' energy: -37.411
flat angles C4'-P-C4' energy: -41.821
flat angles P-C4'-P energy: -26.880
tors. eta vs tors. theta energy: -64.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -641.474877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.474877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.474877 (E_RNA)
where:
Base-Base interactions energy: -429.317
where: short stacking energy: -201.601
Base-Backbone interact. energy: 0.987
local terms energy: -213.144955
where:
bonds (distance) C4'-P energy: -46.368
bonds (distance) P-C4' energy: -34.762
flat angles C4'-P-C4' energy: -44.179
flat angles P-C4'-P energy: -27.350
tors. eta vs tors. theta energy: -60.486
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: 4
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -596.468952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.468952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.468952 (E_RNA)
where:
Base-Base interactions energy: -403.937
where: short stacking energy: -166.365
Base-Backbone interact. energy: 0.838
local terms energy: -193.369671
where:
bonds (distance) C4'-P energy: -37.290
bonds (distance) P-C4' energy: -40.527
flat angles C4'-P-C4' energy: -42.703
flat angles P-C4'-P energy: -25.463
tors. eta vs tors. theta energy: -47.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -572.362390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.362390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.362390 (E_RNA)
where:
Base-Base interactions energy: -378.232
where: short stacking energy: -163.660
Base-Backbone interact. energy: -0.284
local terms energy: -193.847139
where:
bonds (distance) C4'-P energy: -43.131
bonds (distance) P-C4' energy: -31.583
flat angles C4'-P-C4' energy: -41.441
flat angles P-C4'-P energy: -20.306
tors. eta vs tors. theta energy: -57.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -530.202170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.202170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.202170 (E_RNA)
where:
Base-Base interactions energy: -353.490
where: short stacking energy: -176.892
Base-Backbone interact. energy: -0.245
local terms energy: -176.467162
where:
bonds (distance) C4'-P energy: -28.001
bonds (distance) P-C4' energy: -35.654
flat angles C4'-P-C4' energy: -37.397
flat angles P-C4'-P energy: -23.790
tors. eta vs tors. theta energy: -51.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -479.316475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.316475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.316475 (E_RNA)
where:
Base-Base interactions energy: -302.979
where: short stacking energy: -127.877
Base-Backbone interact. energy: 1.670
local terms energy: -178.007960
where:
bonds (distance) C4'-P energy: -32.676
bonds (distance) P-C4' energy: -40.240
flat angles C4'-P-C4' energy: -39.765
flat angles P-C4'-P energy: -26.028
tors. eta vs tors. theta energy: -39.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -182.097389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.097389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.097389 (E_RNA)
where:
Base-Base interactions energy: -63.682
where: short stacking energy: -38.736
Base-Backbone interact. energy: 0.224
local terms energy: -118.639041
where:
bonds (distance) C4'-P energy: -43.281
bonds (distance) P-C4' energy: -31.844
flat angles C4'-P-C4' energy: -24.274
flat angles P-C4'-P energy: -19.760
tors. eta vs tors. theta energy: 0.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -178.524522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.524522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.524522 (E_RNA)
where:
Base-Base interactions energy: -71.156
where: short stacking energy: -64.073
Base-Backbone interact. energy: 1.489
local terms energy: -108.857923
where:
bonds (distance) C4'-P energy: -33.220
bonds (distance) P-C4' energy: -37.443
flat angles C4'-P-C4' energy: -21.346
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -5.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -167.544266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.544266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.544266 (E_RNA)
where:
Base-Base interactions energy: -56.460
where: short stacking energy: -39.653
Base-Backbone interact. energy: 2.312
local terms energy: -113.396840
where:
bonds (distance) C4'-P energy: -33.886
bonds (distance) P-C4' energy: -25.153
flat angles C4'-P-C4' energy: -39.703
flat angles P-C4'-P energy: -18.896
tors. eta vs tors. theta energy: 4.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -673.792126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.792126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.792126 (E_RNA)
where:
Base-Base interactions energy: -467.969
where: short stacking energy: -198.626
Base-Backbone interact. energy: 0.002
local terms energy: -205.825998
where:
bonds (distance) C4'-P energy: -33.335
bonds (distance) P-C4' energy: -41.614
flat angles C4'-P-C4' energy: -46.607
flat angles P-C4'-P energy: -26.939
tors. eta vs tors. theta energy: -57.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -663.771949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.771949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.771949 (E_RNA)
where:
Base-Base interactions energy: -463.074
where: short stacking energy: -173.200
Base-Backbone interact. energy: -0.507
local terms energy: -200.190764
where:
bonds (distance) C4'-P energy: -41.964
bonds (distance) P-C4' energy: -38.341
flat angles C4'-P-C4' energy: -45.222
flat angles P-C4'-P energy: -20.472
tors. eta vs tors. theta energy: -54.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -629.794154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.794154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.794154 (E_RNA)
where:
Base-Base interactions energy: -419.378
where: short stacking energy: -183.068
Base-Backbone interact. energy: -1.211
local terms energy: -209.204860
where:
bonds (distance) C4'-P energy: -38.410
bonds (distance) P-C4' energy: -39.742
flat angles C4'-P-C4' energy: -46.006
flat angles P-C4'-P energy: -30.887
tors. eta vs tors. theta energy: -54.159
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: 4
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -567.157099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.157099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.157099 (E_RNA)
where:
Base-Base interactions energy: -373.519
where: short stacking energy: -156.710
Base-Backbone interact. energy: -0.903
local terms energy: -192.734733
where:
bonds (distance) C4'-P energy: -32.950
bonds (distance) P-C4' energy: -44.117
flat angles C4'-P-C4' energy: -40.509
flat angles P-C4'-P energy: -30.925
tors. eta vs tors. theta energy: -44.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -556.488574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.488574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.488574 (E_RNA)
where:
Base-Base interactions energy: -367.642
where: short stacking energy: -175.910
Base-Backbone interact. energy: -0.352
local terms energy: -188.494011
where:
bonds (distance) C4'-P energy: -28.885
bonds (distance) P-C4' energy: -36.988
flat angles C4'-P-C4' energy: -42.022
flat angles P-C4'-P energy: -25.556
tors. eta vs tors. theta energy: -55.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -547.394839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.394839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.394839 (E_RNA)
where:
Base-Base interactions energy: -361.000
where: short stacking energy: -160.195
Base-Backbone interact. energy: -1.613
local terms energy: -184.781348
where:
bonds (distance) C4'-P energy: -38.197
bonds (distance) P-C4' energy: -35.326
flat angles C4'-P-C4' energy: -37.430
flat angles P-C4'-P energy: -30.148
tors. eta vs tors. theta energy: -43.680
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: 7, replica: 5
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -464.657631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.657631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.657631 (E_RNA)
where:
Base-Base interactions energy: -304.304
where: short stacking energy: -136.530
Base-Backbone interact. energy: -0.765
local terms energy: -159.589183
where:
bonds (distance) C4'-P energy: -35.952
bonds (distance) P-C4' energy: -36.362
flat angles C4'-P-C4' energy: -32.643
flat angles P-C4'-P energy: -19.079
tors. eta vs tors. theta energy: -35.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -216.007277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.007277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.007277 (E_RNA)
where:
Base-Base interactions energy: -72.621
where: short stacking energy: -66.889
Base-Backbone interact. energy: -0.441
local terms energy: -142.945128
where:
bonds (distance) C4'-P energy: -36.075
bonds (distance) P-C4' energy: -42.589
flat angles C4'-P-C4' energy: -31.749
flat angles P-C4'-P energy: -25.513
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: 9, replica: 8
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -175.638405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.638405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.638405 (E_RNA)
where:
Base-Base interactions energy: -71.589
where: short stacking energy: -50.851
Base-Backbone interact. energy: -0.505
local terms energy: -103.543863
where:
bonds (distance) C4'-P energy: -35.209
bonds (distance) P-C4' energy: -35.112
flat angles C4'-P-C4' energy: -28.855
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: 10.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -170.627074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.627074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.627074 (E_RNA)
where:
Base-Base interactions energy: -57.815
where: short stacking energy: -37.694
Base-Backbone interact. energy: -0.610
local terms energy: -112.201944
where:
bonds (distance) C4'-P energy: -31.451
bonds (distance) P-C4' energy: -36.160
flat angles C4'-P-C4' energy: -36.780
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: 2.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -670.076704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.076704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.076704 (E_RNA)
where:
Base-Base interactions energy: -452.717
where: short stacking energy: -182.140
Base-Backbone interact. energy: 0.380
local terms energy: -217.738974
where:
bonds (distance) C4'-P energy: -41.269
bonds (distance) P-C4' energy: -40.517
flat angles C4'-P-C4' energy: -41.009
flat angles P-C4'-P energy: -36.257
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: 3
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -664.096057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.096057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.096057 (E_RNA)
where:
Base-Base interactions energy: -450.900
where: short stacking energy: -179.690
Base-Backbone interact. energy: -0.354
local terms energy: -212.841489
where:
bonds (distance) C4'-P energy: -37.976
bonds (distance) P-C4' energy: -43.025
flat angles C4'-P-C4' energy: -48.300
flat angles P-C4'-P energy: -29.296
tors. eta vs tors. theta energy: -54.245
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: 1
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -654.987206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.987206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.987206 (E_RNA)
where:
Base-Base interactions energy: -448.893
where: short stacking energy: -206.496
Base-Backbone interact. energy: 1.421
local terms energy: -207.515593
where:
bonds (distance) C4'-P energy: -32.023
bonds (distance) P-C4' energy: -39.341
flat angles C4'-P-C4' energy: -47.204
flat angles P-C4'-P energy: -27.526
tors. eta vs tors. theta energy: -61.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -609.180572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.180572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.180572 (E_RNA)
where:
Base-Base interactions energy: -412.798
where: short stacking energy: -180.921
Base-Backbone interact. energy: -0.338
local terms energy: -196.044695
where:
bonds (distance) C4'-P energy: -37.926
bonds (distance) P-C4' energy: -33.013
flat angles C4'-P-C4' energy: -42.539
flat angles P-C4'-P energy: -30.762
tors. eta vs tors. theta energy: -51.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -566.301946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.301946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.301946 (E_RNA)
where:
Base-Base interactions energy: -379.731
where: short stacking energy: -173.965
Base-Backbone interact. energy: -0.009
local terms energy: -186.561769
where:
bonds (distance) C4'-P energy: -37.052
bonds (distance) P-C4' energy: -31.296
flat angles C4'-P-C4' energy: -37.333
flat angles P-C4'-P energy: -20.104
tors. eta vs tors. theta energy: -60.777
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: 7
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -564.021470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.021470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.021470 (E_RNA)
where:
Base-Base interactions energy: -380.190
where: short stacking energy: -175.435
Base-Backbone interact. energy: -0.766
local terms energy: -183.065240
where:
bonds (distance) C4'-P energy: -34.291
bonds (distance) P-C4' energy: -34.465
flat angles C4'-P-C4' energy: -38.626
flat angles P-C4'-P energy: -23.703
tors. eta vs tors. theta energy: -51.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -436.531454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.531454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.531454 (E_RNA)
where:
Base-Base interactions energy: -279.343
where: short stacking energy: -110.004
Base-Backbone interact. energy: -1.425
local terms energy: -155.763240
where:
bonds (distance) C4'-P energy: -31.352
bonds (distance) P-C4' energy: -36.760
flat angles C4'-P-C4' energy: -34.822
flat angles P-C4'-P energy: -25.614
tors. eta vs tors. theta energy: -27.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -194.920055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.920055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.920055 (E_RNA)
where:
Base-Base interactions energy: -61.476
where: short stacking energy: -58.969
Base-Backbone interact. energy: 0.106
local terms energy: -133.550462
where:
bonds (distance) C4'-P energy: -33.581
bonds (distance) P-C4' energy: -35.611
flat angles C4'-P-C4' energy: -30.166
flat angles P-C4'-P energy: -18.717
tors. eta vs tors. theta energy: -15.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -172.860891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.860891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.860891 (E_RNA)
where:
Base-Base interactions energy: -59.583
where: short stacking energy: -45.260
Base-Backbone interact. energy: 1.724
local terms energy: -115.001670
where:
bonds (distance) C4'-P energy: -33.278
bonds (distance) P-C4' energy: -39.272
flat angles C4'-P-C4' energy: -30.101
flat angles P-C4'-P energy: -16.760
tors. eta vs tors. theta energy: 4.408
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: 319
Temperature: 1.350000
Total energy: -216.468211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.468211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.468211 (E_RNA)
where:
Base-Base interactions energy: -103.106
where: short stacking energy: -58.279
Base-Backbone interact. energy: -1.118
local terms energy: -112.244679
where:
bonds (distance) C4'-P energy: -38.634
bonds (distance) P-C4' energy: -23.892
flat angles C4'-P-C4' energy: -37.616
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -1.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -679.168286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.168286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.168286 (E_RNA)
where:
Base-Base interactions energy: -454.788
where: short stacking energy: -184.896
Base-Backbone interact. energy: -1.993
local terms energy: -222.386974
where:
bonds (distance) C4'-P energy: -39.496
bonds (distance) P-C4' energy: -46.679
flat angles C4'-P-C4' energy: -43.774
flat angles P-C4'-P energy: -34.016
tors. eta vs tors. theta energy: -58.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -659.224823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.224823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.224823 (E_RNA)
where:
Base-Base interactions energy: -449.708
where: short stacking energy: -185.583
Base-Backbone interact. energy: -0.448
local terms energy: -209.069030
where:
bonds (distance) C4'-P energy: -39.955
bonds (distance) P-C4' energy: -40.102
flat angles C4'-P-C4' energy: -39.478
flat angles P-C4'-P energy: -33.687
tors. eta vs tors. theta energy: -55.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -631.126065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.126065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.126065 (E_RNA)
where:
Base-Base interactions energy: -429.511
where: short stacking energy: -199.043
Base-Backbone interact. energy: -0.050
local terms energy: -201.565761
where:
bonds (distance) C4'-P energy: -39.321
bonds (distance) P-C4' energy: -36.307
flat angles C4'-P-C4' energy: -41.328
flat angles P-C4'-P energy: -31.483
tors. eta vs tors. theta energy: -53.127
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: 4
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -579.604916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.604916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.604916 (E_RNA)
where:
Base-Base interactions energy: -395.494
where: short stacking energy: -150.957
Base-Backbone interact. energy: -0.875
local terms energy: -183.235545
where:
bonds (distance) C4'-P energy: -40.029
bonds (distance) P-C4' energy: -33.481
flat angles C4'-P-C4' energy: -38.763
flat angles P-C4'-P energy: -23.922
tors. eta vs tors. theta energy: -47.041
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: 5, replica: 2
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -587.251429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.251429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.251429 (E_RNA)
where:
Base-Base interactions energy: -371.815
where: short stacking energy: -179.971
Base-Backbone interact. energy: -0.134
local terms energy: -215.302236
where:
bonds (distance) C4'-P energy: -37.232
bonds (distance) P-C4' energy: -38.800
flat angles C4'-P-C4' energy: -43.861
flat angles P-C4'-P energy: -32.687
tors. eta vs tors. theta energy: -62.722
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: 7
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -526.360362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.360362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.360362 (E_RNA)
where:
Base-Base interactions energy: -332.678
where: short stacking energy: -162.689
Base-Backbone interact. energy: -1.319
local terms energy: -192.363113
where:
bonds (distance) C4'-P energy: -42.379
bonds (distance) P-C4' energy: -34.522
flat angles C4'-P-C4' energy: -34.502
flat angles P-C4'-P energy: -32.415
tors. eta vs tors. theta energy: -48.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -425.084063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.084063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.084063 (E_RNA)
where:
Base-Base interactions energy: -265.457
where: short stacking energy: -116.739
Base-Backbone interact. energy: -1.465
local terms energy: -158.162549
where:
bonds (distance) C4'-P energy: -37.951
bonds (distance) P-C4' energy: -38.316
flat angles C4'-P-C4' energy: -36.868
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -28.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -230.468443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.468443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.468443 (E_RNA)
where:
Base-Base interactions energy: -121.812
where: short stacking energy: -67.878
Base-Backbone interact. energy: -1.226
local terms energy: -107.430239
where:
bonds (distance) C4'-P energy: -29.747
bonds (distance) P-C4' energy: -29.297
flat angles C4'-P-C4' energy: -32.958
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -0.384
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: 6
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -196.517465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.517465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.517465 (E_RNA)
where:
Base-Base interactions energy: -78.013
where: short stacking energy: -51.231
Base-Backbone interact. energy: 5.389
local terms energy: -123.893258
where:
bonds (distance) C4'-P energy: -40.613
bonds (distance) P-C4' energy: -31.064
flat angles C4'-P-C4' energy: -38.333
flat angles P-C4'-P energy: -16.727
tors. eta vs tors. theta energy: 2.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -168.900253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.900253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.900253 (E_RNA)
where:
Base-Base interactions energy: -62.241
where: short stacking energy: -39.156
Base-Backbone interact. energy: 2.653
local terms energy: -109.311921
where:
bonds (distance) C4'-P energy: -33.912
bonds (distance) P-C4' energy: -36.380
flat angles C4'-P-C4' energy: -31.360
flat angles P-C4'-P energy: -22.277
tors. eta vs tors. theta energy: 14.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -678.463734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.463734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.463734 (E_RNA)
where:
Base-Base interactions energy: -459.220
where: short stacking energy: -191.937
Base-Backbone interact. energy: -0.087
local terms energy: -219.156821
where:
bonds (distance) C4'-P energy: -40.791
bonds (distance) P-C4' energy: -39.689
flat angles C4'-P-C4' energy: -41.691
flat angles P-C4'-P energy: -34.151
tors. eta vs tors. theta energy: -62.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -642.960425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.960425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.960425 (E_RNA)
where:
Base-Base interactions energy: -449.570
where: short stacking energy: -201.159
Base-Backbone interact. energy: -1.083
local terms energy: -192.307032
where:
bonds (distance) C4'-P energy: -33.205
bonds (distance) P-C4' energy: -33.981
flat angles C4'-P-C4' energy: -43.876
flat angles P-C4'-P energy: -26.970
tors. eta vs tors. theta energy: -54.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -638.244538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.244538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.244538 (E_RNA)
where:
Base-Base interactions energy: -438.586
where: short stacking energy: -186.424
Base-Backbone interact. energy: -0.750
local terms energy: -198.909121
where:
bonds (distance) C4'-P energy: -38.497
bonds (distance) P-C4' energy: -37.631
flat angles C4'-P-C4' energy: -41.665
flat angles P-C4'-P energy: -24.111
tors. eta vs tors. theta energy: -57.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -585.955782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.955782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.955782 (E_RNA)
where:
Base-Base interactions energy: -381.383
where: short stacking energy: -169.894
Base-Backbone interact. energy: -0.585
local terms energy: -203.987469
where:
bonds (distance) C4'-P energy: -38.441
bonds (distance) P-C4' energy: -39.533
flat angles C4'-P-C4' energy: -39.662
flat angles P-C4'-P energy: -29.332
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: 5, replica: 4
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -551.168469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.168469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.168469 (E_RNA)
where:
Base-Base interactions energy: -364.886
where: short stacking energy: -160.944
Base-Backbone interact. energy: -1.246
local terms energy: -185.036500
where:
bonds (distance) C4'-P energy: -36.077
bonds (distance) P-C4' energy: -37.848
flat angles C4'-P-C4' energy: -40.809
flat angles P-C4'-P energy: -28.937
tors. eta vs tors. theta energy: -41.365
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: 7
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -532.129400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.129400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.129400 (E_RNA)
where:
Base-Base interactions energy: -340.056
where: short stacking energy: -162.102
Base-Backbone interact. energy: -0.142
local terms energy: -191.931308
where:
bonds (distance) C4'-P energy: -36.071
bonds (distance) P-C4' energy: -44.910
flat angles C4'-P-C4' energy: -38.844
flat angles P-C4'-P energy: -26.918
tors. eta vs tors. theta energy: -45.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -442.244384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.244384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.244384 (E_RNA)
where:
Base-Base interactions energy: -295.058
where: short stacking energy: -132.158
Base-Backbone interact. energy: 0.368
local terms energy: -147.553920
where:
bonds (distance) C4'-P energy: -26.004
bonds (distance) P-C4' energy: -39.275
flat angles C4'-P-C4' energy: -33.145
flat angles P-C4'-P energy: -20.696
tors. eta vs tors. theta energy: -28.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -225.929323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.929323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.929323 (E_RNA)
where:
Base-Base interactions energy: -91.729
where: short stacking energy: -44.092
Base-Backbone interact. energy: -0.592
local terms energy: -133.608545
where:
bonds (distance) C4'-P energy: -34.896
bonds (distance) P-C4' energy: -33.034
flat angles C4'-P-C4' energy: -42.511
flat angles P-C4'-P energy: -22.090
tors. eta vs tors. theta energy: -1.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -195.811185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.811185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.811185 (E_RNA)
where:
Base-Base interactions energy: -81.168
where: short stacking energy: -53.476
Base-Backbone interact. energy: -0.448
local terms energy: -114.194689
where:
bonds (distance) C4'-P energy: -34.295
bonds (distance) P-C4' energy: -42.743
flat angles C4'-P-C4' energy: -23.330
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -1.573
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: 8
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -163.194211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.194211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.194211 (E_RNA)
where:
Base-Base interactions energy: -60.094
where: short stacking energy: -40.201
Base-Backbone interact. energy: -1.279
local terms energy: -101.821528
where:
bonds (distance) C4'-P energy: -35.413
bonds (distance) P-C4' energy: -31.685
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -25.166
tors. eta vs tors. theta energy: 3.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -660.377482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.377482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.377482 (E_RNA)
where:
Base-Base interactions energy: -449.471
where: short stacking energy: -198.433
Base-Backbone interact. energy: -0.610
local terms energy: -210.296640
where:
bonds (distance) C4'-P energy: -36.447
bonds (distance) P-C4' energy: -46.885
flat angles C4'-P-C4' energy: -43.839
flat angles P-C4'-P energy: -29.917
tors. eta vs tors. theta energy: -53.209
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: 2, replica: 3
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -682.830035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.830035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.830035 (E_RNA)
where:
Base-Base interactions energy: -476.281
where: short stacking energy: -190.353
Base-Backbone interact. energy: -1.911
local terms energy: -204.637314
where:
bonds (distance) C4'-P energy: -34.607
bonds (distance) P-C4' energy: -39.033
flat angles C4'-P-C4' energy: -40.986
flat angles P-C4'-P energy: -25.140
tors. eta vs tors. theta energy: -64.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -667.279710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.279710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.279710 (E_RNA)
where:
Base-Base interactions energy: -461.738
where: short stacking energy: -199.878
Base-Backbone interact. energy: -0.395
local terms energy: -205.146366
where:
bonds (distance) C4'-P energy: -31.018
bonds (distance) P-C4' energy: -39.619
flat angles C4'-P-C4' energy: -40.235
flat angles P-C4'-P energy: -27.628
tors. eta vs tors. theta energy: -66.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -587.897198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.897198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.897198 (E_RNA)
where:
Base-Base interactions energy: -381.112
where: short stacking energy: -182.685
Base-Backbone interact. energy: -0.536
local terms energy: -206.249062
where:
bonds (distance) C4'-P energy: -31.448
bonds (distance) P-C4' energy: -35.474
flat angles C4'-P-C4' energy: -44.088
flat angles P-C4'-P energy: -31.783
tors. eta vs tors. theta energy: -63.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -559.651514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.651514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.651514 (E_RNA)
where:
Base-Base interactions energy: -382.577
where: short stacking energy: -171.888
Base-Backbone interact. energy: -0.456
local terms energy: -176.619239
where:
bonds (distance) C4'-P energy: -34.628
bonds (distance) P-C4' energy: -28.181
flat angles C4'-P-C4' energy: -40.262
flat angles P-C4'-P energy: -24.791
tors. eta vs tors. theta energy: -48.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -511.736022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.736022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.736022 (E_RNA)
where:
Base-Base interactions energy: -336.367
where: short stacking energy: -159.585
Base-Backbone interact. energy: -0.617
local terms energy: -174.751973
where:
bonds (distance) C4'-P energy: -35.639
bonds (distance) P-C4' energy: -40.593
flat angles C4'-P-C4' energy: -37.245
flat angles P-C4'-P energy: -22.145
tors. eta vs tors. theta energy: -39.130
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: 7, replica: 5
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -436.396765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.396765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.396765 (E_RNA)
where:
Base-Base interactions energy: -275.903
where: short stacking energy: -124.348
Base-Backbone interact. energy: -2.340
local terms energy: -158.153690
where:
bonds (distance) C4'-P energy: -31.746
bonds (distance) P-C4' energy: -37.033
flat angles C4'-P-C4' energy: -43.674
flat angles P-C4'-P energy: -21.817
tors. eta vs tors. theta energy: -23.884
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: 8, replica: 6
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -209.149894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.149894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.149894 (E_RNA)
where:
Base-Base interactions energy: -72.226
where: short stacking energy: -56.391
Base-Backbone interact. energy: -0.552
local terms energy: -136.372073
where:
bonds (distance) C4'-P energy: -32.998
bonds (distance) P-C4' energy: -43.683
flat angles C4'-P-C4' energy: -35.404
flat angles P-C4'-P energy: -21.395
tors. eta vs tors. theta energy: -2.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -172.877474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.877474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.877474 (E_RNA)
where:
Base-Base interactions energy: -61.352
where: short stacking energy: -46.680
Base-Backbone interact. energy: 0.705
local terms energy: -112.230424
where:
bonds (distance) C4'-P energy: -41.154
bonds (distance) P-C4' energy: -34.167
flat angles C4'-P-C4' energy: -24.081
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: 1.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -167.173683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.173683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.173683 (E_RNA)
where:
Base-Base interactions energy: -76.366
where: short stacking energy: -45.351
Base-Backbone interact. energy: -0.405
local terms energy: -90.402924
where:
bonds (distance) C4'-P energy: -25.361
bonds (distance) P-C4' energy: -28.282
flat angles C4'-P-C4' energy: -33.492
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: 13.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -668.517930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.517930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.517930 (E_RNA)
where:
Base-Base interactions energy: -463.402
where: short stacking energy: -195.251
Base-Backbone interact. energy: -1.520
local terms energy: -203.595923
where:
bonds (distance) C4'-P energy: -40.460
bonds (distance) P-C4' energy: -33.981
flat angles C4'-P-C4' energy: -39.215
flat angles P-C4'-P energy: -35.824
tors. eta vs tors. theta energy: -54.116
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: 9
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -665.341783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.341783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.341783 (E_RNA)
where:
Base-Base interactions energy: -452.629
where: short stacking energy: -194.249
Base-Backbone interact. energy: -0.177
local terms energy: -212.535448
where:
bonds (distance) C4'-P energy: -39.690
bonds (distance) P-C4' energy: -40.896
flat angles C4'-P-C4' energy: -41.231
flat angles P-C4'-P energy: -27.276
tors. eta vs tors. theta energy: -63.443
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: 3
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -655.857247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.857247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.857247 (E_RNA)
where:
Base-Base interactions energy: -447.770
where: short stacking energy: -184.323
Base-Backbone interact. energy: -1.938
local terms energy: -206.149203
where:
bonds (distance) C4'-P energy: -40.217
bonds (distance) P-C4' energy: -31.297
flat angles C4'-P-C4' energy: -41.840
flat angles P-C4'-P energy: -29.473
tors. eta vs tors. theta energy: -63.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -582.623308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.623308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.623308 (E_RNA)
where:
Base-Base interactions energy: -388.252
where: short stacking energy: -170.774
Base-Backbone interact. energy: -0.380
local terms energy: -193.991275
where:
bonds (distance) C4'-P energy: -34.241
bonds (distance) P-C4' energy: -36.391
flat angles C4'-P-C4' energy: -43.618
flat angles P-C4'-P energy: -25.493
tors. eta vs tors. theta energy: -54.248
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: 2
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -582.498403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.498403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.498403 (E_RNA)
where:
Base-Base interactions energy: -380.291
where: short stacking energy: -180.468
Base-Backbone interact. energy: -0.339
local terms energy: -201.868266
where:
bonds (distance) C4'-P energy: -37.332
bonds (distance) P-C4' energy: -37.620
flat angles C4'-P-C4' energy: -46.123
flat angles P-C4'-P energy: -22.220
tors. eta vs tors. theta energy: -58.574
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: 7
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -457.923777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.923777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.923777 (E_RNA)
where:
Base-Base interactions energy: -298.550
where: short stacking energy: -143.397
Base-Backbone interact. energy: -0.359
local terms energy: -159.014467
where:
bonds (distance) C4'-P energy: -29.663
bonds (distance) P-C4' energy: -30.022
flat angles C4'-P-C4' energy: -37.740
flat angles P-C4'-P energy: -23.608
tors. eta vs tors. theta energy: -37.981
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: 5
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -483.151493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.151493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.151493 (E_RNA)
where:
Base-Base interactions energy: -322.315
where: short stacking energy: -124.240
Base-Backbone interact. energy: -0.864
local terms energy: -159.972803
where:
bonds (distance) C4'-P energy: -33.442
bonds (distance) P-C4' energy: -40.409
flat angles C4'-P-C4' energy: -39.511
flat angles P-C4'-P energy: -21.193
tors. eta vs tors. theta energy: -25.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -209.091829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.091829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.091829 (E_RNA)
where:
Base-Base interactions energy: -93.827
where: short stacking energy: -50.512
Base-Backbone interact. energy: 0.488
local terms energy: -115.752484
where:
bonds (distance) C4'-P energy: -32.408
bonds (distance) P-C4' energy: -39.150
flat angles C4'-P-C4' energy: -31.914
flat angles P-C4'-P energy: -15.196
tors. eta vs tors. theta energy: 2.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -185.302840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.302840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.302840 (E_RNA)
where:
Base-Base interactions energy: -61.529
where: short stacking energy: -50.319
Base-Backbone interact. energy: -1.642
local terms energy: -122.131533
where:
bonds (distance) C4'-P energy: -33.124
bonds (distance) P-C4' energy: -40.024
flat angles C4'-P-C4' energy: -20.305
flat angles P-C4'-P energy: -26.856
tors. eta vs tors. theta energy: -1.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -181.895373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.895373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.895373 (E_RNA)
where:
Base-Base interactions energy: -64.721
where: short stacking energy: -41.771
Base-Backbone interact. energy: 0.305
local terms energy: -117.479445
where:
bonds (distance) C4'-P energy: -31.272
bonds (distance) P-C4' energy: -32.395
flat angles C4'-P-C4' energy: -35.673
flat angles P-C4'-P energy: -14.533
tors. eta vs tors. theta energy: -3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -684.949673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.949673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.949673 (E_RNA)
where:
Base-Base interactions energy: -463.584
where: short stacking energy: -192.556
Base-Backbone interact. energy: -0.081
local terms energy: -221.284565
where:
bonds (distance) C4'-P energy: -42.514
bonds (distance) P-C4' energy: -36.390
flat angles C4'-P-C4' energy: -47.443
flat angles P-C4'-P energy: -33.382
tors. eta vs tors. theta energy: -61.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -673.338590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.338590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.338590 (E_RNA)
where:
Base-Base interactions energy: -442.859
where: short stacking energy: -198.822
Base-Backbone interact. energy: -0.955
local terms energy: -229.524335
where:
bonds (distance) C4'-P energy: -45.395
bonds (distance) P-C4' energy: -41.208
flat angles C4'-P-C4' energy: -45.614
flat angles P-C4'-P energy: -34.468
tors. eta vs tors. theta energy: -62.839
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: 324
Temperature: 1.000000
Total energy: -668.112009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.112009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.112009 (E_RNA)
where:
Base-Base interactions energy: -448.388
where: short stacking energy: -200.374
Base-Backbone interact. energy: -0.884
local terms energy: -218.840536
where:
bonds (distance) C4'-P energy: -37.649
bonds (distance) P-C4' energy: -43.637
flat angles C4'-P-C4' energy: -42.738
flat angles P-C4'-P energy: -34.612
tors. eta vs tors. theta energy: -60.206
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: 4, replica: 4
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -591.212303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.212303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.212303 (E_RNA)
where:
Base-Base interactions energy: -402.576
where: short stacking energy: -185.788
Base-Backbone interact. energy: -0.075
local terms energy: -188.561214
where:
bonds (distance) C4'-P energy: -38.564
bonds (distance) P-C4' energy: -22.887
flat angles C4'-P-C4' energy: -45.320
flat angles P-C4'-P energy: -23.931
tors. eta vs tors. theta energy: -57.858
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: 2
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -557.556345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.556345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.556345 (E_RNA)
where:
Base-Base interactions energy: -356.673
where: short stacking energy: -175.864
Base-Backbone interact. energy: 4.627
local terms energy: -205.510963
where:
bonds (distance) C4'-P energy: -40.857
bonds (distance) P-C4' energy: -39.806
flat angles C4'-P-C4' energy: -46.568
flat angles P-C4'-P energy: -28.376
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: 6, replica: 7
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -503.577610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.577610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.577610 (E_RNA)
where:
Base-Base interactions energy: -323.291
where: short stacking energy: -138.949
Base-Backbone interact. energy: -0.674
local terms energy: -179.612266
where:
bonds (distance) C4'-P energy: -35.856
bonds (distance) P-C4' energy: -33.365
flat angles C4'-P-C4' energy: -33.856
flat angles P-C4'-P energy: -30.219
tors. eta vs tors. theta energy: -46.316
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: 5
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -437.839703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.839703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.839703 (E_RNA)
where:
Base-Base interactions energy: -275.074
where: short stacking energy: -126.324
Base-Backbone interact. energy: 0.492
local terms energy: -163.257487
where:
bonds (distance) C4'-P energy: -35.073
bonds (distance) P-C4' energy: -30.907
flat angles C4'-P-C4' energy: -36.179
flat angles P-C4'-P energy: -28.878
tors. eta vs tors. theta energy: -32.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -214.423099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.423099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.423099 (E_RNA)
where:
Base-Base interactions energy: -93.707
where: short stacking energy: -52.059
Base-Backbone interact. energy: 4.241
local terms energy: -124.956646
where:
bonds (distance) C4'-P energy: -34.130
bonds (distance) P-C4' energy: -36.684
flat angles C4'-P-C4' energy: -29.296
flat angles P-C4'-P energy: -21.422
tors. eta vs tors. theta energy: -3.424
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: 324
Temperature: 1.300000
Total energy: -186.451741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.451741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.451741 (E_RNA)
where:
Base-Base interactions energy: -56.529
where: short stacking energy: -47.255
Base-Backbone interact. energy: -1.817
local terms energy: -128.106530
where:
bonds (distance) C4'-P energy: -31.756
bonds (distance) P-C4' energy: -41.642
flat angles C4'-P-C4' energy: -30.232
flat angles P-C4'-P energy: -24.238
tors. eta vs tors. theta energy: -0.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -170.711871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.711871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.711871 (E_RNA)
where:
Base-Base interactions energy: -59.313
where: short stacking energy: -53.547
Base-Backbone interact. energy: -0.951
local terms energy: -110.448363
where:
bonds (distance) C4'-P energy: -34.721
bonds (distance) P-C4' energy: -28.071
flat angles C4'-P-C4' energy: -36.079
flat angles P-C4'-P energy: -19.093
tors. eta vs tors. theta energy: 7.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -664.886629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.886629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.886629 (E_RNA)
where:
Base-Base interactions energy: -457.344
where: short stacking energy: -186.037
Base-Backbone interact. energy: 0.054
local terms energy: -207.596143
where:
bonds (distance) C4'-P energy: -37.884
bonds (distance) P-C4' energy: -41.887
flat angles C4'-P-C4' energy: -41.026
flat angles P-C4'-P energy: -27.399
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: 2, replica: 1
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -673.516866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.516866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.516866 (E_RNA)
where:
Base-Base interactions energy: -455.482
where: short stacking energy: -212.866
Base-Backbone interact. energy: 0.450
local terms energy: -218.484604
where:
bonds (distance) C4'-P energy: -39.689
bonds (distance) P-C4' energy: -38.686
flat angles C4'-P-C4' energy: -47.751
flat angles P-C4'-P energy: -30.650
tors. eta vs tors. theta energy: -61.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -659.782731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.782731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.782731 (E_RNA)
where:
Base-Base interactions energy: -463.485
where: short stacking energy: -186.601
Base-Backbone interact. energy: -0.323
local terms energy: -195.974789
where:
bonds (distance) C4'-P energy: -36.293
bonds (distance) P-C4' energy: -37.576
flat angles C4'-P-C4' energy: -34.961
flat angles P-C4'-P energy: -27.757
tors. eta vs tors. theta energy: -59.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -586.686876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.686876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.686876 (E_RNA)
where:
Base-Base interactions energy: -394.077
where: short stacking energy: -164.981
Base-Backbone interact. energy: -0.482
local terms energy: -192.128762
where:
bonds (distance) C4'-P energy: -34.687
bonds (distance) P-C4' energy: -42.957
flat angles C4'-P-C4' energy: -42.317
flat angles P-C4'-P energy: -21.259
tors. eta vs tors. theta energy: -50.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -561.327199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.327199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.327199 (E_RNA)
where:
Base-Base interactions energy: -363.960
where: short stacking energy: -173.113
Base-Backbone interact. energy: -1.176
local terms energy: -196.191332
where:
bonds (distance) C4'-P energy: -34.871
bonds (distance) P-C4' energy: -40.735
flat angles C4'-P-C4' energy: -40.559
flat angles P-C4'-P energy: -26.534
tors. eta vs tors. theta energy: -53.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -529.065287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.065287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.065287 (E_RNA)
where:
Base-Base interactions energy: -363.781
where: short stacking energy: -181.681
Base-Backbone interact. energy: -1.400
local terms energy: -163.884397
where:
bonds (distance) C4'-P energy: -19.906
bonds (distance) P-C4' energy: -26.848
flat angles C4'-P-C4' energy: -41.409
flat angles P-C4'-P energy: -22.180
tors. eta vs tors. theta energy: -53.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -472.784722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.784722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.784722 (E_RNA)
where:
Base-Base interactions energy: -309.175
where: short stacking energy: -122.201
Base-Backbone interact. energy: -0.506
local terms energy: -163.104072
where:
bonds (distance) C4'-P energy: -31.901
bonds (distance) P-C4' energy: -31.523
flat angles C4'-P-C4' energy: -37.431
flat angles P-C4'-P energy: -30.672
tors. eta vs tors. theta energy: -31.576
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: 8
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -226.690106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.690106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.690106 (E_RNA)
where:
Base-Base interactions energy: -108.870
where: short stacking energy: -48.646
Base-Backbone interact. energy: 0.697
local terms energy: -118.517447
where:
bonds (distance) C4'-P energy: -35.864
bonds (distance) P-C4' energy: -38.700
flat angles C4'-P-C4' energy: -37.282
flat angles P-C4'-P energy: -14.456
tors. eta vs tors. theta energy: 7.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -182.765048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.765048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.765048 (E_RNA)
where:
Base-Base interactions energy: -81.761
where: short stacking energy: -42.381
Base-Backbone interact. energy: -1.334
local terms energy: -99.670501
where:
bonds (distance) C4'-P energy: -30.052
bonds (distance) P-C4' energy: -36.764
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -24.322
tors. eta vs tors. theta energy: 9.094
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: 325
Temperature: 1.350000
Total energy: -164.408460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.408460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.408460 (E_RNA)
where:
Base-Base interactions energy: -54.361
where: short stacking energy: -43.801
Base-Backbone interact. energy: -0.256
local terms energy: -109.791564
where:
bonds (distance) C4'-P energy: -28.570
bonds (distance) P-C4' energy: -37.845
flat angles C4'-P-C4' energy: -23.195
flat angles P-C4'-P energy: -24.724
tors. eta vs tors. theta energy: 4.543
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: 9
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -674.763136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.763136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.763136 (E_RNA)
where:
Base-Base interactions energy: -468.625
where: short stacking energy: -195.305
Base-Backbone interact. energy: 0.790
local terms energy: -206.928501
where:
bonds (distance) C4'-P energy: -32.624
bonds (distance) P-C4' energy: -39.885
flat angles C4'-P-C4' energy: -46.484
flat angles P-C4'-P energy: -28.012
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: 326
Temperature: 0.950000
Total energy: -659.194702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.194702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.194702 (E_RNA)
where:
Base-Base interactions energy: -466.375
where: short stacking energy: -199.886
Base-Backbone interact. energy: 0.969
local terms energy: -193.788897
where:
bonds (distance) C4'-P energy: -39.803
bonds (distance) P-C4' energy: -36.976
flat angles C4'-P-C4' energy: -34.119
flat angles P-C4'-P energy: -22.393
tors. eta vs tors. theta energy: -60.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -664.461300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.461300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.461300 (E_RNA)
where:
Base-Base interactions energy: -456.603
where: short stacking energy: -178.622
Base-Backbone interact. energy: -0.598
local terms energy: -207.259843
where:
bonds (distance) C4'-P energy: -32.505
bonds (distance) P-C4' energy: -40.462
flat angles C4'-P-C4' energy: -43.654
flat angles P-C4'-P energy: -29.813
tors. eta vs tors. theta energy: -60.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -591.245161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.245161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.245161 (E_RNA)
where:
Base-Base interactions energy: -401.872
where: short stacking energy: -180.658
Base-Backbone interact. energy: -0.379
local terms energy: -188.993949
where:
bonds (distance) C4'-P energy: -29.136
bonds (distance) P-C4' energy: -38.826
flat angles C4'-P-C4' energy: -41.644
flat angles P-C4'-P energy: -20.756
tors. eta vs tors. theta energy: -58.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -554.212398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.212398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.212398 (E_RNA)
where:
Base-Base interactions energy: -368.809
where: short stacking energy: -166.965
Base-Backbone interact. energy: -0.487
local terms energy: -184.916421
where:
bonds (distance) C4'-P energy: -40.329
bonds (distance) P-C4' energy: -38.178
flat angles C4'-P-C4' energy: -37.708
flat angles P-C4'-P energy: -16.879
tors. eta vs tors. theta energy: -51.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -559.069657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.069657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.069657 (E_RNA)
where:
Base-Base interactions energy: -372.591
where: short stacking energy: -163.766
Base-Backbone interact. energy: -0.683
local terms energy: -185.795703
where:
bonds (distance) C4'-P energy: -35.288
bonds (distance) P-C4' energy: -28.180
flat angles C4'-P-C4' energy: -36.521
flat angles P-C4'-P energy: -31.748
tors. eta vs tors. theta energy: -54.058
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: 5
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -475.119181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.119181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.119181 (E_RNA)
where:
Base-Base interactions energy: -312.500
where: short stacking energy: -136.024
Base-Backbone interact. energy: 1.127
local terms energy: -163.746539
where:
bonds (distance) C4'-P energy: -32.491
bonds (distance) P-C4' energy: -39.623
flat angles C4'-P-C4' energy: -36.950
flat angles P-C4'-P energy: -24.742
tors. eta vs tors. theta energy: -29.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -192.280964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.280964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.280964 (E_RNA)
where:
Base-Base interactions energy: -75.520
where: short stacking energy: -32.328
Base-Backbone interact. energy: -1.078
local terms energy: -115.682507
where:
bonds (distance) C4'-P energy: -34.869
bonds (distance) P-C4' energy: -37.317
flat angles C4'-P-C4' energy: -35.919
flat angles P-C4'-P energy: -21.926
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: 9, replica: 6
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -197.878105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.878105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.878105 (E_RNA)
where:
Base-Base interactions energy: -71.930
where: short stacking energy: -59.759
Base-Backbone interact. energy: 0.039
local terms energy: -125.987556
where:
bonds (distance) C4'-P energy: -41.322
bonds (distance) P-C4' energy: -32.140
flat angles C4'-P-C4' energy: -28.997
flat angles P-C4'-P energy: -15.821
tors. eta vs tors. theta energy: -7.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -167.263821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.263821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.263821 (E_RNA)
where:
Base-Base interactions energy: -52.702
where: short stacking energy: -53.347
Base-Backbone interact. energy: 1.059
local terms energy: -115.620373
where:
bonds (distance) C4'-P energy: -19.756
bonds (distance) P-C4' energy: -35.645
flat angles C4'-P-C4' energy: -34.550
flat angles P-C4'-P energy: -24.547
tors. eta vs tors. theta energy: -1.124
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: 9
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -680.736942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.736942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.736942 (E_RNA)
where:
Base-Base interactions energy: -454.074
where: short stacking energy: -191.562
Base-Backbone interact. energy: -1.185
local terms energy: -225.477945
where:
bonds (distance) C4'-P energy: -33.260
bonds (distance) P-C4' energy: -46.982
flat angles C4'-P-C4' energy: -45.919
flat angles P-C4'-P energy: -36.746
tors. eta vs tors. theta energy: -62.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -664.968046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.968046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.968046 (E_RNA)
where:
Base-Base interactions energy: -457.888
where: short stacking energy: -179.758
Base-Backbone interact. energy: -0.536
local terms energy: -206.543842
where:
bonds (distance) C4'-P energy: -31.393
bonds (distance) P-C4' energy: -45.957
flat angles C4'-P-C4' energy: -44.338
flat angles P-C4'-P energy: -24.902
tors. eta vs tors. theta energy: -59.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -655.209735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.209735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.209735 (E_RNA)
where:
Base-Base interactions energy: -445.606
where: short stacking energy: -204.011
Base-Backbone interact. energy: -0.331
local terms energy: -209.272463
where:
bonds (distance) C4'-P energy: -34.172
bonds (distance) P-C4' energy: -44.078
flat angles C4'-P-C4' energy: -36.120
flat angles P-C4'-P energy: -35.291
tors. eta vs tors. theta energy: -59.611
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: 7
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -570.876334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.876334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.876334 (E_RNA)
where:
Base-Base interactions energy: -383.159
where: short stacking energy: -175.462
Base-Backbone interact. energy: -0.118
local terms energy: -187.599788
where:
bonds (distance) C4'-P energy: -27.290
bonds (distance) P-C4' energy: -40.067
flat angles C4'-P-C4' energy: -37.540
flat angles P-C4'-P energy: -33.853
tors. eta vs tors. theta energy: -48.850
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: 4
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -592.697271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.697271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.697271 (E_RNA)
where:
Base-Base interactions energy: -395.250
where: short stacking energy: -169.634
Base-Backbone interact. energy: 0.000
local terms energy: -197.447456
where:
bonds (distance) C4'-P energy: -40.718
bonds (distance) P-C4' energy: -34.529
flat angles C4'-P-C4' energy: -42.040
flat angles P-C4'-P energy: -23.482
tors. eta vs tors. theta energy: -56.678
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: 6, replica: 2
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -541.735157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.735157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.735157 (E_RNA)
where:
Base-Base interactions energy: -362.280
where: short stacking energy: -166.884
Base-Backbone interact. energy: -0.978
local terms energy: -178.477321
where:
bonds (distance) C4'-P energy: -29.891
bonds (distance) P-C4' energy: -30.759
flat angles C4'-P-C4' energy: -40.498
flat angles P-C4'-P energy: -31.155
tors. eta vs tors. theta energy: -46.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -446.115382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.115382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.115382 (E_RNA)
where:
Base-Base interactions energy: -294.249
where: short stacking energy: -123.223
Base-Backbone interact. energy: -0.092
local terms energy: -151.773963
where:
bonds (distance) C4'-P energy: -33.009
bonds (distance) P-C4' energy: -34.638
flat angles C4'-P-C4' energy: -34.782
flat angles P-C4'-P energy: -27.612
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: 8
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -191.783278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.783278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.783278 (E_RNA)
where:
Base-Base interactions energy: -62.371
where: short stacking energy: -59.078
Base-Backbone interact. energy: -1.051
local terms energy: -128.361096
where:
bonds (distance) C4'-P energy: -35.136
bonds (distance) P-C4' energy: -32.081
flat angles C4'-P-C4' energy: -36.862
flat angles P-C4'-P energy: -17.474
tors. eta vs tors. theta energy: -6.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -191.039294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.039294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.039294 (E_RNA)
where:
Base-Base interactions energy: -58.665
where: short stacking energy: -49.501
Base-Backbone interact. energy: 0.873
local terms energy: -133.246979
where:
bonds (distance) C4'-P energy: -33.714
bonds (distance) P-C4' energy: -43.160
flat angles C4'-P-C4' energy: -32.314
flat angles P-C4'-P energy: -19.337
tors. eta vs tors. theta energy: -4.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -162.394241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.394241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.394241 (E_RNA)
where:
Base-Base interactions energy: -58.190
where: short stacking energy: -53.496
Base-Backbone interact. energy: -0.107
local terms energy: -104.097697
where:
bonds (distance) C4'-P energy: -26.138
bonds (distance) P-C4' energy: -30.897
flat angles C4'-P-C4' energy: -36.802
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: 1.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -681.657136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.657136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.657136 (E_RNA)
where:
Base-Base interactions energy: -467.045
where: short stacking energy: -201.433
Base-Backbone interact. energy: 0.262
local terms energy: -214.874407
where:
bonds (distance) C4'-P energy: -31.661
bonds (distance) P-C4' energy: -37.942
flat angles C4'-P-C4' energy: -48.076
flat angles P-C4'-P energy: -33.185
tors. eta vs tors. theta energy: -64.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -690.928721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.928721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.928721 (E_RNA)
where:
Base-Base interactions energy: -476.998
where: short stacking energy: -199.572
Base-Backbone interact. energy: -1.524
local terms energy: -212.406046
where:
bonds (distance) C4'-P energy: -34.815
bonds (distance) P-C4' energy: -38.618
flat angles C4'-P-C4' energy: -43.790
flat angles P-C4'-P energy: -34.242
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: 1
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -640.283252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.283252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.283252 (E_RNA)
where:
Base-Base interactions energy: -438.135
where: short stacking energy: -186.386
Base-Backbone interact. energy: 2.031
local terms energy: -204.179760
where:
bonds (distance) C4'-P energy: -34.987
bonds (distance) P-C4' energy: -42.009
flat angles C4'-P-C4' energy: -44.506
flat angles P-C4'-P energy: -26.524
tors. eta vs tors. theta energy: -56.153
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: 4, replica: 7
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -583.569658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.569658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.569658 (E_RNA)
where:
Base-Base interactions energy: -389.925
where: short stacking energy: -182.005
Base-Backbone interact. energy: -0.012
local terms energy: -193.632832
where:
bonds (distance) C4'-P energy: -31.666
bonds (distance) P-C4' energy: -40.828
flat angles C4'-P-C4' energy: -43.133
flat angles P-C4'-P energy: -24.420
tors. eta vs tors. theta energy: -53.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -541.322752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.322752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.322752 (E_RNA)
where:
Base-Base interactions energy: -348.140
where: short stacking energy: -171.466
Base-Backbone interact. energy: -0.638
local terms energy: -192.544504
where:
bonds (distance) C4'-P energy: -35.827
bonds (distance) P-C4' energy: -43.418
flat angles C4'-P-C4' energy: -35.011
flat angles P-C4'-P energy: -24.564
tors. eta vs tors. theta energy: -53.723
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: 4
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -568.507415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.507415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.507415 (E_RNA)
where:
Base-Base interactions energy: -384.106
where: short stacking energy: -167.679
Base-Backbone interact. energy: -0.321
local terms energy: -184.080854
where:
bonds (distance) C4'-P energy: -29.273
bonds (distance) P-C4' energy: -37.010
flat angles C4'-P-C4' energy: -36.524
flat angles P-C4'-P energy: -28.895
tors. eta vs tors. theta energy: -52.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -497.649528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.649528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.649528 (E_RNA)
where:
Base-Base interactions energy: -334.328
where: short stacking energy: -156.665
Base-Backbone interact. energy: -0.321
local terms energy: -163.000185
where:
bonds (distance) C4'-P energy: -35.990
bonds (distance) P-C4' energy: -31.768
flat angles C4'-P-C4' energy: -35.812
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -47.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -205.802372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.802372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.802372 (E_RNA)
where:
Base-Base interactions energy: -74.621
where: short stacking energy: -74.621
Base-Backbone interact. energy: -0.609
local terms energy: -130.572362
where:
bonds (distance) C4'-P energy: -34.996
bonds (distance) P-C4' energy: -30.204
flat angles C4'-P-C4' energy: -33.510
flat angles P-C4'-P energy: -24.342
tors. eta vs tors. theta energy: -7.521
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: 328
Temperature: 1.300000
Total energy: -194.371679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.371679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.371679 (E_RNA)
where:
Base-Base interactions energy: -72.795
where: short stacking energy: -57.900
Base-Backbone interact. energy: 0.064
local terms energy: -121.641113
where:
bonds (distance) C4'-P energy: -35.708
bonds (distance) P-C4' energy: -39.082
flat angles C4'-P-C4' energy: -30.086
flat angles P-C4'-P energy: -15.228
tors. eta vs tors. theta energy: -1.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -164.989470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.989470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.989470 (E_RNA)
where:
Base-Base interactions energy: -58.116
where: short stacking energy: -45.285
Base-Backbone interact. energy: -1.054
local terms energy: -105.818941
where:
bonds (distance) C4'-P energy: -36.516
bonds (distance) P-C4' energy: -37.592
flat angles C4'-P-C4' energy: -22.148
flat angles P-C4'-P energy: -16.574
tors. eta vs tors. theta energy: 7.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -674.641002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.641002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.641002 (E_RNA)
where:
Base-Base interactions energy: -465.431
where: short stacking energy: -198.060
Base-Backbone interact. energy: -0.848
local terms energy: -208.361244
where:
bonds (distance) C4'-P energy: -33.585
bonds (distance) P-C4' energy: -35.114
flat angles C4'-P-C4' energy: -45.108
flat angles P-C4'-P energy: -32.724
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: 2, replica: 3
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -664.007121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.007121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.007121 (E_RNA)
where:
Base-Base interactions energy: -443.059
where: short stacking energy: -193.022
Base-Backbone interact. energy: -0.151
local terms energy: -220.797679
where:
bonds (distance) C4'-P energy: -42.687
bonds (distance) P-C4' energy: -42.445
flat angles C4'-P-C4' energy: -45.057
flat angles P-C4'-P energy: -28.995
tors. eta vs tors. theta energy: -61.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -637.489815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.489815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.489815 (E_RNA)
where:
Base-Base interactions energy: -446.744
where: short stacking energy: -191.608
Base-Backbone interact. energy: -0.806
local terms energy: -189.939506
where:
bonds (distance) C4'-P energy: -40.548
bonds (distance) P-C4' energy: -32.708
flat angles C4'-P-C4' energy: -37.450
flat angles P-C4'-P energy: -23.495
tors. eta vs tors. theta energy: -55.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -571.945840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.945840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.945840 (E_RNA)
where:
Base-Base interactions energy: -383.551
where: short stacking energy: -184.445
Base-Backbone interact. energy: -0.379
local terms energy: -188.015418
where:
bonds (distance) C4'-P energy: -40.436
bonds (distance) P-C4' energy: -34.703
flat angles C4'-P-C4' energy: -37.372
flat angles P-C4'-P energy: -19.632
tors. eta vs tors. theta energy: -55.873
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: 5, replica: 2
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -548.093615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.093615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.093615 (E_RNA)
where:
Base-Base interactions energy: -342.554
where: short stacking energy: -162.585
Base-Backbone interact. energy: -0.150
local terms energy: -205.389954
where:
bonds (distance) C4'-P energy: -34.685
bonds (distance) P-C4' energy: -36.911
flat angles C4'-P-C4' energy: -43.341
flat angles P-C4'-P energy: -30.564
tors. eta vs tors. theta energy: -59.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -558.499685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.499685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.499685 (E_RNA)
where:
Base-Base interactions energy: -371.764
where: short stacking energy: -167.986
Base-Backbone interact. energy: 0.218
local terms energy: -186.954592
where:
bonds (distance) C4'-P energy: -38.881
bonds (distance) P-C4' energy: -31.910
flat angles C4'-P-C4' energy: -37.080
flat angles P-C4'-P energy: -29.364
tors. eta vs tors. theta energy: -49.719
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: 5
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -472.138518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.138518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.138518 (E_RNA)
where:
Base-Base interactions energy: -316.587
where: short stacking energy: -123.207
Base-Backbone interact. energy: -0.455
local terms energy: -155.096755
where:
bonds (distance) C4'-P energy: -33.564
bonds (distance) P-C4' energy: -34.102
flat angles C4'-P-C4' energy: -33.132
flat angles P-C4'-P energy: -23.933
tors. eta vs tors. theta energy: -30.366
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: 8
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -244.392443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.392443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.392443 (E_RNA)
where:
Base-Base interactions energy: -103.117
where: short stacking energy: -70.301
Base-Backbone interact. energy: 0.969
local terms energy: -142.244215
where:
bonds (distance) C4'-P energy: -32.166
bonds (distance) P-C4' energy: -38.463
flat angles C4'-P-C4' energy: -33.069
flat angles P-C4'-P energy: -23.496
tors. eta vs tors. theta energy: -15.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -193.429385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.429385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.429385 (E_RNA)
where:
Base-Base interactions energy: -76.079
where: short stacking energy: -68.300
Base-Backbone interact. energy: -1.224
local terms energy: -116.126386
where:
bonds (distance) C4'-P energy: -24.686
bonds (distance) P-C4' energy: -33.660
flat angles C4'-P-C4' energy: -30.253
flat angles P-C4'-P energy: -19.440
tors. eta vs tors. theta energy: -8.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -167.881726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.881726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.881726 (E_RNA)
where:
Base-Base interactions energy: -52.208
where: short stacking energy: -42.873
Base-Backbone interact. energy: 0.135
local terms energy: -115.809211
where:
bonds (distance) C4'-P energy: -27.240
bonds (distance) P-C4' energy: -32.075
flat angles C4'-P-C4' energy: -27.153
flat angles P-C4'-P energy: -23.483
tors. eta vs tors. theta energy: -5.858
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: 3
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -686.388200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.388200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.388200 (E_RNA)
where:
Base-Base interactions energy: -458.191
where: short stacking energy: -194.844
Base-Backbone interact. energy: -0.412
local terms energy: -227.785522
where:
bonds (distance) C4'-P energy: -40.741
bonds (distance) P-C4' energy: -48.326
flat angles C4'-P-C4' energy: -46.498
flat angles P-C4'-P energy: -29.217
tors. eta vs tors. theta energy: -63.003
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: 9
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -672.059212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.059212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.059212 (E_RNA)
where:
Base-Base interactions energy: -459.441
where: short stacking energy: -190.391
Base-Backbone interact. energy: -0.429
local terms energy: -212.189952
where:
bonds (distance) C4'-P energy: -36.935
bonds (distance) P-C4' energy: -41.384
flat angles C4'-P-C4' energy: -40.925
flat angles P-C4'-P energy: -31.387
tors. eta vs tors. theta energy: -61.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -629.404220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.404220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.404220 (E_RNA)
where:
Base-Base interactions energy: -428.953
where: short stacking energy: -186.680
Base-Backbone interact. energy: 0.497
local terms energy: -200.947892
where:
bonds (distance) C4'-P energy: -41.893
bonds (distance) P-C4' energy: -38.175
flat angles C4'-P-C4' energy: -35.362
flat angles P-C4'-P energy: -28.533
tors. eta vs tors. theta energy: -56.985
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: 4, replica: 7
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -585.639642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.639642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.639642 (E_RNA)
where:
Base-Base interactions energy: -390.063
where: short stacking energy: -184.737
Base-Backbone interact. energy: -0.881
local terms energy: -194.696095
where:
bonds (distance) C4'-P energy: -33.060
bonds (distance) P-C4' energy: -45.716
flat angles C4'-P-C4' energy: -36.073
flat angles P-C4'-P energy: -24.537
tors. eta vs tors. theta energy: -55.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -579.212214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.212214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.212214 (E_RNA)
where:
Base-Base interactions energy: -387.044
where: short stacking energy: -179.287
Base-Backbone interact. energy: -1.911
local terms energy: -190.257571
where:
bonds (distance) C4'-P energy: -42.768
bonds (distance) P-C4' energy: -31.024
flat angles C4'-P-C4' energy: -37.746
flat angles P-C4'-P energy: -26.068
tors. eta vs tors. theta energy: -52.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -539.083484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.083484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.083484 (E_RNA)
where:
Base-Base interactions energy: -344.679
where: short stacking energy: -158.251
Base-Backbone interact. energy: -0.085
local terms energy: -194.319349
where:
bonds (distance) C4'-P energy: -34.083
bonds (distance) P-C4' energy: -31.614
flat angles C4'-P-C4' energy: -43.082
flat angles P-C4'-P energy: -34.013
tors. eta vs tors. theta energy: -51.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -442.792863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.792863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.792863 (E_RNA)
where:
Base-Base interactions energy: -302.673
where: short stacking energy: -126.545
Base-Backbone interact. energy: 0.853
local terms energy: -140.972158
where:
bonds (distance) C4'-P energy: -23.295
bonds (distance) P-C4' energy: -33.280
flat angles C4'-P-C4' energy: -32.459
flat angles P-C4'-P energy: -20.163
tors. eta vs tors. theta energy: -31.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -209.107939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.107939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.107939 (E_RNA)
where:
Base-Base interactions energy: -98.046
where: short stacking energy: -55.083
Base-Backbone interact. energy: 2.500
local terms energy: -113.561839
where:
bonds (distance) C4'-P energy: -39.056
bonds (distance) P-C4' energy: -36.705
flat angles C4'-P-C4' energy: -26.146
flat angles P-C4'-P energy: -22.366
tors. eta vs tors. theta energy: 10.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -236.900746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.900746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.900746 (E_RNA)
where:
Base-Base interactions energy: -113.718
where: short stacking energy: -55.338
Base-Backbone interact. energy: 0.313
local terms energy: -123.496029
where:
bonds (distance) C4'-P energy: -35.490
bonds (distance) P-C4' energy: -34.060
flat angles C4'-P-C4' energy: -33.393
flat angles P-C4'-P energy: -19.500
tors. eta vs tors. theta energy: -1.053
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: 10
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -166.034826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.034826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.034826 (E_RNA)
where:
Base-Base interactions energy: -63.646
where: short stacking energy: -53.476
Base-Backbone interact. energy: -0.627
local terms energy: -101.762400
where:
bonds (distance) C4'-P energy: -30.489
bonds (distance) P-C4' energy: -33.735
flat angles C4'-P-C4' energy: -28.087
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -1.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -677.791724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.791724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.791724 (E_RNA)
where:
Base-Base interactions energy: -459.690
where: short stacking energy: -184.068
Base-Backbone interact. energy: -0.164
local terms energy: -217.937936
where:
bonds (distance) C4'-P energy: -42.926
bonds (distance) P-C4' energy: -38.677
flat angles C4'-P-C4' energy: -48.228
flat angles P-C4'-P energy: -27.606
tors. eta vs tors. theta energy: -60.501
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: 9
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -668.559025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.559025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.559025 (E_RNA)
where:
Base-Base interactions energy: -461.021
where: short stacking energy: -186.668
Base-Backbone interact. energy: 1.338
local terms energy: -208.875838
where:
bonds (distance) C4'-P energy: -30.515
bonds (distance) P-C4' energy: -44.927
flat angles C4'-P-C4' energy: -39.636
flat angles P-C4'-P energy: -34.822
tors. eta vs tors. theta energy: -58.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -655.735735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.735735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.735735 (E_RNA)
where:
Base-Base interactions energy: -465.604
where: short stacking energy: -212.852
Base-Backbone interact. energy: 1.009
local terms energy: -191.140715
where:
bonds (distance) C4'-P energy: -26.888
bonds (distance) P-C4' energy: -34.696
flat angles C4'-P-C4' energy: -40.370
flat angles P-C4'-P energy: -26.299
tors. eta vs tors. theta energy: -62.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -586.299153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.299153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.299153 (E_RNA)
where:
Base-Base interactions energy: -378.570
where: short stacking energy: -185.346
Base-Backbone interact. energy: -1.298
local terms energy: -206.431410
where:
bonds (distance) C4'-P energy: -30.796
bonds (distance) P-C4' energy: -39.498
flat angles C4'-P-C4' energy: -44.568
flat angles P-C4'-P energy: -32.463
tors. eta vs tors. theta energy: -59.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -583.243144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.243144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.243144 (E_RNA)
where:
Base-Base interactions energy: -401.407
where: short stacking energy: -166.067
Base-Backbone interact. energy: 0.260
local terms energy: -182.095719
where:
bonds (distance) C4'-P energy: -36.669
bonds (distance) P-C4' energy: -32.285
flat angles C4'-P-C4' energy: -39.857
flat angles P-C4'-P energy: -29.714
tors. eta vs tors. theta energy: -43.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -561.948926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.948926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.948926 (E_RNA)
where:
Base-Base interactions energy: -376.433
where: short stacking energy: -169.252
Base-Backbone interact. energy: -0.891
local terms energy: -184.625149
where:
bonds (distance) C4'-P energy: -30.610
bonds (distance) P-C4' energy: -34.609
flat angles C4'-P-C4' energy: -42.331
flat angles P-C4'-P energy: -27.020
tors. eta vs tors. theta energy: -50.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -455.609187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.609187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.609187 (E_RNA)
where:
Base-Base interactions energy: -297.239
where: short stacking energy: -134.865
Base-Backbone interact. energy: -0.405
local terms energy: -157.965190
where:
bonds (distance) C4'-P energy: -31.730
bonds (distance) P-C4' energy: -34.562
flat angles C4'-P-C4' energy: -39.599
flat angles P-C4'-P energy: -14.891
tors. eta vs tors. theta energy: -37.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -237.416285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.416285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.416285 (E_RNA)
where:
Base-Base interactions energy: -107.741
where: short stacking energy: -55.663
Base-Backbone interact. energy: -1.833
local terms energy: -127.842890
where:
bonds (distance) C4'-P energy: -35.776
bonds (distance) P-C4' energy: -27.884
flat angles C4'-P-C4' energy: -34.619
flat angles P-C4'-P energy: -21.361
tors. eta vs tors. theta energy: -8.203
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: 331
Temperature: 1.300000
Total energy: -179.945332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.945332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.945332 (E_RNA)
where:
Base-Base interactions energy: -62.979
where: short stacking energy: -52.463
Base-Backbone interact. energy: -0.691
local terms energy: -116.275286
where:
bonds (distance) C4'-P energy: -28.877
bonds (distance) P-C4' energy: -41.686
flat angles C4'-P-C4' energy: -36.783
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -1.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -159.694674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.694674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.694674 (E_RNA)
where:
Base-Base interactions energy: -53.541
where: short stacking energy: -36.703
Base-Backbone interact. energy: -0.880
local terms energy: -105.273709
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -27.871
flat angles C4'-P-C4' energy: -28.414
flat angles P-C4'-P energy: -16.445
tors. eta vs tors. theta energy: 6.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -680.289278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.289278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.289278 (E_RNA)
where:
Base-Base interactions energy: -462.072
where: short stacking energy: -198.066
Base-Backbone interact. energy: -0.054
local terms energy: -218.163219
where:
bonds (distance) C4'-P energy: -36.473
bonds (distance) P-C4' energy: -41.386
flat angles C4'-P-C4' energy: -44.543
flat angles P-C4'-P energy: -29.538
tors. eta vs tors. theta energy: -66.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -669.021542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.021542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.021542 (E_RNA)
where:
Base-Base interactions energy: -460.016
where: short stacking energy: -185.965
Base-Backbone interact. energy: 0.293
local terms energy: -209.298041
where:
bonds (distance) C4'-P energy: -40.492
bonds (distance) P-C4' energy: -36.382
flat angles C4'-P-C4' energy: -43.065
flat angles P-C4'-P energy: -26.587
tors. eta vs tors. theta energy: -62.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -663.709286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.709286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.709286 (E_RNA)
where:
Base-Base interactions energy: -454.249
where: short stacking energy: -180.352
Base-Backbone interact. energy: 0.535
local terms energy: -209.994446
where:
bonds (distance) C4'-P energy: -42.190
bonds (distance) P-C4' energy: -38.161
flat angles C4'-P-C4' energy: -44.900
flat angles P-C4'-P energy: -30.338
tors. eta vs tors. theta energy: -54.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -581.789379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.789379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.789379 (E_RNA)
where:
Base-Base interactions energy: -390.692
where: short stacking energy: -166.742
Base-Backbone interact. energy: -1.254
local terms energy: -189.843108
where:
bonds (distance) C4'-P energy: -33.748
bonds (distance) P-C4' energy: -36.413
flat angles C4'-P-C4' energy: -42.603
flat angles P-C4'-P energy: -25.786
tors. eta vs tors. theta energy: -51.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -585.598537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.598537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.598537 (E_RNA)
where:
Base-Base interactions energy: -385.601
where: short stacking energy: -161.733
Base-Backbone interact. energy: -0.691
local terms energy: -199.307413
where:
bonds (distance) C4'-P energy: -34.160
bonds (distance) P-C4' energy: -40.643
flat angles C4'-P-C4' energy: -42.875
flat angles P-C4'-P energy: -28.233
tors. eta vs tors. theta energy: -53.397
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: 6, replica: 2
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -530.009737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.009737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.009737 (E_RNA)
where:
Base-Base interactions energy: -336.835
where: short stacking energy: -162.626
Base-Backbone interact. energy: 1.037
local terms energy: -194.211516
where:
bonds (distance) C4'-P energy: -38.573
bonds (distance) P-C4' energy: -35.000
flat angles C4'-P-C4' energy: -45.140
flat angles P-C4'-P energy: -25.280
tors. eta vs tors. theta energy: -50.218
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: 7, replica: 5
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -500.895156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.895156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.895156 (E_RNA)
where:
Base-Base interactions energy: -331.200
where: short stacking energy: -145.150
Base-Backbone interact. energy: -0.608
local terms energy: -169.087158
where:
bonds (distance) C4'-P energy: -28.650
bonds (distance) P-C4' energy: -40.290
flat angles C4'-P-C4' energy: -45.948
flat angles P-C4'-P energy: -11.500
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: 8, replica: 8
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -267.825814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.825814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.825814 (E_RNA)
where:
Base-Base interactions energy: -144.113
where: short stacking energy: -86.526
Base-Backbone interact. energy: -0.414
local terms energy: -123.298482
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -33.476
flat angles C4'-P-C4' energy: -31.167
flat angles P-C4'-P energy: -23.773
tors. eta vs tors. theta energy: -15.226
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: 332
Temperature: 1.300000
Total energy: -200.345158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.345158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.345158 (E_RNA)
where:
Base-Base interactions energy: -79.439
where: short stacking energy: -62.658
Base-Backbone interact. energy: 1.126
local terms energy: -122.031881
where:
bonds (distance) C4'-P energy: -36.499
bonds (distance) P-C4' energy: -38.341
flat angles C4'-P-C4' energy: -35.658
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -1.658
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: 10
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -172.622441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.622441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.622441 (E_RNA)
where:
Base-Base interactions energy: -64.079
where: short stacking energy: -56.282
Base-Backbone interact. energy: -0.375
local terms energy: -108.167865
where:
bonds (distance) C4'-P energy: -29.755
bonds (distance) P-C4' energy: -36.448
flat angles C4'-P-C4' energy: -22.287
flat angles P-C4'-P energy: -17.145
tors. eta vs tors. theta energy: -2.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -685.151448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.151448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.151448 (E_RNA)
where:
Base-Base interactions energy: -474.319
where: short stacking energy: -203.332
Base-Backbone interact. energy: -0.763
local terms energy: -210.069965
where:
bonds (distance) C4'-P energy: -34.229
bonds (distance) P-C4' energy: -38.337
flat angles C4'-P-C4' energy: -47.817
flat angles P-C4'-P energy: -25.276
tors. eta vs tors. theta energy: -64.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -684.987787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.987787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.987787 (E_RNA)
where:
Base-Base interactions energy: -473.780
where: short stacking energy: -191.823
Base-Backbone interact. energy: -0.386
local terms energy: -210.821955
where:
bonds (distance) C4'-P energy: -37.453
bonds (distance) P-C4' energy: -33.369
flat angles C4'-P-C4' energy: -43.616
flat angles P-C4'-P energy: -32.453
tors. eta vs tors. theta energy: -63.931
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: 1
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -656.922145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.922145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.922145 (E_RNA)
where:
Base-Base interactions energy: -451.250
where: short stacking energy: -193.199
Base-Backbone interact. energy: 0.252
local terms energy: -205.923633
where:
bonds (distance) C4'-P energy: -31.074
bonds (distance) P-C4' energy: -38.785
flat angles C4'-P-C4' energy: -46.726
flat angles P-C4'-P energy: -33.252
tors. eta vs tors. theta energy: -56.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -610.100046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.100046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.100046 (E_RNA)
where:
Base-Base interactions energy: -416.062
where: short stacking energy: -177.558
Base-Backbone interact. energy: -0.158
local terms energy: -193.880184
where:
bonds (distance) C4'-P energy: -34.733
bonds (distance) P-C4' energy: -38.973
flat angles C4'-P-C4' energy: -40.688
flat angles P-C4'-P energy: -26.666
tors. eta vs tors. theta energy: -52.819
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: 7
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -562.910738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.910738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.910738 (E_RNA)
where:
Base-Base interactions energy: -366.884
where: short stacking energy: -173.849
Base-Backbone interact. energy: -0.410
local terms energy: -195.617145
where:
bonds (distance) C4'-P energy: -34.761
bonds (distance) P-C4' energy: -40.460
flat angles C4'-P-C4' energy: -44.798
flat angles P-C4'-P energy: -22.464
tors. eta vs tors. theta energy: -53.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -522.925417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.925417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.925417 (E_RNA)
where:
Base-Base interactions energy: -325.752
where: short stacking energy: -152.266
Base-Backbone interact. energy: -0.234
local terms energy: -196.938771
where:
bonds (distance) C4'-P energy: -39.296
bonds (distance) P-C4' energy: -34.219
flat angles C4'-P-C4' energy: -47.710
flat angles P-C4'-P energy: -27.378
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: 5
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -455.656940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.656940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.656940 (E_RNA)
where:
Base-Base interactions energy: -296.777
where: short stacking energy: -130.463
Base-Backbone interact. energy: -1.582
local terms energy: -157.297605
where:
bonds (distance) C4'-P energy: -27.223
bonds (distance) P-C4' energy: -39.701
flat angles C4'-P-C4' energy: -36.535
flat angles P-C4'-P energy: -25.086
tors. eta vs tors. theta energy: -28.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -259.292867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.292867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.292867 (E_RNA)
where:
Base-Base interactions energy: -121.585
where: short stacking energy: -66.790
Base-Backbone interact. energy: -0.152
local terms energy: -137.555908
where:
bonds (distance) C4'-P energy: -36.654
bonds (distance) P-C4' energy: -30.921
flat angles C4'-P-C4' energy: -35.151
flat angles P-C4'-P energy: -27.803
tors. eta vs tors. theta energy: -7.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -177.364263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.364263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.364263 (E_RNA)
where:
Base-Base interactions energy: -63.287
where: short stacking energy: -56.265
Base-Backbone interact. energy: -1.200
local terms energy: -112.877376
where:
bonds (distance) C4'-P energy: -21.979
bonds (distance) P-C4' energy: -37.899
flat angles C4'-P-C4' energy: -35.421
flat angles P-C4'-P energy: -19.457
tors. eta vs tors. theta energy: 1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -167.928866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.928866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.928866 (E_RNA)
where:
Base-Base interactions energy: -47.671
where: short stacking energy: -43.496
Base-Backbone interact. energy: 0.740
local terms energy: -120.998157
where:
bonds (distance) C4'-P energy: -27.456
bonds (distance) P-C4' energy: -32.877
flat angles C4'-P-C4' energy: -31.150
flat angles P-C4'-P energy: -20.016
tors. eta vs tors. theta energy: -9.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -682.843212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.843212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.843212 (E_RNA)
where:
Base-Base interactions energy: -468.729
where: short stacking energy: -192.892
Base-Backbone interact. energy: -0.840
local terms energy: -213.274403
where:
bonds (distance) C4'-P energy: -34.650
bonds (distance) P-C4' energy: -45.142
flat angles C4'-P-C4' energy: -44.639
flat angles P-C4'-P energy: -24.322
tors. eta vs tors. theta energy: -64.522
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: 9
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -666.719082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.719082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.719082 (E_RNA)
where:
Base-Base interactions energy: -440.285
where: short stacking energy: -191.940
Base-Backbone interact. energy: -0.286
local terms energy: -226.147711
where:
bonds (distance) C4'-P energy: -41.859
bonds (distance) P-C4' energy: -42.051
flat angles C4'-P-C4' energy: -45.421
flat angles P-C4'-P energy: -30.157
tors. eta vs tors. theta energy: -66.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -682.244943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.244943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.244943 (E_RNA)
where:
Base-Base interactions energy: -468.041
where: short stacking energy: -192.145
Base-Backbone interact. energy: -2.143
local terms energy: -212.060939
where:
bonds (distance) C4'-P energy: -37.358
bonds (distance) P-C4' energy: -45.272
flat angles C4'-P-C4' energy: -46.946
flat angles P-C4'-P energy: -29.847
tors. eta vs tors. theta energy: -52.638
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: 4
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -600.038635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.038635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.038635 (E_RNA)
where:
Base-Base interactions energy: -397.920
where: short stacking energy: -172.492
Base-Backbone interact. energy: -0.461
local terms energy: -201.657592
where:
bonds (distance) C4'-P energy: -36.122
bonds (distance) P-C4' energy: -41.646
flat angles C4'-P-C4' energy: -41.427
flat angles P-C4'-P energy: -29.230
tors. eta vs tors. theta energy: -53.232
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: 7
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -563.072278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.072278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.072278 (E_RNA)
where:
Base-Base interactions energy: -372.611
where: short stacking energy: -169.179
Base-Backbone interact. energy: -1.045
local terms energy: -189.416263
where:
bonds (distance) C4'-P energy: -35.366
bonds (distance) P-C4' energy: -31.363
flat angles C4'-P-C4' energy: -40.346
flat angles P-C4'-P energy: -30.174
tors. eta vs tors. theta energy: -52.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -532.815229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.815229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.815229 (E_RNA)
where:
Base-Base interactions energy: -354.204
where: short stacking energy: -155.778
Base-Backbone interact. energy: -0.970
local terms energy: -177.641684
where:
bonds (distance) C4'-P energy: -34.359
bonds (distance) P-C4' energy: -37.864
flat angles C4'-P-C4' energy: -42.968
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -48.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -471.631490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.631490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.631490 (E_RNA)
where:
Base-Base interactions energy: -314.458
where: short stacking energy: -134.410
Base-Backbone interact. energy: -0.394
local terms energy: -156.779851
where:
bonds (distance) C4'-P energy: -40.186
bonds (distance) P-C4' energy: -25.007
flat angles C4'-P-C4' energy: -35.406
flat angles P-C4'-P energy: -22.087
tors. eta vs tors. theta energy: -34.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -313.375655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.375655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.375655 (E_RNA)
where:
Base-Base interactions energy: -153.109
where: short stacking energy: -87.953
Base-Backbone interact. energy: -1.162
local terms energy: -159.104247
where:
bonds (distance) C4'-P energy: -37.633
bonds (distance) P-C4' energy: -40.897
flat angles C4'-P-C4' energy: -34.756
flat angles P-C4'-P energy: -26.509
tors. eta vs tors. theta energy: -19.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -186.059707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.059707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.059707 (E_RNA)
where:
Base-Base interactions energy: -63.816
where: short stacking energy: -54.601
Base-Backbone interact. energy: -0.841
local terms energy: -121.403000
where:
bonds (distance) C4'-P energy: -34.556
bonds (distance) P-C4' energy: -32.192
flat angles C4'-P-C4' energy: -27.927
flat angles P-C4'-P energy: -27.196
tors. eta vs tors. theta energy: 0.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -154.918390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.918390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.918390 (E_RNA)
where:
Base-Base interactions energy: -50.346
where: short stacking energy: -32.818
Base-Backbone interact. energy: 1.491
local terms energy: -106.063194
where:
bonds (distance) C4'-P energy: -35.310
bonds (distance) P-C4' energy: -36.608
flat angles C4'-P-C4' energy: -22.403
flat angles P-C4'-P energy: -18.072
tors. eta vs tors. theta energy: 6.330
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: 1, replica: 3
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -685.339400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.339400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.339400 (E_RNA)
where:
Base-Base interactions energy: -472.567
where: short stacking energy: -189.415
Base-Backbone interact. energy: -0.703
local terms energy: -212.069357
where:
bonds (distance) C4'-P energy: -33.537
bonds (distance) P-C4' energy: -41.947
flat angles C4'-P-C4' energy: -47.332
flat angles P-C4'-P energy: -29.481
tors. eta vs tors. theta energy: -59.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -665.080858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.080858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.080858 (E_RNA)
where:
Base-Base interactions energy: -452.410
where: short stacking energy: -195.831
Base-Backbone interact. energy: 0.419
local terms energy: -213.089927
where:
bonds (distance) C4'-P energy: -38.891
bonds (distance) P-C4' energy: -39.276
flat angles C4'-P-C4' energy: -41.091
flat angles P-C4'-P energy: -33.163
tors. eta vs tors. theta energy: -60.668
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: 9
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -653.543130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.543130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.543130 (E_RNA)
where:
Base-Base interactions energy: -430.093
where: short stacking energy: -188.743
Base-Backbone interact. energy: -0.396
local terms energy: -223.054528
where:
bonds (distance) C4'-P energy: -41.423
bonds (distance) P-C4' energy: -36.506
flat angles C4'-P-C4' energy: -51.028
flat angles P-C4'-P energy: -29.408
tors. eta vs tors. theta energy: -64.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -592.558928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.558928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.558928 (E_RNA)
where:
Base-Base interactions energy: -395.500
where: short stacking energy: -164.695
Base-Backbone interact. energy: -0.442
local terms energy: -196.616740
where:
bonds (distance) C4'-P energy: -36.073
bonds (distance) P-C4' energy: -45.497
flat angles C4'-P-C4' energy: -36.230
flat angles P-C4'-P energy: -27.844
tors. eta vs tors. theta energy: -50.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -555.937512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.937512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.937512 (E_RNA)
where:
Base-Base interactions energy: -352.155
where: short stacking energy: -162.368
Base-Backbone interact. energy: -0.361
local terms energy: -203.421551
where:
bonds (distance) C4'-P energy: -37.299
bonds (distance) P-C4' energy: -46.491
flat angles C4'-P-C4' energy: -39.236
flat angles P-C4'-P energy: -31.727
tors. eta vs tors. theta energy: -48.668
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: 2
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -536.132673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.132673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.132673 (E_RNA)
where:
Base-Base interactions energy: -342.476
where: short stacking energy: -169.266
Base-Backbone interact. energy: -2.073
local terms energy: -191.583721
where:
bonds (distance) C4'-P energy: -38.007
bonds (distance) P-C4' energy: -38.204
flat angles C4'-P-C4' energy: -40.616
flat angles P-C4'-P energy: -22.311
tors. eta vs tors. theta energy: -52.445
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: 5
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -481.765425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.765425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.765425 (E_RNA)
where:
Base-Base interactions energy: -322.480
where: short stacking energy: -135.089
Base-Backbone interact. energy: -1.077
local terms energy: -158.208242
where:
bonds (distance) C4'-P energy: -23.087
bonds (distance) P-C4' energy: -32.707
flat angles C4'-P-C4' energy: -42.238
flat angles P-C4'-P energy: -27.284
tors. eta vs tors. theta energy: -32.892
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: 10
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -183.169050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.169050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.169050 (E_RNA)
where:
Base-Base interactions energy: -61.244
where: short stacking energy: -53.482
Base-Backbone interact. energy: -0.605
local terms energy: -121.319964
where:
bonds (distance) C4'-P energy: -34.816
bonds (distance) P-C4' energy: -40.516
flat angles C4'-P-C4' energy: -26.334
flat angles P-C4'-P energy: -20.287
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: 9, replica: 8
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -233.218782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.218782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.218782 (E_RNA)
where:
Base-Base interactions energy: -110.886
where: short stacking energy: -55.161
Base-Backbone interact. energy: 1.871
local terms energy: -124.204316
where:
bonds (distance) C4'-P energy: -40.335
bonds (distance) P-C4' energy: -37.318
flat angles C4'-P-C4' energy: -24.943
flat angles P-C4'-P energy: -16.134
tors. eta vs tors. theta energy: -5.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -171.908799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.908799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.908799 (E_RNA)
where:
Base-Base interactions energy: -62.949
where: short stacking energy: -54.646
Base-Backbone interact. energy: -0.538
local terms energy: -108.421630
where:
bonds (distance) C4'-P energy: -37.792
bonds (distance) P-C4' energy: -29.155
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -20.452
tors. eta vs tors. theta energy: -1.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -688.046652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.046652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.046652 (E_RNA)
where:
Base-Base interactions energy: -464.355
where: short stacking energy: -187.328
Base-Backbone interact. energy: 0.641
local terms energy: -224.333116
where:
bonds (distance) C4'-P energy: -44.073
bonds (distance) P-C4' energy: -42.728
flat angles C4'-P-C4' energy: -47.974
flat angles P-C4'-P energy: -24.800
tors. eta vs tors. theta energy: -64.757
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: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -673.536936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.536936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.536936 (E_RNA)
where:
Base-Base interactions energy: -458.979
where: short stacking energy: -203.063
Base-Backbone interact. energy: -0.567
local terms energy: -213.990910
where:
bonds (distance) C4'-P energy: -37.248
bonds (distance) P-C4' energy: -40.361
flat angles C4'-P-C4' energy: -44.351
flat angles P-C4'-P energy: -30.370
tors. eta vs tors. theta energy: -61.661
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: 9
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -667.927312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.927312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.927312 (E_RNA)
where:
Base-Base interactions energy: -454.355
where: short stacking energy: -196.516
Base-Backbone interact. energy: -0.740
local terms energy: -212.832238
where:
bonds (distance) C4'-P energy: -33.959
bonds (distance) P-C4' energy: -36.057
flat angles C4'-P-C4' energy: -43.076
flat angles P-C4'-P energy: -32.661
tors. eta vs tors. theta energy: -67.079
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: 4
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -575.424243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.424243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.424243 (E_RNA)
where:
Base-Base interactions energy: -385.049
where: short stacking energy: -165.359
Base-Backbone interact. energy: -0.159
local terms energy: -190.216068
where:
bonds (distance) C4'-P energy: -36.551
bonds (distance) P-C4' energy: -37.100
flat angles C4'-P-C4' energy: -40.726
flat angles P-C4'-P energy: -24.847
tors. eta vs tors. theta energy: -50.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -541.186161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.186161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.186161 (E_RNA)
where:
Base-Base interactions energy: -369.450
where: short stacking energy: -170.127
Base-Backbone interact. energy: -0.760
local terms energy: -170.976425
where:
bonds (distance) C4'-P energy: -22.094
bonds (distance) P-C4' energy: -39.444
flat angles C4'-P-C4' energy: -40.564
flat angles P-C4'-P energy: -25.867
tors. eta vs tors. theta energy: -43.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -546.734321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.734321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.734321 (E_RNA)
where:
Base-Base interactions energy: -361.653
where: short stacking energy: -174.563
Base-Backbone interact. energy: -0.226
local terms energy: -184.855861
where:
bonds (distance) C4'-P energy: -25.918
bonds (distance) P-C4' energy: -39.546
flat angles C4'-P-C4' energy: -41.048
flat angles P-C4'-P energy: -27.005
tors. eta vs tors. theta energy: -51.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -477.370240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.370240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.370240 (E_RNA)
where:
Base-Base interactions energy: -299.747
where: short stacking energy: -138.258
Base-Backbone interact. energy: -0.434
local terms energy: -177.189743
where:
bonds (distance) C4'-P energy: -28.390
bonds (distance) P-C4' energy: -43.724
flat angles C4'-P-C4' energy: -41.719
flat angles P-C4'-P energy: -23.092
tors. eta vs tors. theta energy: -40.265
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: 10
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -207.313202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.313202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.313202 (E_RNA)
where:
Base-Base interactions energy: -81.878
where: short stacking energy: -51.487
Base-Backbone interact. energy: -0.652
local terms energy: -124.783479
where:
bonds (distance) C4'-P energy: -28.185
bonds (distance) P-C4' energy: -39.745
flat angles C4'-P-C4' energy: -28.609
flat angles P-C4'-P energy: -25.809
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: 9, replica: 8
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -222.476798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.476798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.476798 (E_RNA)
where:
Base-Base interactions energy: -108.058
where: short stacking energy: -33.710
Base-Backbone interact. energy: -1.512
local terms energy: -112.906564
where:
bonds (distance) C4'-P energy: -33.272
bonds (distance) P-C4' energy: -43.603
flat angles C4'-P-C4' energy: -27.216
flat angles P-C4'-P energy: -15.910
tors. eta vs tors. theta energy: 7.094
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: 6
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -162.377718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.377718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.377718 (E_RNA)
where:
Base-Base interactions energy: -59.719
where: short stacking energy: -39.152
Base-Backbone interact. energy: -0.229
local terms energy: -102.429066
where:
bonds (distance) C4'-P energy: -30.173
bonds (distance) P-C4' energy: -31.523
flat angles C4'-P-C4' energy: -31.901
flat angles P-C4'-P energy: -22.074
tors. eta vs tors. theta energy: 13.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -694.183818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.183818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.183818 (E_RNA)
where:
Base-Base interactions energy: -476.310
where: short stacking energy: -198.774
Base-Backbone interact. energy: -0.626
local terms energy: -217.247847
where:
bonds (distance) C4'-P energy: -41.807
bonds (distance) P-C4' energy: -35.531
flat angles C4'-P-C4' energy: -46.807
flat angles P-C4'-P energy: -29.499
tors. eta vs tors. theta energy: -63.604
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: 2, replica: 9
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -643.934481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.934481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.934481 (E_RNA)
where:
Base-Base interactions energy: -443.726
where: short stacking energy: -184.056
Base-Backbone interact. energy: 1.118
local terms energy: -201.326116
where:
bonds (distance) C4'-P energy: -35.379
bonds (distance) P-C4' energy: -31.687
flat angles C4'-P-C4' energy: -43.512
flat angles P-C4'-P energy: -35.566
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: 3, replica: 1
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -651.844291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.844291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.844291 (E_RNA)
where:
Base-Base interactions energy: -445.709
where: short stacking energy: -201.003
Base-Backbone interact. energy: -0.861
local terms energy: -205.274586
where:
bonds (distance) C4'-P energy: -36.610
bonds (distance) P-C4' energy: -36.351
flat angles C4'-P-C4' energy: -37.495
flat angles P-C4'-P energy: -28.669
tors. eta vs tors. theta energy: -66.150
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: 337
Temperature: 1.050000
Total energy: -569.937918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.937918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.937918 (E_RNA)
where:
Base-Base interactions energy: -389.840
where: short stacking energy: -160.767
Base-Backbone interact. energy: -0.382
local terms energy: -179.716654
where:
bonds (distance) C4'-P energy: -38.655
bonds (distance) P-C4' energy: -39.433
flat angles C4'-P-C4' energy: -42.948
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -47.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -560.954025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.954025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.954025 (E_RNA)
where:
Base-Base interactions energy: -352.585
where: short stacking energy: -175.966
Base-Backbone interact. energy: -0.431
local terms energy: -207.938194
where:
bonds (distance) C4'-P energy: -33.556
bonds (distance) P-C4' energy: -43.936
flat angles C4'-P-C4' energy: -45.812
flat angles P-C4'-P energy: -29.246
tors. eta vs tors. theta energy: -55.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -544.377929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.377929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.377929 (E_RNA)
where:
Base-Base interactions energy: -346.600
where: short stacking energy: -171.861
Base-Backbone interact. energy: 0.029
local terms energy: -197.806775
where:
bonds (distance) C4'-P energy: -36.000
bonds (distance) P-C4' energy: -39.529
flat angles C4'-P-C4' energy: -41.548
flat angles P-C4'-P energy: -29.933
tors. eta vs tors. theta energy: -50.797
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: 7, replica: 5
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -448.989360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.989360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.989360 (E_RNA)
where:
Base-Base interactions energy: -296.154
where: short stacking energy: -117.129
Base-Backbone interact. energy: 0.079
local terms energy: -152.914181
where:
bonds (distance) C4'-P energy: -34.466
bonds (distance) P-C4' energy: -30.838
flat angles C4'-P-C4' energy: -34.728
flat angles P-C4'-P energy: -20.307
tors. eta vs tors. theta energy: -32.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -264.717996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.717996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.717996 (E_RNA)
where:
Base-Base interactions energy: -122.202
where: short stacking energy: -63.991
Base-Backbone interact. energy: -0.976
local terms energy: -141.539986
where:
bonds (distance) C4'-P energy: -32.292
bonds (distance) P-C4' energy: -42.456
flat angles C4'-P-C4' energy: -39.616
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -9.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -253.216499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.216499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.216499 (E_RNA)
where:
Base-Base interactions energy: -120.589
where: short stacking energy: -72.702
Base-Backbone interact. energy: 1.105
local terms energy: -133.732652
where:
bonds (distance) C4'-P energy: -38.516
bonds (distance) P-C4' energy: -40.091
flat angles C4'-P-C4' energy: -34.633
flat angles P-C4'-P energy: -13.433
tors. eta vs tors. theta energy: -7.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -170.133328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.133328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.133328 (E_RNA)
where:
Base-Base interactions energy: -59.002
where: short stacking energy: -35.339
Base-Backbone interact. energy: -1.478
local terms energy: -109.653680
where:
bonds (distance) C4'-P energy: -28.345
bonds (distance) P-C4' energy: -36.915
flat angles C4'-P-C4' energy: -31.129
flat angles P-C4'-P energy: -17.275
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: 1, replica: 3
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -686.634280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.634280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.634280 (E_RNA)
where:
Base-Base interactions energy: -470.424
where: short stacking energy: -187.104
Base-Backbone interact. energy: -0.544
local terms energy: -215.666332
where:
bonds (distance) C4'-P energy: -35.414
bonds (distance) P-C4' energy: -42.399
flat angles C4'-P-C4' energy: -44.740
flat angles P-C4'-P energy: -31.436
tors. eta vs tors. theta energy: -61.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -651.608054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.608054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.608054 (E_RNA)
where:
Base-Base interactions energy: -453.307
where: short stacking energy: -185.743
Base-Backbone interact. energy: -0.629
local terms energy: -197.671428
where:
bonds (distance) C4'-P energy: -36.932
bonds (distance) P-C4' energy: -43.780
flat angles C4'-P-C4' energy: -39.833
flat angles P-C4'-P energy: -21.817
tors. eta vs tors. theta energy: -55.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -654.095429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.095429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.095429 (E_RNA)
where:
Base-Base interactions energy: -450.772
where: short stacking energy: -204.517
Base-Backbone interact. energy: -0.594
local terms energy: -202.729961
where:
bonds (distance) C4'-P energy: -33.884
bonds (distance) P-C4' energy: -33.086
flat angles C4'-P-C4' energy: -43.928
flat angles P-C4'-P energy: -27.773
tors. eta vs tors. theta energy: -64.059
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: 4
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -597.716325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.716325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.716325 (E_RNA)
where:
Base-Base interactions energy: -399.870
where: short stacking energy: -166.997
Base-Backbone interact. energy: 1.292
local terms energy: -199.137874
where:
bonds (distance) C4'-P energy: -45.258
bonds (distance) P-C4' energy: -40.436
flat angles C4'-P-C4' energy: -37.219
flat angles P-C4'-P energy: -27.785
tors. eta vs tors. theta energy: -48.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -573.059673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.059673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.059673 (E_RNA)
where:
Base-Base interactions energy: -376.557
where: short stacking energy: -167.205
Base-Backbone interact. energy: -0.329
local terms energy: -196.173259
where:
bonds (distance) C4'-P energy: -29.818
bonds (distance) P-C4' energy: -44.250
flat angles C4'-P-C4' energy: -47.918
flat angles P-C4'-P energy: -23.708
tors. eta vs tors. theta energy: -50.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -527.741227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.741227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.741227 (E_RNA)
where:
Base-Base interactions energy: -342.987
where: short stacking energy: -151.417
Base-Backbone interact. energy: 1.021
local terms energy: -185.774990
where:
bonds (distance) C4'-P energy: -35.026
bonds (distance) P-C4' energy: -35.220
flat angles C4'-P-C4' energy: -44.102
flat angles P-C4'-P energy: -24.689
tors. eta vs tors. theta energy: -46.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -461.167747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.167747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.167747 (E_RNA)
where:
Base-Base interactions energy: -312.560
where: short stacking energy: -134.217
Base-Backbone interact. energy: -0.331
local terms energy: -148.276186
where:
bonds (distance) C4'-P energy: -24.269
bonds (distance) P-C4' energy: -23.849
flat angles C4'-P-C4' energy: -39.295
flat angles P-C4'-P energy: -25.193
tors. eta vs tors. theta energy: -35.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -264.524942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.524942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.524942 (E_RNA)
where:
Base-Base interactions energy: -129.591
where: short stacking energy: -61.587
Base-Backbone interact. energy: -0.248
local terms energy: -134.686108
where:
bonds (distance) C4'-P energy: -38.813
bonds (distance) P-C4' energy: -44.614
flat angles C4'-P-C4' energy: -30.920
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -13.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -269.209465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.209465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.209465 (E_RNA)
where:
Base-Base interactions energy: -138.742
where: short stacking energy: -83.301
Base-Backbone interact. energy: 0.601
local terms energy: -131.068250
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -46.145
flat angles C4'-P-C4' energy: -35.605
flat angles P-C4'-P energy: -20.982
tors. eta vs tors. theta energy: -8.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -215.986709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.986709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.986709 (E_RNA)
where:
Base-Base interactions energy: -101.841
where: short stacking energy: -42.625
Base-Backbone interact. energy: -2.256
local terms energy: -111.889917
where:
bonds (distance) C4'-P energy: -22.340
bonds (distance) P-C4' energy: -34.637
flat angles C4'-P-C4' energy: -33.520
flat angles P-C4'-P energy: -24.730
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: 3
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -687.331841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.331841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.331841 (E_RNA)
where:
Base-Base interactions energy: -476.732
where: short stacking energy: -202.346
Base-Backbone interact. energy: -0.666
local terms energy: -209.933679
where:
bonds (distance) C4'-P energy: -42.575
bonds (distance) P-C4' energy: -42.547
flat angles C4'-P-C4' energy: -38.458
flat angles P-C4'-P energy: -25.480
tors. eta vs tors. theta energy: -60.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -677.768054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.768054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.768054 (E_RNA)
where:
Base-Base interactions energy: -453.411
where: short stacking energy: -206.520
Base-Backbone interact. energy: 1.456
local terms energy: -225.813366
where:
bonds (distance) C4'-P energy: -40.534
bonds (distance) P-C4' energy: -39.445
flat angles C4'-P-C4' energy: -46.329
flat angles P-C4'-P energy: -35.818
tors. eta vs tors. theta energy: -63.687
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: 9
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -641.579343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.579343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.579343 (E_RNA)
where:
Base-Base interactions energy: -429.792
where: short stacking energy: -181.290
Base-Backbone interact. energy: -1.674
local terms energy: -210.113281
where:
bonds (distance) C4'-P energy: -37.166
bonds (distance) P-C4' energy: -36.205
flat angles C4'-P-C4' energy: -41.446
flat angles P-C4'-P energy: -37.169
tors. eta vs tors. theta energy: -58.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -579.254989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.254989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.254989 (E_RNA)
where:
Base-Base interactions energy: -377.782
where: short stacking energy: -170.056
Base-Backbone interact. energy: -0.573
local terms energy: -200.900185
where:
bonds (distance) C4'-P energy: -34.607
bonds (distance) P-C4' energy: -35.176
flat angles C4'-P-C4' energy: -45.764
flat angles P-C4'-P energy: -29.816
tors. eta vs tors. theta energy: -55.537
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: 4
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -577.637097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.637097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.637097 (E_RNA)
where:
Base-Base interactions energy: -384.566
where: short stacking energy: -158.320
Base-Backbone interact. energy: 0.038
local terms energy: -193.109255
where:
bonds (distance) C4'-P energy: -39.020
bonds (distance) P-C4' energy: -37.643
flat angles C4'-P-C4' energy: -44.290
flat angles P-C4'-P energy: -21.239
tors. eta vs tors. theta energy: -50.917
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: 339
Temperature: 1.150000
Total energy: -498.551548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.551548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.551548 (E_RNA)
where:
Base-Base interactions energy: -334.246
where: short stacking energy: -141.744
Base-Backbone interact. energy: -0.878
local terms energy: -163.427862
where:
bonds (distance) C4'-P energy: -32.875
bonds (distance) P-C4' energy: -38.360
flat angles C4'-P-C4' energy: -33.153
flat angles P-C4'-P energy: -16.545
tors. eta vs tors. theta energy: -42.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -536.435879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.435879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.435879 (E_RNA)
where:
Base-Base interactions energy: -338.150
where: short stacking energy: -151.367
Base-Backbone interact. energy: 0.339
local terms energy: -198.624757
where:
bonds (distance) C4'-P energy: -40.154
bonds (distance) P-C4' energy: -39.759
flat angles C4'-P-C4' energy: -40.438
flat angles P-C4'-P energy: -30.192
tors. eta vs tors. theta energy: -48.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -256.456417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.456417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.456417 (E_RNA)
where:
Base-Base interactions energy: -140.406
where: short stacking energy: -80.856
Base-Backbone interact. energy: 5.243
local terms energy: -121.294063
where:
bonds (distance) C4'-P energy: -33.608
bonds (distance) P-C4' energy: -35.213
flat angles C4'-P-C4' energy: -31.973
flat angles P-C4'-P energy: -17.957
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: 9, replica: 10
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -259.470476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.470476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.470476 (E_RNA)
where:
Base-Base interactions energy: -132.926
where: short stacking energy: -73.622
Base-Backbone interact. energy: -0.664
local terms energy: -125.879945
where:
bonds (distance) C4'-P energy: -33.816
bonds (distance) P-C4' energy: -34.158
flat angles C4'-P-C4' energy: -31.811
flat angles P-C4'-P energy: -14.549
tors. eta vs tors. theta energy: -11.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -194.122669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.122669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.122669 (E_RNA)
where:
Base-Base interactions energy: -79.739
where: short stacking energy: -37.313
Base-Backbone interact. energy: -1.260
local terms energy: -113.123462
where:
bonds (distance) C4'-P energy: -31.121
bonds (distance) P-C4' energy: -38.709
flat angles C4'-P-C4' energy: -31.506
flat angles P-C4'-P energy: -18.132
tors. eta vs tors. theta energy: 6.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -683.118718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.118718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.118718 (E_RNA)
where:
Base-Base interactions energy: -464.936
where: short stacking energy: -205.619
Base-Backbone interact. energy: 2.133
local terms energy: -220.315827
where:
bonds (distance) C4'-P energy: -45.982
bonds (distance) P-C4' energy: -34.599
flat angles C4'-P-C4' energy: -46.930
flat angles P-C4'-P energy: -31.540
tors. eta vs tors. theta energy: -61.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -667.555284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.555284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.555284 (E_RNA)
where:
Base-Base interactions energy: -460.829
where: short stacking energy: -184.590
Base-Backbone interact. energy: 0.187
local terms energy: -206.913420
where:
bonds (distance) C4'-P energy: -35.063
bonds (distance) P-C4' energy: -35.077
flat angles C4'-P-C4' energy: -43.455
flat angles P-C4'-P energy: -30.975
tors. eta vs tors. theta energy: -62.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -651.918068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.918068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.918068 (E_RNA)
where:
Base-Base interactions energy: -433.824
where: short stacking energy: -187.248
Base-Backbone interact. energy: -0.058
local terms energy: -218.035641
where:
bonds (distance) C4'-P energy: -38.891
bonds (distance) P-C4' energy: -45.988
flat angles C4'-P-C4' energy: -41.704
flat angles P-C4'-P energy: -27.390
tors. eta vs tors. theta energy: -64.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -578.691448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.691448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.691448 (E_RNA)
where:
Base-Base interactions energy: -388.149
where: short stacking energy: -164.151
Base-Backbone interact. energy: -0.544
local terms energy: -189.998492
where:
bonds (distance) C4'-P energy: -33.125
bonds (distance) P-C4' energy: -40.024
flat angles C4'-P-C4' energy: -43.295
flat angles P-C4'-P energy: -24.623
tors. eta vs tors. theta energy: -48.931
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: 340
Temperature: 1.100000
Total energy: -512.756614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.756614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.756614 (E_RNA)
where:
Base-Base interactions energy: -325.263
where: short stacking energy: -157.594
Base-Backbone interact. energy: 0.085
local terms energy: -187.578178
where:
bonds (distance) C4'-P energy: -35.972
bonds (distance) P-C4' energy: -38.439
flat angles C4'-P-C4' energy: -41.269
flat angles P-C4'-P energy: -26.172
tors. eta vs tors. theta energy: -45.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -552.646686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.646686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.646686 (E_RNA)
where:
Base-Base interactions energy: -377.641
where: short stacking energy: -160.328
Base-Backbone interact. energy: -1.347
local terms energy: -173.658852
where:
bonds (distance) C4'-P energy: -30.427
bonds (distance) P-C4' energy: -33.422
flat angles C4'-P-C4' energy: -35.742
flat angles P-C4'-P energy: -30.389
tors. eta vs tors. theta energy: -43.678
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: 340
Temperature: 1.200000
Total energy: -540.983792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.983792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.983792 (E_RNA)
where:
Base-Base interactions energy: -348.283
where: short stacking energy: -157.189
Base-Backbone interact. energy: -0.096
local terms energy: -192.604929
where:
bonds (distance) C4'-P energy: -37.031
bonds (distance) P-C4' energy: -40.263
flat angles C4'-P-C4' energy: -44.094
flat angles P-C4'-P energy: -22.040
tors. eta vs tors. theta energy: -49.178
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: 8
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -273.510449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.510449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.510449 (E_RNA)
where:
Base-Base interactions energy: -142.977
where: short stacking energy: -89.330
Base-Backbone interact. energy: 0.067
local terms energy: -130.599570
where:
bonds (distance) C4'-P energy: -34.549
bonds (distance) P-C4' energy: -27.617
flat angles C4'-P-C4' energy: -32.877
flat angles P-C4'-P energy: -19.138
tors. eta vs tors. theta energy: -16.420
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: 6
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -204.441644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.441644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.441644 (E_RNA)
where:
Base-Base interactions energy: -81.683
where: short stacking energy: -44.530
Base-Backbone interact. energy: -2.235
local terms energy: -120.524103
where:
bonds (distance) C4'-P energy: -37.555
bonds (distance) P-C4' energy: -23.518
flat angles C4'-P-C4' energy: -35.467
flat angles P-C4'-P energy: -22.436
tors. eta vs tors. theta energy: -1.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -252.223589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.223589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.223589 (E_RNA)
where:
Base-Base interactions energy: -135.438
where: short stacking energy: -64.474
Base-Backbone interact. energy: -0.709
local terms energy: -116.076469
where:
bonds (distance) C4'-P energy: -33.764
bonds (distance) P-C4' energy: -30.626
flat angles C4'-P-C4' energy: -32.117
flat angles P-C4'-P energy: -18.548
tors. eta vs tors. theta energy: -1.023
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: 1
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -679.578697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.578697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.578697 (E_RNA)
where:
Base-Base interactions energy: -466.043
where: short stacking energy: -205.396
Base-Backbone interact. energy: -1.037
local terms energy: -212.498720
where:
bonds (distance) C4'-P energy: -41.571
bonds (distance) P-C4' energy: -39.722
flat angles C4'-P-C4' energy: -45.024
flat angles P-C4'-P energy: -28.736
tors. eta vs tors. theta energy: -57.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -681.418227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.418227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.418227 (E_RNA)
where:
Base-Base interactions energy: -462.186
where: short stacking energy: -190.993
Base-Backbone interact. energy: 0.576
local terms energy: -219.808924
where:
bonds (distance) C4'-P energy: -34.500
bonds (distance) P-C4' energy: -42.345
flat angles C4'-P-C4' energy: -45.591
flat angles P-C4'-P energy: -33.361
tors. eta vs tors. theta energy: -64.013
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: 9
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -613.734934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.734934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.734934 (E_RNA)
where:
Base-Base interactions energy: -411.865
where: short stacking energy: -169.236
Base-Backbone interact. energy: 0.353
local terms energy: -202.222518
where:
bonds (distance) C4'-P energy: -38.497
bonds (distance) P-C4' energy: -32.776
flat angles C4'-P-C4' energy: -38.134
flat angles P-C4'-P energy: -31.060
tors. eta vs tors. theta energy: -61.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -574.954680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.954680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.954680 (E_RNA)
where:
Base-Base interactions energy: -374.091
where: short stacking energy: -175.806
Base-Backbone interact. energy: -1.427
local terms energy: -199.436215
where:
bonds (distance) C4'-P energy: -41.623
bonds (distance) P-C4' energy: -40.796
flat angles C4'-P-C4' energy: -42.505
flat angles P-C4'-P energy: -24.203
tors. eta vs tors. theta energy: -50.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -500.565109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.565109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.565109 (E_RNA)
where:
Base-Base interactions energy: -327.022
where: short stacking energy: -143.517
Base-Backbone interact. energy: -0.424
local terms energy: -173.119000
where:
bonds (distance) C4'-P energy: -37.020
bonds (distance) P-C4' energy: -35.941
flat angles C4'-P-C4' energy: -37.400
flat angles P-C4'-P energy: -16.732
tors. eta vs tors. theta energy: -46.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -540.844730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.844730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.844730 (E_RNA)
where:
Base-Base interactions energy: -364.748
where: short stacking energy: -137.575
Base-Backbone interact. energy: -0.960
local terms energy: -175.136594
where:
bonds (distance) C4'-P energy: -33.637
bonds (distance) P-C4' energy: -38.224
flat angles C4'-P-C4' energy: -42.921
flat angles P-C4'-P energy: -21.676
tors. eta vs tors. theta energy: -38.679
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: 7
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -511.190685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.190685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.190685 (E_RNA)
where:
Base-Base interactions energy: -324.260
where: short stacking energy: -144.703
Base-Backbone interact. energy: -0.424
local terms energy: -186.507050
where:
bonds (distance) C4'-P energy: -34.285
bonds (distance) P-C4' energy: -39.833
flat angles C4'-P-C4' energy: -40.248
flat angles P-C4'-P energy: -25.105
tors. eta vs tors. theta energy: -47.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -212.366630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.366630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.366630 (E_RNA)
where:
Base-Base interactions energy: -73.923
where: short stacking energy: -59.067
Base-Backbone interact. energy: -0.761
local terms energy: -137.682917
where:
bonds (distance) C4'-P energy: -34.240
bonds (distance) P-C4' energy: -36.147
flat angles C4'-P-C4' energy: -38.648
flat angles P-C4'-P energy: -24.737
tors. eta vs tors. theta energy: -3.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -237.709815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.709815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.709815 (E_RNA)
where:
Base-Base interactions energy: -115.737
where: short stacking energy: -60.663
Base-Backbone interact. energy: -1.371
local terms energy: -120.601621
where:
bonds (distance) C4'-P energy: -34.612
bonds (distance) P-C4' energy: -30.006
flat angles C4'-P-C4' energy: -26.450
flat angles P-C4'-P energy: -13.812
tors. eta vs tors. theta energy: -15.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -214.214400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.214400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.214400 (E_RNA)
where:
Base-Base interactions energy: -107.533
where: short stacking energy: -53.258
Base-Backbone interact. energy: -0.055
local terms energy: -106.626767
where:
bonds (distance) C4'-P energy: -39.432
bonds (distance) P-C4' energy: -34.944
flat angles C4'-P-C4' energy: -22.562
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -1.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -677.223033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.223033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.223033 (E_RNA)
where:
Base-Base interactions energy: -467.674
where: short stacking energy: -204.235
Base-Backbone interact. energy: -0.097
local terms energy: -209.452549
where:
bonds (distance) C4'-P energy: -42.211
bonds (distance) P-C4' energy: -39.266
flat angles C4'-P-C4' energy: -43.714
flat angles P-C4'-P energy: -28.333
tors. eta vs tors. theta energy: -55.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -678.160772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.160772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.160772 (E_RNA)
where:
Base-Base interactions energy: -457.111
where: short stacking energy: -187.894
Base-Backbone interact. energy: -1.075
local terms energy: -219.974208
where:
bonds (distance) C4'-P energy: -32.557
bonds (distance) P-C4' energy: -45.203
flat angles C4'-P-C4' energy: -44.263
flat angles P-C4'-P energy: -32.046
tors. eta vs tors. theta energy: -65.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -639.619890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.619890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.619890 (E_RNA)
where:
Base-Base interactions energy: -435.073
where: short stacking energy: -189.932
Base-Backbone interact. energy: 0.883
local terms energy: -205.429387
where:
bonds (distance) C4'-P energy: -38.200
bonds (distance) P-C4' energy: -35.369
flat angles C4'-P-C4' energy: -39.627
flat angles P-C4'-P energy: -30.812
tors. eta vs tors. theta energy: -61.420
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: 4, replica: 2
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -556.598125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.598125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.598125 (E_RNA)
where:
Base-Base interactions energy: -358.724
where: short stacking energy: -172.528
Base-Backbone interact. energy: -0.366
local terms energy: -197.508557
where:
bonds (distance) C4'-P energy: -37.744
bonds (distance) P-C4' energy: -36.727
flat angles C4'-P-C4' energy: -46.221
flat angles P-C4'-P energy: -19.010
tors. eta vs tors. theta energy: -57.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -577.558615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.558615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.558615 (E_RNA)
where:
Base-Base interactions energy: -384.183
where: short stacking energy: -163.252
Base-Backbone interact. energy: -0.750
local terms energy: -192.626113
where:
bonds (distance) C4'-P energy: -39.834
bonds (distance) P-C4' energy: -35.709
flat angles C4'-P-C4' energy: -36.434
flat angles P-C4'-P energy: -25.263
tors. eta vs tors. theta energy: -55.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -480.600576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.600576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.600576 (E_RNA)
where:
Base-Base interactions energy: -311.522
where: short stacking energy: -146.682
Base-Backbone interact. energy: -0.112
local terms energy: -168.967147
where:
bonds (distance) C4'-P energy: -33.243
bonds (distance) P-C4' energy: -37.991
flat angles C4'-P-C4' energy: -36.226
flat angles P-C4'-P energy: -19.263
tors. eta vs tors. theta energy: -42.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -461.578273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.578273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.578273 (E_RNA)
where:
Base-Base interactions energy: -281.754
where: short stacking energy: -142.860
Base-Backbone interact. energy: 1.331
local terms energy: -181.155485
where:
bonds (distance) C4'-P energy: -36.437
bonds (distance) P-C4' energy: -37.622
flat angles C4'-P-C4' energy: -31.783
flat angles P-C4'-P energy: -30.888
tors. eta vs tors. theta energy: -44.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -182.197443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.197443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.197443 (E_RNA)
where:
Base-Base interactions energy: -64.442
where: short stacking energy: -57.298
Base-Backbone interact. energy: -0.489
local terms energy: -117.266100
where:
bonds (distance) C4'-P energy: -32.752
bonds (distance) P-C4' energy: -30.532
flat angles C4'-P-C4' energy: -34.279
flat angles P-C4'-P energy: -21.740
tors. eta vs tors. theta energy: 2.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -256.344742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.344742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.344742 (E_RNA)
where:
Base-Base interactions energy: -132.112
where: short stacking energy: -61.696
Base-Backbone interact. energy: -1.233
local terms energy: -122.999698
where:
bonds (distance) C4'-P energy: -35.118
bonds (distance) P-C4' energy: -33.118
flat angles C4'-P-C4' energy: -26.696
flat angles P-C4'-P energy: -25.654
tors. eta vs tors. theta energy: -2.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -176.776058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.776058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.776058 (E_RNA)
where:
Base-Base interactions energy: -51.286
where: short stacking energy: -45.170
Base-Backbone interact. energy: 2.923
local terms energy: -128.413690
where:
bonds (distance) C4'-P energy: -43.038
bonds (distance) P-C4' energy: -36.379
flat angles C4'-P-C4' energy: -34.121
flat angles P-C4'-P energy: -15.890
tors. eta vs tors. theta energy: 1.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -688.917334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.917334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.917334 (E_RNA)
where:
Base-Base interactions energy: -473.559
where: short stacking energy: -192.929
Base-Backbone interact. energy: 2.359
local terms energy: -217.717278
where:
bonds (distance) C4'-P energy: -41.970
bonds (distance) P-C4' energy: -45.531
flat angles C4'-P-C4' energy: -40.446
flat angles P-C4'-P energy: -31.171
tors. eta vs tors. theta energy: -58.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -671.352451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.352451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.352451 (E_RNA)
where:
Base-Base interactions energy: -457.339
where: short stacking energy: -192.935
Base-Backbone interact. energy: -0.460
local terms energy: -213.553253
where:
bonds (distance) C4'-P energy: -36.655
bonds (distance) P-C4' energy: -44.637
flat angles C4'-P-C4' energy: -40.266
flat angles P-C4'-P energy: -28.784
tors. eta vs tors. theta energy: -63.212
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: 3, replica: 9
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -634.911564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.911564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.911564 (E_RNA)
where:
Base-Base interactions energy: -423.849
where: short stacking energy: -176.677
Base-Backbone interact. energy: -0.740
local terms energy: -210.322907
where:
bonds (distance) C4'-P energy: -41.131
bonds (distance) P-C4' energy: -38.342
flat angles C4'-P-C4' energy: -43.258
flat angles P-C4'-P energy: -27.459
tors. eta vs tors. theta energy: -60.132
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: 4, replica: 2
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -572.169802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.169802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.169802 (E_RNA)
where:
Base-Base interactions energy: -361.279
where: short stacking energy: -167.904
Base-Backbone interact. energy: 1.483
local terms energy: -212.373437
where:
bonds (distance) C4'-P energy: -37.780
bonds (distance) P-C4' energy: -37.606
flat angles C4'-P-C4' energy: -38.523
flat angles P-C4'-P energy: -37.265
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: 5, replica: 4
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -576.918671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.918671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.918671 (E_RNA)
where:
Base-Base interactions energy: -389.903
where: short stacking energy: -155.998
Base-Backbone interact. energy: 0.163
local terms energy: -187.179369
where:
bonds (distance) C4'-P energy: -34.963
bonds (distance) P-C4' energy: -33.425
flat angles C4'-P-C4' energy: -41.382
flat angles P-C4'-P energy: -25.394
tors. eta vs tors. theta energy: -52.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -495.525999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.525999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.525999 (E_RNA)
where:
Base-Base interactions energy: -311.162
where: short stacking energy: -137.102
Base-Backbone interact. energy: -0.443
local terms energy: -183.920322
where:
bonds (distance) C4'-P energy: -35.438
bonds (distance) P-C4' energy: -35.605
flat angles C4'-P-C4' energy: -40.763
flat angles P-C4'-P energy: -27.509
tors. eta vs tors. theta energy: -44.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -452.732902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.732902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.732902 (E_RNA)
where:
Base-Base interactions energy: -289.832
where: short stacking energy: -132.228
Base-Backbone interact. energy: -0.483
local terms energy: -162.417770
where:
bonds (distance) C4'-P energy: -21.585
bonds (distance) P-C4' energy: -38.130
flat angles C4'-P-C4' energy: -41.056
flat angles P-C4'-P energy: -28.620
tors. eta vs tors. theta energy: -33.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -251.326357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.326357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.326357 (E_RNA)
where:
Base-Base interactions energy: -128.228
where: short stacking energy: -70.544
Base-Backbone interact. energy: 0.558
local terms energy: -123.655934
where:
bonds (distance) C4'-P energy: -34.471
bonds (distance) P-C4' energy: -32.543
flat angles C4'-P-C4' energy: -29.749
flat angles P-C4'-P energy: -19.550
tors. eta vs tors. theta energy: -7.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -182.695453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.695453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.695453 (E_RNA)
where:
Base-Base interactions energy: -59.818
where: short stacking energy: -56.455
Base-Backbone interact. energy: 1.169
local terms energy: -124.046429
where:
bonds (distance) C4'-P energy: -32.771
bonds (distance) P-C4' energy: -38.716
flat angles C4'-P-C4' energy: -34.107
flat angles P-C4'-P energy: -18.612
tors. eta vs tors. theta energy: 0.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -164.747406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.747406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.747406 (E_RNA)
where:
Base-Base interactions energy: -55.411
where: short stacking energy: -50.478
Base-Backbone interact. energy: -0.551
local terms energy: -108.785833
where:
bonds (distance) C4'-P energy: -34.200
bonds (distance) P-C4' energy: -36.620
flat angles C4'-P-C4' energy: -21.621
flat angles P-C4'-P energy: -16.312
tors. eta vs tors. theta energy: -0.032
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: 3
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -687.046025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.046025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.046025 (E_RNA)
where:
Base-Base interactions energy: -470.641
where: short stacking energy: -191.154
Base-Backbone interact. energy: 0.519
local terms energy: -216.923638
where:
bonds (distance) C4'-P energy: -41.095
bonds (distance) P-C4' energy: -34.864
flat angles C4'-P-C4' energy: -49.478
flat angles P-C4'-P energy: -30.845
tors. eta vs tors. theta energy: -60.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -663.846142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.846142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.846142 (E_RNA)
where:
Base-Base interactions energy: -455.970
where: short stacking energy: -191.797
Base-Backbone interact. energy: 0.716
local terms energy: -208.592015
where:
bonds (distance) C4'-P energy: -40.619
bonds (distance) P-C4' energy: -39.833
flat angles C4'-P-C4' energy: -44.256
flat angles P-C4'-P energy: -27.993
tors. eta vs tors. theta energy: -55.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -632.080528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.080528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.080528 (E_RNA)
where:
Base-Base interactions energy: -428.703
where: short stacking energy: -181.929
Base-Backbone interact. energy: 0.050
local terms energy: -203.427720
where:
bonds (distance) C4'-P energy: -38.029
bonds (distance) P-C4' energy: -37.035
flat angles C4'-P-C4' energy: -43.120
flat angles P-C4'-P energy: -28.166
tors. eta vs tors. theta energy: -57.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -570.047652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.047652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.047652 (E_RNA)
where:
Base-Base interactions energy: -371.875
where: short stacking energy: -178.603
Base-Backbone interact. energy: -0.150
local terms energy: -198.022687
where:
bonds (distance) C4'-P energy: -36.519
bonds (distance) P-C4' energy: -31.654
flat angles C4'-P-C4' energy: -43.477
flat angles P-C4'-P energy: -31.002
tors. eta vs tors. theta energy: -55.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -583.676018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.676018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.676018 (E_RNA)
where:
Base-Base interactions energy: -387.141
where: short stacking energy: -166.722
Base-Backbone interact. energy: -0.517
local terms energy: -196.018115
where:
bonds (distance) C4'-P energy: -39.071
bonds (distance) P-C4' energy: -32.171
flat angles C4'-P-C4' energy: -43.241
flat angles P-C4'-P energy: -24.958
tors. eta vs tors. theta energy: -56.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -547.730134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.730134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.730134 (E_RNA)
where:
Base-Base interactions energy: -360.657
where: short stacking energy: -165.280
Base-Backbone interact. energy: -0.941
local terms energy: -186.132816
where:
bonds (distance) C4'-P energy: -33.301
bonds (distance) P-C4' energy: -35.549
flat angles C4'-P-C4' energy: -35.747
flat angles P-C4'-P energy: -30.404
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: 7, replica: 5
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -488.934764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.934764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.934764 (E_RNA)
where:
Base-Base interactions energy: -323.870
where: short stacking energy: -151.452
Base-Backbone interact. energy: -0.223
local terms energy: -164.841973
where:
bonds (distance) C4'-P energy: -39.444
bonds (distance) P-C4' energy: -36.926
flat angles C4'-P-C4' energy: -31.374
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -43.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -240.701337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.701337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.701337 (E_RNA)
where:
Base-Base interactions energy: -109.600
where: short stacking energy: -72.199
Base-Backbone interact. energy: -1.422
local terms energy: -129.679161
where:
bonds (distance) C4'-P energy: -34.693
bonds (distance) P-C4' energy: -29.766
flat angles C4'-P-C4' energy: -35.888
flat angles P-C4'-P energy: -23.232
tors. eta vs tors. theta energy: -6.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -202.003745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.003745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.003745 (E_RNA)
where:
Base-Base interactions energy: -96.471
where: short stacking energy: -50.727
Base-Backbone interact. energy: -0.117
local terms energy: -105.415138
where:
bonds (distance) C4'-P energy: -31.613
bonds (distance) P-C4' energy: -33.548
flat angles C4'-P-C4' energy: -33.329
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: 2.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -157.510929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.510929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.510929 (E_RNA)
where:
Base-Base interactions energy: -53.856
where: short stacking energy: -51.755
Base-Backbone interact. energy: 1.546
local terms energy: -105.201279
where:
bonds (distance) C4'-P energy: -30.511
bonds (distance) P-C4' energy: -34.287
flat angles C4'-P-C4' energy: -24.731
flat angles P-C4'-P energy: -20.990
tors. eta vs tors. theta energy: 5.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -687.377844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.377844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.377844 (E_RNA)
where:
Base-Base interactions energy: -468.290
where: short stacking energy: -200.683
Base-Backbone interact. energy: -0.412
local terms energy: -218.676172
where:
bonds (distance) C4'-P energy: -37.174
bonds (distance) P-C4' energy: -41.589
flat angles C4'-P-C4' energy: -42.635
flat angles P-C4'-P energy: -34.195
tors. eta vs tors. theta energy: -63.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -671.145665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.145665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.145665 (E_RNA)
where:
Base-Base interactions energy: -457.373
where: short stacking energy: -205.674
Base-Backbone interact. energy: 2.667
local terms energy: -216.439593
where:
bonds (distance) C4'-P energy: -41.246
bonds (distance) P-C4' energy: -42.255
flat angles C4'-P-C4' energy: -46.345
flat angles P-C4'-P energy: -26.474
tors. eta vs tors. theta energy: -60.119
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: 3, replica: 9
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -625.318526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.318526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.318526 (E_RNA)
where:
Base-Base interactions energy: -420.116
where: short stacking energy: -183.403
Base-Backbone interact. energy: 0.310
local terms energy: -205.512289
where:
bonds (distance) C4'-P energy: -38.751
bonds (distance) P-C4' energy: -40.086
flat angles C4'-P-C4' energy: -44.641
flat angles P-C4'-P energy: -22.300
tors. eta vs tors. theta energy: -59.734
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: 4, replica: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -571.300977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.300977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.300977 (E_RNA)
where:
Base-Base interactions energy: -381.464
where: short stacking energy: -180.441
Base-Backbone interact. energy: 0.946
local terms energy: -190.782468
where:
bonds (distance) C4'-P energy: -34.929
bonds (distance) P-C4' energy: -38.543
flat angles C4'-P-C4' energy: -38.499
flat angles P-C4'-P energy: -28.830
tors. eta vs tors. theta energy: -49.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -572.712069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.712069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.712069 (E_RNA)
where:
Base-Base interactions energy: -384.297
where: short stacking energy: -166.010
Base-Backbone interact. energy: -0.184
local terms energy: -188.231175
where:
bonds (distance) C4'-P energy: -36.710
bonds (distance) P-C4' energy: -34.355
flat angles C4'-P-C4' energy: -43.355
flat angles P-C4'-P energy: -31.394
tors. eta vs tors. theta energy: -42.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -527.616436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.616436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.616436 (E_RNA)
where:
Base-Base interactions energy: -349.595
where: short stacking energy: -179.486
Base-Backbone interact. energy: -0.453
local terms energy: -177.568704
where:
bonds (distance) C4'-P energy: -28.789
bonds (distance) P-C4' energy: -35.870
flat angles C4'-P-C4' energy: -38.675
flat angles P-C4'-P energy: -25.079
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: 5
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -462.847515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.847515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.847515 (E_RNA)
where:
Base-Base interactions energy: -311.508
where: short stacking energy: -135.502
Base-Backbone interact. energy: 1.639
local terms energy: -152.978372
where:
bonds (distance) C4'-P energy: -24.036
bonds (distance) P-C4' energy: -36.402
flat angles C4'-P-C4' energy: -38.693
flat angles P-C4'-P energy: -22.703
tors. eta vs tors. theta energy: -31.146
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: 8
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -243.805261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.805261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.805261 (E_RNA)
where:
Base-Base interactions energy: -105.780
where: short stacking energy: -60.343
Base-Backbone interact. energy: -0.557
local terms energy: -137.468707
where:
bonds (distance) C4'-P energy: -33.194
bonds (distance) P-C4' energy: -33.220
flat angles C4'-P-C4' energy: -38.094
flat angles P-C4'-P energy: -27.171
tors. eta vs tors. theta energy: -5.790
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: 10
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -187.152111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.152111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.152111 (E_RNA)
where:
Base-Base interactions energy: -68.848
where: short stacking energy: -46.108
Base-Backbone interact. energy: -0.893
local terms energy: -117.411433
where:
bonds (distance) C4'-P energy: -29.611
bonds (distance) P-C4' energy: -32.130
flat angles C4'-P-C4' energy: -36.850
flat angles P-C4'-P energy: -22.430
tors. eta vs tors. theta energy: 3.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -200.141477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.141477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.141477 (E_RNA)
where:
Base-Base interactions energy: -79.462
where: short stacking energy: -45.208
Base-Backbone interact. energy: -1.026
local terms energy: -119.654271
where:
bonds (distance) C4'-P energy: -36.429
bonds (distance) P-C4' energy: -24.433
flat angles C4'-P-C4' energy: -37.310
flat angles P-C4'-P energy: -25.835
tors. eta vs tors. theta energy: 4.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -687.846131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.846131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.846131 (E_RNA)
where:
Base-Base interactions energy: -480.009
where: short stacking energy: -187.111
Base-Backbone interact. energy: -0.465
local terms energy: -207.372983
where:
bonds (distance) C4'-P energy: -41.984
bonds (distance) P-C4' energy: -34.411
flat angles C4'-P-C4' energy: -37.626
flat angles P-C4'-P energy: -32.382
tors. eta vs tors. theta energy: -60.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -658.713718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.713718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.713718 (E_RNA)
where:
Base-Base interactions energy: -455.647
where: short stacking energy: -203.956
Base-Backbone interact. energy: 0.678
local terms energy: -203.744891
where:
bonds (distance) C4'-P energy: -39.121
bonds (distance) P-C4' energy: -39.839
flat angles C4'-P-C4' energy: -39.284
flat angles P-C4'-P energy: -27.502
tors. eta vs tors. theta energy: -57.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -616.486040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.486040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.486040 (E_RNA)
where:
Base-Base interactions energy: -422.463
where: short stacking energy: -179.357
Base-Backbone interact. energy: -0.196
local terms energy: -193.827649
where:
bonds (distance) C4'-P energy: -35.028
bonds (distance) P-C4' energy: -37.002
flat angles C4'-P-C4' energy: -41.503
flat angles P-C4'-P energy: -29.263
tors. eta vs tors. theta energy: -51.032
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: 346
Temperature: 1.050000
Total energy: -588.806735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.806735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.806735 (E_RNA)
where:
Base-Base interactions energy: -388.082
where: short stacking energy: -185.023
Base-Backbone interact. energy: -0.071
local terms energy: -200.653824
where:
bonds (distance) C4'-P energy: -36.245
bonds (distance) P-C4' energy: -35.969
flat angles C4'-P-C4' energy: -39.810
flat angles P-C4'-P energy: -30.356
tors. eta vs tors. theta energy: -58.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -558.009136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.009136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.009136 (E_RNA)
where:
Base-Base interactions energy: -359.384
where: short stacking energy: -165.535
Base-Backbone interact. energy: -0.945
local terms energy: -197.679739
where:
bonds (distance) C4'-P energy: -33.686
bonds (distance) P-C4' energy: -42.586
flat angles C4'-P-C4' energy: -43.627
flat angles P-C4'-P energy: -27.696
tors. eta vs tors. theta energy: -50.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -558.671663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.671663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.671663 (E_RNA)
where:
Base-Base interactions energy: -375.195
where: short stacking energy: -155.895
Base-Backbone interact. energy: -0.253
local terms energy: -183.223277
where:
bonds (distance) C4'-P energy: -35.071
bonds (distance) P-C4' energy: -32.313
flat angles C4'-P-C4' energy: -41.446
flat angles P-C4'-P energy: -23.397
tors. eta vs tors. theta energy: -50.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -484.760932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.760932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.760932 (E_RNA)
where:
Base-Base interactions energy: -309.511
where: short stacking energy: -149.927
Base-Backbone interact. energy: 2.583
local terms energy: -177.833523
where:
bonds (distance) C4'-P energy: -37.472
bonds (distance) P-C4' energy: -32.595
flat angles C4'-P-C4' energy: -38.300
flat angles P-C4'-P energy: -25.656
tors. eta vs tors. theta energy: -43.811
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: 8
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -249.845738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.845738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.845738 (E_RNA)
where:
Base-Base interactions energy: -131.402
where: short stacking energy: -74.652
Base-Backbone interact. energy: 2.305
local terms energy: -120.749082
where:
bonds (distance) C4'-P energy: -39.955
bonds (distance) P-C4' energy: -19.757
flat angles C4'-P-C4' energy: -37.366
flat angles P-C4'-P energy: -19.660
tors. eta vs tors. theta energy: -4.012
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: 6
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -197.969819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.969819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.969819 (E_RNA)
where:
Base-Base interactions energy: -64.400
where: short stacking energy: -56.577
Base-Backbone interact. energy: 2.095
local terms energy: -135.665413
where:
bonds (distance) C4'-P energy: -28.644
bonds (distance) P-C4' energy: -42.241
flat angles C4'-P-C4' energy: -35.350
flat angles P-C4'-P energy: -25.239
tors. eta vs tors. theta energy: -4.192
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: 10
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -171.448587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.448587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.448587 (E_RNA)
where:
Base-Base interactions energy: -39.918
where: short stacking energy: -36.504
Base-Backbone interact. energy: -1.090
local terms energy: -130.440395
where:
bonds (distance) C4'-P energy: -43.061
bonds (distance) P-C4' energy: -30.593
flat angles C4'-P-C4' energy: -38.479
flat angles P-C4'-P energy: -15.715
tors. eta vs tors. theta energy: -2.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -691.596581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.596581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.596581 (E_RNA)
where:
Base-Base interactions energy: -478.646
where: short stacking energy: -198.426
Base-Backbone interact. energy: -1.074
local terms energy: -211.875714
where:
bonds (distance) C4'-P energy: -42.242
bonds (distance) P-C4' energy: -36.992
flat angles C4'-P-C4' energy: -45.037
flat angles P-C4'-P energy: -25.362
tors. eta vs tors. theta energy: -62.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -661.322032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.322032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.322032 (E_RNA)
where:
Base-Base interactions energy: -455.972
where: short stacking energy: -187.961
Base-Backbone interact. energy: -0.727
local terms energy: -204.623353
where:
bonds (distance) C4'-P energy: -38.253
bonds (distance) P-C4' energy: -34.184
flat angles C4'-P-C4' energy: -44.778
flat angles P-C4'-P energy: -31.872
tors. eta vs tors. theta energy: -55.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -618.544849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.544849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.544849 (E_RNA)
where:
Base-Base interactions energy: -417.989
where: short stacking energy: -179.416
Base-Backbone interact. energy: -0.042
local terms energy: -200.513458
where:
bonds (distance) C4'-P energy: -38.490
bonds (distance) P-C4' energy: -39.804
flat angles C4'-P-C4' energy: -35.806
flat angles P-C4'-P energy: -28.899
tors. eta vs tors. theta energy: -57.514
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: 7
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -580.065403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.065403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.065403 (E_RNA)
where:
Base-Base interactions energy: -361.010
where: short stacking energy: -171.081
Base-Backbone interact. energy: -0.728
local terms energy: -218.327283
where:
bonds (distance) C4'-P energy: -38.984
bonds (distance) P-C4' energy: -44.526
flat angles C4'-P-C4' energy: -49.594
flat angles P-C4'-P energy: -30.816
tors. eta vs tors. theta energy: -54.407
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: 2
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -573.016222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.016222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.016222 (E_RNA)
where:
Base-Base interactions energy: -378.834
where: short stacking energy: -176.654
Base-Backbone interact. energy: -0.081
local terms energy: -194.101283
where:
bonds (distance) C4'-P energy: -36.697
bonds (distance) P-C4' energy: -39.513
flat angles C4'-P-C4' energy: -36.368
flat angles P-C4'-P energy: -27.746
tors. eta vs tors. theta energy: -53.777
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: 5
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -500.776530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.776530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.776530 (E_RNA)
where:
Base-Base interactions energy: -331.584
where: short stacking energy: -139.610
Base-Backbone interact. energy: -0.997
local terms energy: -168.196428
where:
bonds (distance) C4'-P energy: -38.219
bonds (distance) P-C4' energy: -29.661
flat angles C4'-P-C4' energy: -37.961
flat angles P-C4'-P energy: -19.309
tors. eta vs tors. theta energy: -43.047
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: 7, replica: 4
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -546.437193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.437193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.437193 (E_RNA)
where:
Base-Base interactions energy: -370.219
where: short stacking energy: -162.936
Base-Backbone interact. energy: -0.460
local terms energy: -175.758175
where:
bonds (distance) C4'-P energy: -32.656
bonds (distance) P-C4' energy: -35.602
flat angles C4'-P-C4' energy: -39.937
flat angles P-C4'-P energy: -17.223
tors. eta vs tors. theta energy: -50.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -237.375333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.375333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.375333 (E_RNA)
where:
Base-Base interactions energy: -109.440
where: short stacking energy: -58.722
Base-Backbone interact. energy: -0.522
local terms energy: -127.413887
where:
bonds (distance) C4'-P energy: -33.134
bonds (distance) P-C4' energy: -37.227
flat angles C4'-P-C4' energy: -33.168
flat angles P-C4'-P energy: -18.710
tors. eta vs tors. theta energy: -5.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -189.129895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.129895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.129895 (E_RNA)
where:
Base-Base interactions energy: -72.584
where: short stacking energy: -65.907
Base-Backbone interact. energy: 0.770
local terms energy: -117.315864
where:
bonds (distance) C4'-P energy: -25.059
bonds (distance) P-C4' energy: -32.730
flat angles C4'-P-C4' energy: -31.702
flat angles P-C4'-P energy: -23.908
tors. eta vs tors. theta energy: -3.917
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: 10, replica: 10
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -170.557651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.557651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.557651 (E_RNA)
where:
Base-Base interactions energy: -60.728
where: short stacking energy: -56.183
Base-Backbone interact. energy: 0.787
local terms energy: -110.616982
where:
bonds (distance) C4'-P energy: -39.064
bonds (distance) P-C4' energy: -40.818
flat angles C4'-P-C4' energy: -21.543
flat angles P-C4'-P energy: -14.569
tors. eta vs tors. theta energy: 5.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -685.783606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.783606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.783606 (E_RNA)
where:
Base-Base interactions energy: -473.040
where: short stacking energy: -192.704
Base-Backbone interact. energy: -0.219
local terms energy: -212.524323
where:
bonds (distance) C4'-P energy: -40.880
bonds (distance) P-C4' energy: -40.064
flat angles C4'-P-C4' energy: -43.728
flat angles P-C4'-P energy: -26.856
tors. eta vs tors. theta energy: -60.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -660.146164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.146164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.146164 (E_RNA)
where:
Base-Base interactions energy: -453.205
where: short stacking energy: -201.866
Base-Backbone interact. energy: 2.527
local terms energy: -209.468758
where:
bonds (distance) C4'-P energy: -38.891
bonds (distance) P-C4' energy: -35.465
flat angles C4'-P-C4' energy: -46.576
flat angles P-C4'-P energy: -32.001
tors. eta vs tors. theta energy: -56.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -617.708822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.708822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.708822 (E_RNA)
where:
Base-Base interactions energy: -402.387
where: short stacking energy: -167.473
Base-Backbone interact. energy: 0.357
local terms energy: -215.679605
where:
bonds (distance) C4'-P energy: -37.538
bonds (distance) P-C4' energy: -44.842
flat angles C4'-P-C4' energy: -44.971
flat angles P-C4'-P energy: -26.334
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: 7
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -570.421679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.421679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.421679 (E_RNA)
where:
Base-Base interactions energy: -357.561
where: short stacking energy: -168.317
Base-Backbone interact. energy: -0.671
local terms energy: -212.190001
where:
bonds (distance) C4'-P energy: -38.795
bonds (distance) P-C4' energy: -43.105
flat angles C4'-P-C4' energy: -42.959
flat angles P-C4'-P energy: -30.774
tors. eta vs tors. theta energy: -56.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -567.931538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.931538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.931538 (E_RNA)
where:
Base-Base interactions energy: -371.425
where: short stacking energy: -170.354
Base-Backbone interact. energy: -0.258
local terms energy: -196.248837
where:
bonds (distance) C4'-P energy: -33.463
bonds (distance) P-C4' energy: -39.788
flat angles C4'-P-C4' energy: -36.236
flat angles P-C4'-P energy: -30.141
tors. eta vs tors. theta energy: -56.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -496.100138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.100138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.100138 (E_RNA)
where:
Base-Base interactions energy: -318.125
where: short stacking energy: -141.247
Base-Backbone interact. energy: -0.422
local terms energy: -177.553619
where:
bonds (distance) C4'-P energy: -38.129
bonds (distance) P-C4' energy: -33.480
flat angles C4'-P-C4' energy: -42.181
flat angles P-C4'-P energy: -25.492
tors. eta vs tors. theta energy: -38.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -547.972731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.972731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.972731 (E_RNA)
where:
Base-Base interactions energy: -376.258
where: short stacking energy: -141.921
Base-Backbone interact. energy: -0.122
local terms energy: -171.592205
where:
bonds (distance) C4'-P energy: -28.062
bonds (distance) P-C4' energy: -21.889
flat angles C4'-P-C4' energy: -44.864
flat angles P-C4'-P energy: -22.532
tors. eta vs tors. theta energy: -54.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -241.398699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.398699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.398699 (E_RNA)
where:
Base-Base interactions energy: -108.694
where: short stacking energy: -63.886
Base-Backbone interact. energy: -0.559
local terms energy: -132.146197
where:
bonds (distance) C4'-P energy: -40.436
bonds (distance) P-C4' energy: -39.143
flat angles C4'-P-C4' energy: -29.852
flat angles P-C4'-P energy: -23.985
tors. eta vs tors. theta energy: 1.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -197.358966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.358966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.358966 (E_RNA)
where:
Base-Base interactions energy: -70.279
where: short stacking energy: -56.424
Base-Backbone interact. energy: -0.474
local terms energy: -126.605581
where:
bonds (distance) C4'-P energy: -36.556
bonds (distance) P-C4' energy: -34.686
flat angles C4'-P-C4' energy: -43.486
flat angles P-C4'-P energy: -16.421
tors. eta vs tors. theta energy: 4.543
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: 6
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -171.695991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.695991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.695991 (E_RNA)
where:
Base-Base interactions energy: -55.504
where: short stacking energy: -55.116
Base-Backbone interact. energy: -0.722
local terms energy: -115.470018
where:
bonds (distance) C4'-P energy: -30.419
bonds (distance) P-C4' energy: -37.855
flat angles C4'-P-C4' energy: -36.960
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: 5.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -677.575892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.575892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.575892 (E_RNA)
where:
Base-Base interactions energy: -450.598
where: short stacking energy: -186.686
Base-Backbone interact. energy: -1.207
local terms energy: -225.771354
where:
bonds (distance) C4'-P energy: -42.033
bonds (distance) P-C4' energy: -44.852
flat angles C4'-P-C4' energy: -48.465
flat angles P-C4'-P energy: -31.226
tors. eta vs tors. theta energy: -59.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -666.444045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.444045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.444045 (E_RNA)
where:
Base-Base interactions energy: -466.695
where: short stacking energy: -197.064
Base-Backbone interact. energy: -0.130
local terms energy: -199.619273
where:
bonds (distance) C4'-P energy: -36.186
bonds (distance) P-C4' energy: -34.449
flat angles C4'-P-C4' energy: -41.693
flat angles P-C4'-P energy: -30.382
tors. eta vs tors. theta energy: -56.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -616.470171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.470171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.470171 (E_RNA)
where:
Base-Base interactions energy: -415.187
where: short stacking energy: -175.624
Base-Backbone interact. energy: -0.217
local terms energy: -201.066577
where:
bonds (distance) C4'-P energy: -35.934
bonds (distance) P-C4' energy: -41.486
flat angles C4'-P-C4' energy: -41.732
flat angles P-C4'-P energy: -26.553
tors. eta vs tors. theta energy: -55.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -576.545847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.545847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.545847 (E_RNA)
where:
Base-Base interactions energy: -383.294
where: short stacking energy: -171.138
Base-Backbone interact. energy: 1.120
local terms energy: -194.371780
where:
bonds (distance) C4'-P energy: -37.594
bonds (distance) P-C4' energy: -40.751
flat angles C4'-P-C4' energy: -38.785
flat angles P-C4'-P energy: -26.326
tors. eta vs tors. theta energy: -50.916
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: 349
Temperature: 1.100000
Total energy: -556.835460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.835460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.835460 (E_RNA)
where:
Base-Base interactions energy: -353.541
where: short stacking energy: -167.321
Base-Backbone interact. energy: -0.041
local terms energy: -203.253796
where:
bonds (distance) C4'-P energy: -42.758
bonds (distance) P-C4' energy: -32.249
flat angles C4'-P-C4' energy: -41.737
flat angles P-C4'-P energy: -31.872
tors. eta vs tors. theta energy: -54.639
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: 349
Temperature: 1.150000
Total energy: -560.132986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.132986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.132986 (E_RNA)
where:
Base-Base interactions energy: -373.984
where: short stacking energy: -153.135
Base-Backbone interact. energy: 1.331
local terms energy: -187.479932
where:
bonds (distance) C4'-P energy: -40.344
bonds (distance) P-C4' energy: -36.470
flat angles C4'-P-C4' energy: -38.347
flat angles P-C4'-P energy: -24.230
tors. eta vs tors. theta energy: -48.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -461.537182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.537182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.537182 (E_RNA)
where:
Base-Base interactions energy: -298.620
where: short stacking energy: -136.031
Base-Backbone interact. energy: -0.356
local terms energy: -162.560408
where:
bonds (distance) C4'-P energy: -34.156
bonds (distance) P-C4' energy: -32.637
flat angles C4'-P-C4' energy: -41.707
flat angles P-C4'-P energy: -19.078
tors. eta vs tors. theta energy: -34.983
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: 8, replica: 10
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -203.884520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.884520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.884520 (E_RNA)
where:
Base-Base interactions energy: -72.954
where: short stacking energy: -60.384
Base-Backbone interact. energy: 0.442
local terms energy: -131.372743
where:
bonds (distance) C4'-P energy: -34.621
bonds (distance) P-C4' energy: -39.620
flat angles C4'-P-C4' energy: -35.385
flat angles P-C4'-P energy: -20.620
tors. eta vs tors. theta energy: -1.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -188.242192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.242192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.242192 (E_RNA)
where:
Base-Base interactions energy: -66.634
where: short stacking energy: -61.592
Base-Backbone interact. energy: 0.403
local terms energy: -122.010870
where:
bonds (distance) C4'-P energy: -32.753
bonds (distance) P-C4' energy: -36.116
flat angles C4'-P-C4' energy: -31.636
flat angles P-C4'-P energy: -18.549
tors. eta vs tors. theta energy: -2.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -165.313560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.313560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.313560 (E_RNA)
where:
Base-Base interactions energy: -39.076
where: short stacking energy: -30.485
Base-Backbone interact. energy: -0.421
local terms energy: -125.816721
where:
bonds (distance) C4'-P energy: -34.018
bonds (distance) P-C4' energy: -32.559
flat angles C4'-P-C4' energy: -36.087
flat angles P-C4'-P energy: -21.868
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: 1, replica: 3
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -675.401391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.401391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.401391 (E_RNA)
where:
Base-Base interactions energy: -473.068
where: short stacking energy: -183.935
Base-Backbone interact. energy: -0.961
local terms energy: -201.373125
where:
bonds (distance) C4'-P energy: -35.456
bonds (distance) P-C4' energy: -38.281
flat angles C4'-P-C4' energy: -41.810
flat angles P-C4'-P energy: -24.010
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: 2, replica: 1
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -657.577685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.577685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.577685 (E_RNA)
where:
Base-Base interactions energy: -459.310
where: short stacking energy: -209.301
Base-Backbone interact. energy: 2.460
local terms energy: -200.727675
where:
bonds (distance) C4'-P energy: -31.671
bonds (distance) P-C4' energy: -31.319
flat angles C4'-P-C4' energy: -45.905
flat angles P-C4'-P energy: -34.093
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: 7
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -573.079517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.079517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.079517 (E_RNA)
where:
Base-Base interactions energy: -371.795
where: short stacking energy: -168.989
Base-Backbone interact. energy: -0.118
local terms energy: -201.166462
where:
bonds (distance) C4'-P energy: -38.427
bonds (distance) P-C4' energy: -44.038
flat angles C4'-P-C4' energy: -42.822
flat angles P-C4'-P energy: -24.302
tors. eta vs tors. theta energy: -51.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -609.926425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.926425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.926425 (E_RNA)
where:
Base-Base interactions energy: -405.556
where: short stacking energy: -165.265
Base-Backbone interact. energy: -0.163
local terms energy: -204.207043
where:
bonds (distance) C4'-P energy: -37.741
bonds (distance) P-C4' energy: -39.732
flat angles C4'-P-C4' energy: -44.338
flat angles P-C4'-P energy: -29.927
tors. eta vs tors. theta energy: -52.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -574.857931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.857931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.857931 (E_RNA)
where:
Base-Base interactions energy: -382.167
where: short stacking energy: -158.517
Base-Backbone interact. energy: -0.071
local terms energy: -192.620428
where:
bonds (distance) C4'-P energy: -31.666
bonds (distance) P-C4' energy: -38.368
flat angles C4'-P-C4' energy: -41.371
flat angles P-C4'-P energy: -31.019
tors. eta vs tors. theta energy: -50.196
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: 2
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -531.981245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.981245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.981245 (E_RNA)
where:
Base-Base interactions energy: -352.777
where: short stacking energy: -168.724
Base-Backbone interact. energy: 0.348
local terms energy: -179.552151
where:
bonds (distance) C4'-P energy: -40.534
bonds (distance) P-C4' energy: -38.139
flat angles C4'-P-C4' energy: -35.896
flat angles P-C4'-P energy: -20.231
tors. eta vs tors. theta energy: -44.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -437.055730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.055730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.055730 (E_RNA)
where:
Base-Base interactions energy: -298.272
where: short stacking energy: -138.994
Base-Backbone interact. energy: -0.120
local terms energy: -138.664135
where:
bonds (distance) C4'-P energy: -26.240
bonds (distance) P-C4' energy: -33.176
flat angles C4'-P-C4' energy: -31.624
flat angles P-C4'-P energy: -14.954
tors. eta vs tors. theta energy: -32.671
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: 350
Temperature: 1.250000
Total energy: -204.252625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.252625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.252625 (E_RNA)
where:
Base-Base interactions energy: -83.496
where: short stacking energy: -54.571
Base-Backbone interact. energy: 0.723
local terms energy: -121.479668
where:
bonds (distance) C4'-P energy: -30.822
bonds (distance) P-C4' energy: -32.908
flat angles C4'-P-C4' energy: -30.367
flat angles P-C4'-P energy: -19.489
tors. eta vs tors. theta energy: -7.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -212.968987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.968987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.968987 (E_RNA)
where:
Base-Base interactions energy: -75.347
where: short stacking energy: -75.042
Base-Backbone interact. energy: -0.218
local terms energy: -137.403812
where:
bonds (distance) C4'-P energy: -27.374
bonds (distance) P-C4' energy: -42.392
flat angles C4'-P-C4' energy: -31.727
flat angles P-C4'-P energy: -20.825
tors. eta vs tors. theta energy: -15.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -162.885830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.885830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.885830 (E_RNA)
where:
Base-Base interactions energy: -49.412
where: short stacking energy: -31.059
Base-Backbone interact. energy: -0.496
local terms energy: -112.978217
where:
bonds (distance) C4'-P energy: -25.988
bonds (distance) P-C4' energy: -39.174
flat angles C4'-P-C4' energy: -33.996
flat angles P-C4'-P energy: -17.885
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: 1, replica: 3
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -684.577502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.577502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.577502 (E_RNA)
where:
Base-Base interactions energy: -466.047
where: short stacking energy: -180.453
Base-Backbone interact. energy: -0.945
local terms energy: -217.585148
where:
bonds (distance) C4'-P energy: -43.531
bonds (distance) P-C4' energy: -40.897
flat angles C4'-P-C4' energy: -50.415
flat angles P-C4'-P energy: -26.348
tors. eta vs tors. theta energy: -56.394
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: 2, replica: 1
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -656.577372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.577372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.577372 (E_RNA)
where:
Base-Base interactions energy: -453.290
where: short stacking energy: -176.258
Base-Backbone interact. energy: 0.202
local terms energy: -203.489039
where:
bonds (distance) C4'-P energy: -40.261
bonds (distance) P-C4' energy: -40.415
flat angles C4'-P-C4' energy: -47.219
flat angles P-C4'-P energy: -25.253
tors. eta vs tors. theta energy: -50.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -577.786962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.786962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.786962 (E_RNA)
where:
Base-Base interactions energy: -366.102
where: short stacking energy: -178.580
Base-Backbone interact. energy: -0.190
local terms energy: -211.494807
where:
bonds (distance) C4'-P energy: -38.006
bonds (distance) P-C4' energy: -39.762
flat angles C4'-P-C4' energy: -48.092
flat angles P-C4'-P energy: -31.190
tors. eta vs tors. theta energy: -54.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -597.731897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.731897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.731897 (E_RNA)
where:
Base-Base interactions energy: -399.818
where: short stacking energy: -168.565
Base-Backbone interact. energy: -0.129
local terms energy: -197.785335
where:
bonds (distance) C4'-P energy: -47.326
bonds (distance) P-C4' energy: -44.715
flat angles C4'-P-C4' energy: -41.480
flat angles P-C4'-P energy: -11.599
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: 4
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -581.077520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.077520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.077520 (E_RNA)
where:
Base-Base interactions energy: -391.396
where: short stacking energy: -171.739
Base-Backbone interact. energy: -0.478
local terms energy: -189.204007
where:
bonds (distance) C4'-P energy: -34.127
bonds (distance) P-C4' energy: -33.365
flat angles C4'-P-C4' energy: -39.650
flat angles P-C4'-P energy: -30.697
tors. eta vs tors. theta energy: -51.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -523.896909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.896909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.896909 (E_RNA)
where:
Base-Base interactions energy: -335.939
where: short stacking energy: -161.163
Base-Backbone interact. energy: -0.671
local terms energy: -187.286611
where:
bonds (distance) C4'-P energy: -31.364
bonds (distance) P-C4' energy: -42.785
flat angles C4'-P-C4' energy: -40.958
flat angles P-C4'-P energy: -19.406
tors. eta vs tors. theta energy: -52.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -480.132639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.132639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.132639 (E_RNA)
where:
Base-Base interactions energy: -318.357
where: short stacking energy: -139.052
Base-Backbone interact. energy: -0.752
local terms energy: -161.023783
where:
bonds (distance) C4'-P energy: -27.320
bonds (distance) P-C4' energy: -31.466
flat angles C4'-P-C4' energy: -36.502
flat angles P-C4'-P energy: -28.971
tors. eta vs tors. theta energy: -36.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -208.973147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.973147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.973147 (E_RNA)
where:
Base-Base interactions energy: -82.100
where: short stacking energy: -44.482
Base-Backbone interact. energy: 1.346
local terms energy: -128.218799
where:
bonds (distance) C4'-P energy: -37.037
bonds (distance) P-C4' energy: -33.345
flat angles C4'-P-C4' energy: -33.578
flat angles P-C4'-P energy: -21.480
tors. eta vs tors. theta energy: -2.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -189.127892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.127892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.127892 (E_RNA)
where:
Base-Base interactions energy: -87.758
where: short stacking energy: -59.559
Base-Backbone interact. energy: -0.149
local terms energy: -101.221354
where:
bonds (distance) C4'-P energy: -39.190
bonds (distance) P-C4' energy: -28.308
flat angles C4'-P-C4' energy: -26.872
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: 5.258
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: 10, replica: 8
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -192.367525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.367525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.367525 (E_RNA)
where:
Base-Base interactions energy: -70.688
where: short stacking energy: -54.198
Base-Backbone interact. energy: -0.695
local terms energy: -120.984192
where:
bonds (distance) C4'-P energy: -22.870
bonds (distance) P-C4' energy: -38.617
flat angles C4'-P-C4' energy: -32.982
flat angles P-C4'-P energy: -15.348
tors. eta vs tors. theta energy: -11.167
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: 352
Temperature: 0.900000
Total energy: -687.989778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.989778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.989778 (E_RNA)
where:
Base-Base interactions energy: -470.604
where: short stacking energy: -187.022
Base-Backbone interact. energy: -1.282
local terms energy: -216.103210
where:
bonds (distance) C4'-P energy: -38.591
bonds (distance) P-C4' energy: -42.754
flat angles C4'-P-C4' energy: -46.222
flat angles P-C4'-P energy: -28.783
tors. eta vs tors. theta energy: -59.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -659.183586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.183586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.183586 (E_RNA)
where:
Base-Base interactions energy: -447.450
where: short stacking energy: -197.611
Base-Backbone interact. energy: 2.783
local terms energy: -214.516684
where:
bonds (distance) C4'-P energy: -36.233
bonds (distance) P-C4' energy: -43.460
flat angles C4'-P-C4' energy: -43.457
flat angles P-C4'-P energy: -32.771
tors. eta vs tors. theta energy: -58.596
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: 3, replica: 9
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -604.394140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.394140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.394140 (E_RNA)
where:
Base-Base interactions energy: -395.996
where: short stacking energy: -164.444
Base-Backbone interact. energy: -0.625
local terms energy: -207.772677
where:
bonds (distance) C4'-P energy: -27.019
bonds (distance) P-C4' energy: -48.257
flat angles C4'-P-C4' energy: -46.007
flat angles P-C4'-P energy: -29.953
tors. eta vs tors. theta energy: -56.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -576.806164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.806164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.806164 (E_RNA)
where:
Base-Base interactions energy: -372.652
where: short stacking energy: -172.004
Base-Backbone interact. energy: -1.073
local terms energy: -203.081675
where:
bonds (distance) C4'-P energy: -30.909
bonds (distance) P-C4' energy: -44.574
flat angles C4'-P-C4' energy: -44.643
flat angles P-C4'-P energy: -31.649
tors. eta vs tors. theta energy: -51.307
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: 4
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -582.135024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.135024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.135024 (E_RNA)
where:
Base-Base interactions energy: -383.126
where: short stacking energy: -162.525
Base-Backbone interact. energy: -0.987
local terms energy: -198.022387
where:
bonds (distance) C4'-P energy: -33.627
bonds (distance) P-C4' energy: -39.362
flat angles C4'-P-C4' energy: -41.869
flat angles P-C4'-P energy: -36.031
tors. eta vs tors. theta energy: -47.133
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: 2
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -524.187444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.187444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.187444 (E_RNA)
where:
Base-Base interactions energy: -345.507
where: short stacking energy: -160.600
Base-Backbone interact. energy: -0.779
local terms energy: -177.901125
where:
bonds (distance) C4'-P energy: -38.995
bonds (distance) P-C4' energy: -36.281
flat angles C4'-P-C4' energy: -38.768
flat angles P-C4'-P energy: -21.177
tors. eta vs tors. theta energy: -42.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -474.235696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.235696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.235696 (E_RNA)
where:
Base-Base interactions energy: -306.541
where: short stacking energy: -135.509
Base-Backbone interact. energy: -0.658
local terms energy: -167.035976
where:
bonds (distance) C4'-P energy: -34.958
bonds (distance) P-C4' energy: -31.971
flat angles C4'-P-C4' energy: -40.796
flat angles P-C4'-P energy: -23.480
tors. eta vs tors. theta energy: -35.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -197.452208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.452208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.452208 (E_RNA)
where:
Base-Base interactions energy: -76.042
where: short stacking energy: -52.328
Base-Backbone interact. energy: -0.361
local terms energy: -121.048731
where:
bonds (distance) C4'-P energy: -37.233
bonds (distance) P-C4' energy: -29.929
flat angles C4'-P-C4' energy: -32.350
flat angles P-C4'-P energy: -25.100
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: 9, replica: 8
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -178.136360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.136360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.136360 (E_RNA)
where:
Base-Base interactions energy: -60.129
where: short stacking energy: -51.140
Base-Backbone interact. energy: 1.506
local terms energy: -119.513206
where:
bonds (distance) C4'-P energy: -34.050
bonds (distance) P-C4' energy: -36.092
flat angles C4'-P-C4' energy: -28.719
flat angles P-C4'-P energy: -23.101
tors. eta vs tors. theta energy: 2.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -166.611555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.611555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.611555 (E_RNA)
where:
Base-Base interactions energy: -46.935
where: short stacking energy: -35.515
Base-Backbone interact. energy: -0.137
local terms energy: -119.538900
where:
bonds (distance) C4'-P energy: -29.357
bonds (distance) P-C4' energy: -49.014
flat angles C4'-P-C4' energy: -36.716
flat angles P-C4'-P energy: -4.754
tors. eta vs tors. theta energy: 0.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -706.194810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.194810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.194810 (E_RNA)
where:
Base-Base interactions energy: -484.632
where: short stacking energy: -195.292
Base-Backbone interact. energy: -0.382
local terms energy: -221.180471
where:
bonds (distance) C4'-P energy: -36.174
bonds (distance) P-C4' energy: -44.837
flat angles C4'-P-C4' energy: -46.067
flat angles P-C4'-P energy: -33.777
tors. eta vs tors. theta energy: -60.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -659.889991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.889991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.889991 (E_RNA)
where:
Base-Base interactions energy: -450.866
where: short stacking energy: -210.374
Base-Backbone interact. energy: 0.927
local terms energy: -209.950801
where:
bonds (distance) C4'-P energy: -34.297
bonds (distance) P-C4' energy: -38.969
flat angles C4'-P-C4' energy: -43.298
flat angles P-C4'-P energy: -28.689
tors. eta vs tors. theta energy: -64.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -612.282195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.282195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.282195 (E_RNA)
where:
Base-Base interactions energy: -411.720
where: short stacking energy: -175.035
Base-Backbone interact. energy: -0.277
local terms energy: -200.285997
where:
bonds (distance) C4'-P energy: -34.566
bonds (distance) P-C4' energy: -37.250
flat angles C4'-P-C4' energy: -38.072
flat angles P-C4'-P energy: -32.374
tors. eta vs tors. theta energy: -58.024
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: 4
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -587.805114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.805114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.805114 (E_RNA)
where:
Base-Base interactions energy: -391.046
where: short stacking energy: -160.623
Base-Backbone interact. energy: -0.492
local terms energy: -196.266297
where:
bonds (distance) C4'-P energy: -37.538
bonds (distance) P-C4' energy: -35.863
flat angles C4'-P-C4' energy: -52.016
flat angles P-C4'-P energy: -27.785
tors. eta vs tors. theta energy: -43.064
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: 7
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -539.205892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.205892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.205892 (E_RNA)
where:
Base-Base interactions energy: -353.210
where: short stacking energy: -162.050
Base-Backbone interact. energy: 2.122
local terms energy: -188.118095
where:
bonds (distance) C4'-P energy: -33.774
bonds (distance) P-C4' energy: -41.811
flat angles C4'-P-C4' energy: -34.592
flat angles P-C4'-P energy: -23.612
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: 6, replica: 2
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -551.879899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.879899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.879899 (E_RNA)
where:
Base-Base interactions energy: -364.817
where: short stacking energy: -167.913
Base-Backbone interact. energy: 1.544
local terms energy: -188.607238
where:
bonds (distance) C4'-P energy: -37.408
bonds (distance) P-C4' energy: -36.181
flat angles C4'-P-C4' energy: -39.954
flat angles P-C4'-P energy: -25.792
tors. eta vs tors. theta energy: -49.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -461.917826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.917826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.917826 (E_RNA)
where:
Base-Base interactions energy: -284.562
where: short stacking energy: -109.402
Base-Backbone interact. energy: -0.704
local terms energy: -176.651734
where:
bonds (distance) C4'-P energy: -42.947
bonds (distance) P-C4' energy: -48.773
flat angles C4'-P-C4' energy: -32.467
flat angles P-C4'-P energy: -27.870
tors. eta vs tors. theta energy: -24.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -196.458238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.458238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.458238 (E_RNA)
where:
Base-Base interactions energy: -60.006
where: short stacking energy: -57.330
Base-Backbone interact. energy: -0.164
local terms energy: -136.288401
where:
bonds (distance) C4'-P energy: -41.292
bonds (distance) P-C4' energy: -38.429
flat angles C4'-P-C4' energy: -33.679
flat angles P-C4'-P energy: -18.829
tors. eta vs tors. theta energy: -4.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -197.876015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.876015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.876015 (E_RNA)
where:
Base-Base interactions energy: -71.199
where: short stacking energy: -62.720
Base-Backbone interact. energy: -0.779
local terms energy: -125.897727
where:
bonds (distance) C4'-P energy: -30.702
bonds (distance) P-C4' energy: -31.757
flat angles C4'-P-C4' energy: -33.775
flat angles P-C4'-P energy: -24.532
tors. eta vs tors. theta energy: -5.131
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: 10
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -163.587788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.587788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.587788 (E_RNA)
where:
Base-Base interactions energy: -48.039
where: short stacking energy: -43.002
Base-Backbone interact. energy: -0.337
local terms energy: -115.211962
where:
bonds (distance) C4'-P energy: -37.300
bonds (distance) P-C4' energy: -31.396
flat angles C4'-P-C4' energy: -29.813
flat angles P-C4'-P energy: -13.950
tors. eta vs tors. theta energy: -2.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -680.010587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.010587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.010587 (E_RNA)
where:
Base-Base interactions energy: -469.922
where: short stacking energy: -188.944
Base-Backbone interact. energy: -0.212
local terms energy: -209.876334
where:
bonds (distance) C4'-P energy: -38.476
bonds (distance) P-C4' energy: -47.510
flat angles C4'-P-C4' energy: -41.832
flat angles P-C4'-P energy: -25.144
tors. eta vs tors. theta energy: -56.914
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: 2, replica: 1
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -655.893613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.893613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.893613 (E_RNA)
where:
Base-Base interactions energy: -446.370
where: short stacking energy: -206.703
Base-Backbone interact. energy: -0.566
local terms energy: -208.958370
where:
bonds (distance) C4'-P energy: -35.416
bonds (distance) P-C4' energy: -35.581
flat angles C4'-P-C4' energy: -47.005
flat angles P-C4'-P energy: -28.126
tors. eta vs tors. theta energy: -62.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -630.713128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.713128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.713128 (E_RNA)
where:
Base-Base interactions energy: -427.784
where: short stacking energy: -170.081
Base-Backbone interact. energy: -0.374
local terms energy: -202.555136
where:
bonds (distance) C4'-P energy: -39.715
bonds (distance) P-C4' energy: -44.575
flat angles C4'-P-C4' energy: -39.214
flat angles P-C4'-P energy: -23.002
tors. eta vs tors. theta energy: -56.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -591.793725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.793725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.793725 (E_RNA)
where:
Base-Base interactions energy: -390.211
where: short stacking energy: -157.652
Base-Backbone interact. energy: -0.124
local terms energy: -201.458910
where:
bonds (distance) C4'-P energy: -39.474
bonds (distance) P-C4' energy: -40.165
flat angles C4'-P-C4' energy: -40.574
flat angles P-C4'-P energy: -31.539
tors. eta vs tors. theta energy: -49.706
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: 2
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -547.110599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.110599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.110599 (E_RNA)
where:
Base-Base interactions energy: -359.223
where: short stacking energy: -171.584
Base-Backbone interact. energy: -0.245
local terms energy: -187.642869
where:
bonds (distance) C4'-P energy: -33.751
bonds (distance) P-C4' energy: -30.359
flat angles C4'-P-C4' energy: -41.291
flat angles P-C4'-P energy: -28.449
tors. eta vs tors. theta energy: -53.793
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: 6, replica: 7
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -526.192685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.192685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.192685 (E_RNA)
where:
Base-Base interactions energy: -363.608
where: short stacking energy: -168.340
Base-Backbone interact. energy: -0.192
local terms energy: -162.393152
where:
bonds (distance) C4'-P energy: -27.786
bonds (distance) P-C4' energy: -30.178
flat angles C4'-P-C4' energy: -40.992
flat angles P-C4'-P energy: -19.074
tors. eta vs tors. theta energy: -44.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -473.640314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.640314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.640314 (E_RNA)
where:
Base-Base interactions energy: -313.864
where: short stacking energy: -131.690
Base-Backbone interact. energy: 0.779
local terms energy: -160.554498
where:
bonds (distance) C4'-P energy: -33.280
bonds (distance) P-C4' energy: -38.491
flat angles C4'-P-C4' energy: -41.447
flat angles P-C4'-P energy: -16.287
tors. eta vs tors. theta energy: -31.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -202.251178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.251178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.251178 (E_RNA)
where:
Base-Base interactions energy: -87.125
where: short stacking energy: -60.995
Base-Backbone interact. energy: 0.294
local terms energy: -115.419457
where:
bonds (distance) C4'-P energy: -26.268
bonds (distance) P-C4' energy: -28.211
flat angles C4'-P-C4' energy: -31.340
flat angles P-C4'-P energy: -22.756
tors. eta vs tors. theta energy: -6.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -187.332758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.332758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.332758 (E_RNA)
where:
Base-Base interactions energy: -75.906
where: short stacking energy: -71.236
Base-Backbone interact. energy: -0.356
local terms energy: -111.070614
where:
bonds (distance) C4'-P energy: -38.136
bonds (distance) P-C4' energy: -34.821
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -19.852
tors. eta vs tors. theta energy: -2.356
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: 10
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -179.666280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.666280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.666280 (E_RNA)
where:
Base-Base interactions energy: -64.665
where: short stacking energy: -59.010
Base-Backbone interact. energy: 0.544
local terms energy: -115.545391
where:
bonds (distance) C4'-P energy: -34.289
bonds (distance) P-C4' energy: -39.006
flat angles C4'-P-C4' energy: -38.375
flat angles P-C4'-P energy: -2.242
tors. eta vs tors. theta energy: -1.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -691.873764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.873764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.873764 (E_RNA)
where:
Base-Base interactions energy: -465.237
where: short stacking energy: -192.014
Base-Backbone interact. energy: -0.600
local terms energy: -226.036704
where:
bonds (distance) C4'-P energy: -44.721
bonds (distance) P-C4' energy: -43.067
flat angles C4'-P-C4' energy: -41.960
flat angles P-C4'-P energy: -32.652
tors. eta vs tors. theta energy: -63.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -651.511707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.511707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.511707 (E_RNA)
where:
Base-Base interactions energy: -439.466
where: short stacking energy: -185.967
Base-Backbone interact. energy: -0.583
local terms energy: -211.462884
where:
bonds (distance) C4'-P energy: -43.554
bonds (distance) P-C4' energy: -42.052
flat angles C4'-P-C4' energy: -42.478
flat angles P-C4'-P energy: -27.125
tors. eta vs tors. theta energy: -56.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -659.305979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.305979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.305979 (E_RNA)
where:
Base-Base interactions energy: -448.705
where: short stacking energy: -197.364
Base-Backbone interact. energy: -1.074
local terms energy: -209.526394
where:
bonds (distance) C4'-P energy: -28.570
bonds (distance) P-C4' energy: -38.388
flat angles C4'-P-C4' energy: -47.735
flat angles P-C4'-P energy: -33.385
tors. eta vs tors. theta energy: -61.447
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: 9
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -606.303028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.303028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.303028 (E_RNA)
where:
Base-Base interactions energy: -406.056
where: short stacking energy: -175.411
Base-Backbone interact. energy: -0.150
local terms energy: -200.096424
where:
bonds (distance) C4'-P energy: -35.554
bonds (distance) P-C4' energy: -39.321
flat angles C4'-P-C4' energy: -41.389
flat angles P-C4'-P energy: -24.470
tors. eta vs tors. theta energy: -59.363
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: 2
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -555.245728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.245728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.245728 (E_RNA)
where:
Base-Base interactions energy: -376.246
where: short stacking energy: -176.637
Base-Backbone interact. energy: -0.532
local terms energy: -178.467799
where:
bonds (distance) C4'-P energy: -32.574
bonds (distance) P-C4' energy: -38.757
flat angles C4'-P-C4' energy: -39.682
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -51.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -520.893077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.893077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.893077 (E_RNA)
where:
Base-Base interactions energy: -342.015
where: short stacking energy: -153.452
Base-Backbone interact. energy: 1.507
local terms energy: -180.385023
where:
bonds (distance) C4'-P energy: -30.156
bonds (distance) P-C4' energy: -34.581
flat angles C4'-P-C4' energy: -38.334
flat angles P-C4'-P energy: -32.072
tors. eta vs tors. theta energy: -45.242
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: 7, replica: 5
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -470.284964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.284964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.284964 (E_RNA)
where:
Base-Base interactions energy: -295.897
where: short stacking energy: -131.770
Base-Backbone interact. energy: -0.612
local terms energy: -173.776038
where:
bonds (distance) C4'-P energy: -33.066
bonds (distance) P-C4' energy: -37.042
flat angles C4'-P-C4' energy: -40.637
flat angles P-C4'-P energy: -32.341
tors. eta vs tors. theta energy: -30.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -189.002099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.002099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.002099 (E_RNA)
where:
Base-Base interactions energy: -65.997
where: short stacking energy: -52.798
Base-Backbone interact. energy: 1.357
local terms energy: -124.362863
where:
bonds (distance) C4'-P energy: -31.769
bonds (distance) P-C4' energy: -37.045
flat angles C4'-P-C4' energy: -38.165
flat angles P-C4'-P energy: -17.672
tors. eta vs tors. theta energy: 0.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -179.785343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.785343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.785343 (E_RNA)
where:
Base-Base interactions energy: -65.813
where: short stacking energy: -53.664
Base-Backbone interact. energy: -1.313
local terms energy: -112.659636
where:
bonds (distance) C4'-P energy: -31.048
bonds (distance) P-C4' energy: -30.332
flat angles C4'-P-C4' energy: -27.801
flat angles P-C4'-P energy: -25.749
tors. eta vs tors. theta energy: 2.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -173.571128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.571128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.571128 (E_RNA)
where:
Base-Base interactions energy: -62.302
where: short stacking energy: -49.265
Base-Backbone interact. energy: 2.696
local terms energy: -113.965081
where:
bonds (distance) C4'-P energy: -38.562
bonds (distance) P-C4' energy: -33.878
flat angles C4'-P-C4' energy: -33.767
flat angles P-C4'-P energy: -15.113
tors. eta vs tors. theta energy: 7.354
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: 1, replica: 3
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -681.844993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.844993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.844993 (E_RNA)
where:
Base-Base interactions energy: -458.093
where: short stacking energy: -197.237
Base-Backbone interact. energy: 0.292
local terms energy: -224.044618
where:
bonds (distance) C4'-P energy: -41.239
bonds (distance) P-C4' energy: -41.061
flat angles C4'-P-C4' energy: -46.094
flat angles P-C4'-P energy: -32.685
tors. eta vs tors. theta energy: -62.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -659.073709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.073709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.073709 (E_RNA)
where:
Base-Base interactions energy: -449.774
where: short stacking energy: -185.626
Base-Backbone interact. energy: -0.765
local terms energy: -208.533868
where:
bonds (distance) C4'-P energy: -45.569
bonds (distance) P-C4' energy: -40.703
flat angles C4'-P-C4' energy: -42.454
flat angles P-C4'-P energy: -26.877
tors. eta vs tors. theta energy: -52.931
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: 1
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -646.988111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.988111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.988111 (E_RNA)
where:
Base-Base interactions energy: -442.000
where: short stacking energy: -192.567
Base-Backbone interact. energy: -0.829
local terms energy: -204.158981
where:
bonds (distance) C4'-P energy: -35.562
bonds (distance) P-C4' energy: -41.101
flat angles C4'-P-C4' energy: -42.469
flat angles P-C4'-P energy: -27.187
tors. eta vs tors. theta energy: -57.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -594.964103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.964103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.964103 (E_RNA)
where:
Base-Base interactions energy: -399.834
where: short stacking energy: -173.160
Base-Backbone interact. energy: -0.479
local terms energy: -194.650594
where:
bonds (distance) C4'-P energy: -36.921
bonds (distance) P-C4' energy: -36.184
flat angles C4'-P-C4' energy: -40.934
flat angles P-C4'-P energy: -33.483
tors. eta vs tors. theta energy: -47.129
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: 7
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -519.702298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.702298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.702298 (E_RNA)
where:
Base-Base interactions energy: -338.968
where: short stacking energy: -147.527
Base-Backbone interact. energy: -0.328
local terms energy: -180.405862
where:
bonds (distance) C4'-P energy: -32.352
bonds (distance) P-C4' energy: -38.024
flat angles C4'-P-C4' energy: -37.970
flat angles P-C4'-P energy: -23.372
tors. eta vs tors. theta energy: -48.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -531.543971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.543971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.543971 (E_RNA)
where:
Base-Base interactions energy: -354.339
where: short stacking energy: -170.973
Base-Backbone interact. energy: -0.629
local terms energy: -176.576479
where:
bonds (distance) C4'-P energy: -35.634
bonds (distance) P-C4' energy: -32.008
flat angles C4'-P-C4' energy: -36.389
flat angles P-C4'-P energy: -21.431
tors. eta vs tors. theta energy: -51.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -488.897263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.897263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.897263 (E_RNA)
where:
Base-Base interactions energy: -314.799
where: short stacking energy: -153.845
Base-Backbone interact. energy: -0.539
local terms energy: -173.559333
where:
bonds (distance) C4'-P energy: -38.595
bonds (distance) P-C4' energy: -32.779
flat angles C4'-P-C4' energy: -33.661
flat angles P-C4'-P energy: -23.864
tors. eta vs tors. theta energy: -44.660
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: 6
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -212.191486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.191486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.191486 (E_RNA)
where:
Base-Base interactions energy: -81.939
where: short stacking energy: -81.768
Base-Backbone interact. energy: 0.175
local terms energy: -130.427240
where:
bonds (distance) C4'-P energy: -39.541
bonds (distance) P-C4' energy: -41.878
flat angles C4'-P-C4' energy: -30.049
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -6.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -181.356974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.356974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.356974 (E_RNA)
where:
Base-Base interactions energy: -63.744
where: short stacking energy: -58.481
Base-Backbone interact. energy: 2.046
local terms energy: -119.658179
where:
bonds (distance) C4'-P energy: -35.270
bonds (distance) P-C4' energy: -35.269
flat angles C4'-P-C4' energy: -29.381
flat angles P-C4'-P energy: -17.246
tors. eta vs tors. theta energy: -2.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -164.962422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.962422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.962422 (E_RNA)
where:
Base-Base interactions energy: -56.486
where: short stacking energy: -46.878
Base-Backbone interact. energy: 0.025
local terms energy: -108.501798
where:
bonds (distance) C4'-P energy: -31.009
bonds (distance) P-C4' energy: -33.245
flat angles C4'-P-C4' energy: -32.377
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -1.259
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: 3
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -696.658051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.658051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.658051 (E_RNA)
where:
Base-Base interactions energy: -469.968
where: short stacking energy: -203.507
Base-Backbone interact. energy: -0.798
local terms energy: -225.891981
where:
bonds (distance) C4'-P energy: -45.824
bonds (distance) P-C4' energy: -40.409
flat angles C4'-P-C4' energy: -46.126
flat angles P-C4'-P energy: -28.531
tors. eta vs tors. theta energy: -65.003
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: 1
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -674.870542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.870542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.870542 (E_RNA)
where:
Base-Base interactions energy: -453.641
where: short stacking energy: -200.196
Base-Backbone interact. energy: -0.994
local terms energy: -220.235530
where:
bonds (distance) C4'-P energy: -42.547
bonds (distance) P-C4' energy: -40.987
flat angles C4'-P-C4' energy: -43.944
flat angles P-C4'-P energy: -34.993
tors. eta vs tors. theta energy: -57.764
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: 3, replica: 4
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -648.188987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.188987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.188987 (E_RNA)
where:
Base-Base interactions energy: -452.879
where: short stacking energy: -177.802
Base-Backbone interact. energy: -0.535
local terms energy: -194.774763
where:
bonds (distance) C4'-P energy: -38.251
bonds (distance) P-C4' energy: -32.589
flat angles C4'-P-C4' energy: -44.733
flat angles P-C4'-P energy: -27.088
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: 4, replica: 9
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -608.942122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.942122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.942122 (E_RNA)
where:
Base-Base interactions energy: -406.118
where: short stacking energy: -177.789
Base-Backbone interact. energy: -0.514
local terms energy: -202.310123
where:
bonds (distance) C4'-P energy: -36.456
bonds (distance) P-C4' energy: -37.033
flat angles C4'-P-C4' energy: -42.540
flat angles P-C4'-P energy: -25.797
tors. eta vs tors. theta energy: -60.486
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: 7
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -548.782293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.782293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.782293 (E_RNA)
where:
Base-Base interactions energy: -341.463
where: short stacking energy: -166.503
Base-Backbone interact. energy: -0.297
local terms energy: -207.022566
where:
bonds (distance) C4'-P energy: -39.422
bonds (distance) P-C4' energy: -42.231
flat angles C4'-P-C4' energy: -44.070
flat angles P-C4'-P energy: -33.478
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: 6, replica: 2
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -549.194193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.194193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.194193 (E_RNA)
where:
Base-Base interactions energy: -357.264
where: short stacking energy: -161.910
Base-Backbone interact. energy: -0.118
local terms energy: -191.811560
where:
bonds (distance) C4'-P energy: -33.470
bonds (distance) P-C4' energy: -36.354
flat angles C4'-P-C4' energy: -40.234
flat angles P-C4'-P energy: -27.777
tors. eta vs tors. theta energy: -53.976
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: 5
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -475.520144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.520144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.520144 (E_RNA)
where:
Base-Base interactions energy: -305.478
where: short stacking energy: -141.932
Base-Backbone interact. energy: -0.443
local terms energy: -169.599730
where:
bonds (distance) C4'-P energy: -31.196
bonds (distance) P-C4' energy: -38.263
flat angles C4'-P-C4' energy: -39.715
flat angles P-C4'-P energy: -21.602
tors. eta vs tors. theta energy: -38.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -263.156794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.156794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.156794 (E_RNA)
where:
Base-Base interactions energy: -141.436
where: short stacking energy: -87.977
Base-Backbone interact. energy: 0.228
local terms energy: -121.948826
where:
bonds (distance) C4'-P energy: -26.932
bonds (distance) P-C4' energy: -35.487
flat angles C4'-P-C4' energy: -39.458
flat angles P-C4'-P energy: -21.593
tors. eta vs tors. theta energy: 1.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -180.487530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.487530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.487530 (E_RNA)
where:
Base-Base interactions energy: -79.447
where: short stacking energy: -60.954
Base-Backbone interact. energy: 0.899
local terms energy: -101.939051
where:
bonds (distance) C4'-P energy: -31.214
bonds (distance) P-C4' energy: -37.239
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: -5.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -168.989926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.989926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.989926 (E_RNA)
where:
Base-Base interactions energy: -61.341
where: short stacking energy: -50.236
Base-Backbone interact. energy: 3.056
local terms energy: -110.704728
where:
bonds (distance) C4'-P energy: -31.401
bonds (distance) P-C4' energy: -41.239
flat angles C4'-P-C4' energy: -24.847
flat angles P-C4'-P energy: -19.873
tors. eta vs tors. theta energy: 6.656
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: 1, replica: 3
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -698.353171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.353171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.353171 (E_RNA)
where:
Base-Base interactions energy: -487.233
where: short stacking energy: -209.759
Base-Backbone interact. energy: -0.636
local terms energy: -210.484401
where:
bonds (distance) C4'-P energy: -36.667
bonds (distance) P-C4' energy: -37.944
flat angles C4'-P-C4' energy: -41.802
flat angles P-C4'-P energy: -32.105
tors. eta vs tors. theta energy: -61.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -672.222979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.222979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.222979 (E_RNA)
where:
Base-Base interactions energy: -453.573
where: short stacking energy: -192.972
Base-Backbone interact. energy: 0.278
local terms energy: -218.927692
where:
bonds (distance) C4'-P energy: -38.458
bonds (distance) P-C4' energy: -44.569
flat angles C4'-P-C4' energy: -44.930
flat angles P-C4'-P energy: -33.717
tors. eta vs tors. theta energy: -57.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -635.049935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.049935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.049935 (E_RNA)
where:
Base-Base interactions energy: -452.034
where: short stacking energy: -167.500
Base-Backbone interact. energy: -0.641
local terms energy: -182.374617
where:
bonds (distance) C4'-P energy: -39.573
bonds (distance) P-C4' energy: -37.278
flat angles C4'-P-C4' energy: -37.213
flat angles P-C4'-P energy: -23.241
tors. eta vs tors. theta energy: -45.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -611.290831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.290831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.290831 (E_RNA)
where:
Base-Base interactions energy: -416.873
where: short stacking energy: -189.616
Base-Backbone interact. energy: -0.175
local terms energy: -194.243328
where:
bonds (distance) C4'-P energy: -30.048
bonds (distance) P-C4' energy: -39.252
flat angles C4'-P-C4' energy: -36.341
flat angles P-C4'-P energy: -29.549
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: 5, replica: 7
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -539.758324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.758324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.758324 (E_RNA)
where:
Base-Base interactions energy: -340.416
where: short stacking energy: -168.541
Base-Backbone interact. energy: -0.197
local terms energy: -199.145318
where:
bonds (distance) C4'-P energy: -36.079
bonds (distance) P-C4' energy: -40.279
flat angles C4'-P-C4' energy: -42.023
flat angles P-C4'-P energy: -32.184
tors. eta vs tors. theta energy: -48.580
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: 358
Temperature: 1.150000
Total energy: -528.846885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.846885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.846885 (E_RNA)
where:
Base-Base interactions energy: -341.547
where: short stacking energy: -157.806
Base-Backbone interact. energy: -0.352
local terms energy: -186.947235
where:
bonds (distance) C4'-P energy: -37.323
bonds (distance) P-C4' energy: -42.000
flat angles C4'-P-C4' energy: -35.508
flat angles P-C4'-P energy: -21.766
tors. eta vs tors. theta energy: -50.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -431.652823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.652823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.652823 (E_RNA)
where:
Base-Base interactions energy: -279.195
where: short stacking energy: -123.504
Base-Backbone interact. energy: -1.653
local terms energy: -150.804888
where:
bonds (distance) C4'-P energy: -30.905
bonds (distance) P-C4' energy: -26.817
flat angles C4'-P-C4' energy: -37.742
flat angles P-C4'-P energy: -23.372
tors. eta vs tors. theta energy: -31.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -244.932899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.932899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.932899 (E_RNA)
where:
Base-Base interactions energy: -114.483
where: short stacking energy: -65.020
Base-Backbone interact. energy: -1.404
local terms energy: -129.045894
where:
bonds (distance) C4'-P energy: -37.581
bonds (distance) P-C4' energy: -39.490
flat angles C4'-P-C4' energy: -41.636
flat angles P-C4'-P energy: -16.929
tors. eta vs tors. theta energy: 6.589
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: 8
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -178.577729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.577729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.577729 (E_RNA)
where:
Base-Base interactions energy: -55.329
where: short stacking energy: -32.777
Base-Backbone interact. energy: -1.131
local terms energy: -122.117715
where:
bonds (distance) C4'-P energy: -33.317
bonds (distance) P-C4' energy: -34.714
flat angles C4'-P-C4' energy: -37.240
flat angles P-C4'-P energy: -22.951
tors. eta vs tors. theta energy: 6.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -178.710894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.710894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.710894 (E_RNA)
where:
Base-Base interactions energy: -70.676
where: short stacking energy: -56.972
Base-Backbone interact. energy: -0.706
local terms energy: -107.329214
where:
bonds (distance) C4'-P energy: -34.773
bonds (distance) P-C4' energy: -30.458
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -19.417
tors. eta vs tors. theta energy: -5.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -687.831573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.831573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.831573 (E_RNA)
where:
Base-Base interactions energy: -473.693
where: short stacking energy: -200.238
Base-Backbone interact. energy: -0.929
local terms energy: -213.209069
where:
bonds (distance) C4'-P energy: -36.255
bonds (distance) P-C4' energy: -42.052
flat angles C4'-P-C4' energy: -47.057
flat angles P-C4'-P energy: -23.774
tors. eta vs tors. theta energy: -64.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -669.367919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.367919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.367919 (E_RNA)
where:
Base-Base interactions energy: -455.755
where: short stacking energy: -199.822
Base-Backbone interact. energy: 4.365
local terms energy: -217.977687
where:
bonds (distance) C4'-P energy: -38.181
bonds (distance) P-C4' energy: -39.244
flat angles C4'-P-C4' energy: -43.576
flat angles P-C4'-P energy: -34.501
tors. eta vs tors. theta energy: -62.476
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: 4
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -630.976655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.976655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.976655 (E_RNA)
where:
Base-Base interactions energy: -427.879
where: short stacking energy: -177.840
Base-Backbone interact. energy: -0.305
local terms energy: -202.792619
where:
bonds (distance) C4'-P energy: -42.270
bonds (distance) P-C4' energy: -37.126
flat angles C4'-P-C4' energy: -40.924
flat angles P-C4'-P energy: -26.082
tors. eta vs tors. theta energy: -56.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -603.113881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.113881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.113881 (E_RNA)
where:
Base-Base interactions energy: -425.154
where: short stacking energy: -170.387
Base-Backbone interact. energy: 0.104
local terms energy: -178.063338
where:
bonds (distance) C4'-P energy: -32.541
bonds (distance) P-C4' energy: -30.581
flat angles C4'-P-C4' energy: -37.287
flat angles P-C4'-P energy: -31.290
tors. eta vs tors. theta energy: -46.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -526.148780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.148780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.148780 (E_RNA)
where:
Base-Base interactions energy: -354.307
where: short stacking energy: -164.707
Base-Backbone interact. energy: -0.126
local terms energy: -171.715575
where:
bonds (distance) C4'-P energy: -26.816
bonds (distance) P-C4' energy: -30.904
flat angles C4'-P-C4' energy: -42.829
flat angles P-C4'-P energy: -25.089
tors. eta vs tors. theta energy: -46.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -529.936915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.936915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.936915 (E_RNA)
where:
Base-Base interactions energy: -342.470
where: short stacking energy: -162.651
Base-Backbone interact. energy: 0.123
local terms energy: -187.589764
where:
bonds (distance) C4'-P energy: -32.940
bonds (distance) P-C4' energy: -35.904
flat angles C4'-P-C4' energy: -40.247
flat angles P-C4'-P energy: -31.969
tors. eta vs tors. theta energy: -46.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -434.061357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.061357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.061357 (E_RNA)
where:
Base-Base interactions energy: -293.191
where: short stacking energy: -116.960
Base-Backbone interact. energy: 4.132
local terms energy: -145.002407
where:
bonds (distance) C4'-P energy: -26.350
bonds (distance) P-C4' energy: -25.897
flat angles C4'-P-C4' energy: -39.010
flat angles P-C4'-P energy: -24.661
tors. eta vs tors. theta energy: -29.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -240.323309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.323309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.323309 (E_RNA)
where:
Base-Base interactions energy: -111.972
where: short stacking energy: -68.269
Base-Backbone interact. energy: -0.440
local terms energy: -127.911507
where:
bonds (distance) C4'-P energy: -33.059
bonds (distance) P-C4' energy: -40.316
flat angles C4'-P-C4' energy: -30.306
flat angles P-C4'-P energy: -20.283
tors. eta vs tors. theta energy: -3.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -174.304743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.304743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.304743 (E_RNA)
where:
Base-Base interactions energy: -56.121
where: short stacking energy: -55.703
Base-Backbone interact. energy: -0.629
local terms energy: -117.554624
where:
bonds (distance) C4'-P energy: -22.576
bonds (distance) P-C4' energy: -41.744
flat angles C4'-P-C4' energy: -37.628
flat angles P-C4'-P energy: -15.698
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: 10, replica: 10
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -172.552252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.552252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.552252 (E_RNA)
where:
Base-Base interactions energy: -68.191
where: short stacking energy: -49.740
Base-Backbone interact. energy: -1.564
local terms energy: -102.797295
where:
bonds (distance) C4'-P energy: -36.305
bonds (distance) P-C4' energy: -33.018
flat angles C4'-P-C4' energy: -23.709
flat angles P-C4'-P energy: -21.314
tors. eta vs tors. theta energy: 11.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -687.820837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.820837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.820837 (E_RNA)
where:
Base-Base interactions energy: -467.355
where: short stacking energy: -192.475
Base-Backbone interact. energy: -0.653
local terms energy: -219.812945
where:
bonds (distance) C4'-P energy: -39.312
bonds (distance) P-C4' energy: -40.398
flat angles C4'-P-C4' energy: -43.905
flat angles P-C4'-P energy: -31.940
tors. eta vs tors. theta energy: -64.259
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: 1
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -665.764161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.764161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.764161 (E_RNA)
where:
Base-Base interactions energy: -464.812
where: short stacking energy: -207.359
Base-Backbone interact. energy: -0.387
local terms energy: -200.565242
where:
bonds (distance) C4'-P energy: -30.338
bonds (distance) P-C4' energy: -36.329
flat angles C4'-P-C4' energy: -45.381
flat angles P-C4'-P energy: -30.222
tors. eta vs tors. theta energy: -58.296
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: 360
Temperature: 1.000000
Total energy: -643.163140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.163140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.163140 (E_RNA)
where:
Base-Base interactions energy: -436.856
where: short stacking energy: -187.952
Base-Backbone interact. energy: -1.480
local terms energy: -204.827488
where:
bonds (distance) C4'-P energy: -33.558
bonds (distance) P-C4' energy: -37.139
flat angles C4'-P-C4' energy: -45.583
flat angles P-C4'-P energy: -27.710
tors. eta vs tors. theta energy: -60.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -584.925994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.925994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.925994 (E_RNA)
where:
Base-Base interactions energy: -391.775
where: short stacking energy: -170.818
Base-Backbone interact. energy: -1.118
local terms energy: -192.033514
where:
bonds (distance) C4'-P energy: -39.301
bonds (distance) P-C4' energy: -30.109
flat angles C4'-P-C4' energy: -37.526
flat angles P-C4'-P energy: -29.396
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: 5, replica: 2
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -548.004949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.004949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.004949 (E_RNA)
where:
Base-Base interactions energy: -356.611
where: short stacking energy: -170.733
Base-Backbone interact. energy: -0.405
local terms energy: -190.988951
where:
bonds (distance) C4'-P energy: -38.166
bonds (distance) P-C4' energy: -34.032
flat angles C4'-P-C4' energy: -43.806
flat angles P-C4'-P energy: -26.224
tors. eta vs tors. theta energy: -48.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -525.172727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.172727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.172727 (E_RNA)
where:
Base-Base interactions energy: -343.608
where: short stacking energy: -157.805
Base-Backbone interact. energy: 1.860
local terms energy: -183.425176
where:
bonds (distance) C4'-P energy: -30.568
bonds (distance) P-C4' energy: -39.946
flat angles C4'-P-C4' energy: -40.447
flat angles P-C4'-P energy: -29.671
tors. eta vs tors. theta energy: -42.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -446.962047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.962047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.962047 (E_RNA)
where:
Base-Base interactions energy: -285.110
where: short stacking energy: -123.457
Base-Backbone interact. energy: -0.252
local terms energy: -161.600249
where:
bonds (distance) C4'-P energy: -24.212
bonds (distance) P-C4' energy: -39.638
flat angles C4'-P-C4' energy: -43.596
flat angles P-C4'-P energy: -21.595
tors. eta vs tors. theta energy: -32.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -243.008830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.008830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.008830 (E_RNA)
where:
Base-Base interactions energy: -102.405
where: short stacking energy: -54.351
Base-Backbone interact. energy: -1.733
local terms energy: -138.870760
where:
bonds (distance) C4'-P energy: -36.278
bonds (distance) P-C4' energy: -44.249
flat angles C4'-P-C4' energy: -34.253
flat angles P-C4'-P energy: -22.691
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: 10
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -193.637024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.637024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.637024 (E_RNA)
where:
Base-Base interactions energy: -51.230
where: short stacking energy: -45.346
Base-Backbone interact. energy: 1.046
local terms energy: -143.452895
where:
bonds (distance) C4'-P energy: -42.204
bonds (distance) P-C4' energy: -47.526
flat angles C4'-P-C4' energy: -31.348
flat angles P-C4'-P energy: -21.239
tors. eta vs tors. theta energy: -1.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -184.379902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.379902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.379902 (E_RNA)
where:
Base-Base interactions energy: -70.423
where: short stacking energy: -61.395
Base-Backbone interact. energy: 5.772
local terms energy: -119.729387
where:
bonds (distance) C4'-P energy: -37.832
bonds (distance) P-C4' energy: -37.924
flat angles C4'-P-C4' energy: -32.358
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: 0.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -687.501228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.501228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.501228 (E_RNA)
where:
Base-Base interactions energy: -473.018
where: short stacking energy: -199.784
Base-Backbone interact. energy: -0.278
local terms energy: -214.204815
where:
bonds (distance) C4'-P energy: -35.463
bonds (distance) P-C4' energy: -33.141
flat angles C4'-P-C4' energy: -48.296
flat angles P-C4'-P energy: -33.834
tors. eta vs tors. theta energy: -63.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -670.848223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.848223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.848223 (E_RNA)
where:
Base-Base interactions energy: -459.564
where: short stacking energy: -199.032
Base-Backbone interact. energy: -1.259
local terms energy: -210.025055
where:
bonds (distance) C4'-P energy: -38.079
bonds (distance) P-C4' energy: -40.534
flat angles C4'-P-C4' energy: -44.756
flat angles P-C4'-P energy: -26.748
tors. eta vs tors. theta energy: -59.908
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: 3, replica: 4
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -636.622765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.622765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.622765 (E_RNA)
where:
Base-Base interactions energy: -449.174
where: short stacking energy: -190.369
Base-Backbone interact. energy: -0.603
local terms energy: -186.846430
where:
bonds (distance) C4'-P energy: -31.229
bonds (distance) P-C4' energy: -37.075
flat angles C4'-P-C4' energy: -40.167
flat angles P-C4'-P energy: -21.807
tors. eta vs tors. theta energy: -56.567
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: 2
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -577.791032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.791032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.791032 (E_RNA)
where:
Base-Base interactions energy: -368.170
where: short stacking energy: -179.644
Base-Backbone interact. energy: -0.188
local terms energy: -209.432955
where:
bonds (distance) C4'-P energy: -40.495
bonds (distance) P-C4' energy: -38.019
flat angles C4'-P-C4' energy: -43.225
flat angles P-C4'-P energy: -33.071
tors. eta vs tors. theta energy: -54.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -583.731922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.731922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.731922 (E_RNA)
where:
Base-Base interactions energy: -392.152
where: short stacking energy: -157.051
Base-Backbone interact. energy: 0.170
local terms energy: -191.749841
where:
bonds (distance) C4'-P energy: -30.667
bonds (distance) P-C4' energy: -33.076
flat angles C4'-P-C4' energy: -44.130
flat angles P-C4'-P energy: -29.502
tors. eta vs tors. theta energy: -54.374
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: 6, replica: 7
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -535.129645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.129645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.129645 (E_RNA)
where:
Base-Base interactions energy: -346.523
where: short stacking energy: -166.870
Base-Backbone interact. energy: -0.152
local terms energy: -188.454519
where:
bonds (distance) C4'-P energy: -38.127
bonds (distance) P-C4' energy: -27.512
flat angles C4'-P-C4' energy: -42.227
flat angles P-C4'-P energy: -33.961
tors. eta vs tors. theta energy: -46.627
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: 5
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -443.407914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.407914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.407914 (E_RNA)
where:
Base-Base interactions energy: -283.398
where: short stacking energy: -126.940
Base-Backbone interact. energy: -1.333
local terms energy: -158.676933
where:
bonds (distance) C4'-P energy: -32.150
bonds (distance) P-C4' energy: -37.851
flat angles C4'-P-C4' energy: -35.421
flat angles P-C4'-P energy: -16.880
tors. eta vs tors. theta energy: -36.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -212.093842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.093842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.093842 (E_RNA)
where:
Base-Base interactions energy: -72.370
where: short stacking energy: -67.805
Base-Backbone interact. energy: -0.846
local terms energy: -138.877234
where:
bonds (distance) C4'-P energy: -29.224
bonds (distance) P-C4' energy: -42.909
flat angles C4'-P-C4' energy: -36.664
flat angles P-C4'-P energy: -19.596
tors. eta vs tors. theta energy: -10.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -192.033220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.033220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.033220 (E_RNA)
where:
Base-Base interactions energy: -64.747
where: short stacking energy: -51.619
Base-Backbone interact. energy: -0.538
local terms energy: -126.748213
where:
bonds (distance) C4'-P energy: -33.282
bonds (distance) P-C4' energy: -37.322
flat angles C4'-P-C4' energy: -31.476
flat angles P-C4'-P energy: -15.690
tors. eta vs tors. theta energy: -8.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -174.602563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.602563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.602563 (E_RNA)
where:
Base-Base interactions energy: -61.440
where: short stacking energy: -52.839
Base-Backbone interact. energy: 1.924
local terms energy: -115.086006
where:
bonds (distance) C4'-P energy: -31.839
bonds (distance) P-C4' energy: -31.688
flat angles C4'-P-C4' energy: -32.150
flat angles P-C4'-P energy: -23.238
tors. eta vs tors. theta energy: 3.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -681.375026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.375026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.375026 (E_RNA)
where:
Base-Base interactions energy: -468.719
where: short stacking energy: -200.844
Base-Backbone interact. energy: -0.058
local terms energy: -212.598188
where:
bonds (distance) C4'-P energy: -36.745
bonds (distance) P-C4' energy: -44.078
flat angles C4'-P-C4' energy: -40.712
flat angles P-C4'-P energy: -27.263
tors. eta vs tors. theta energy: -63.801
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: 1
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -653.543793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.543793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.543793 (E_RNA)
where:
Base-Base interactions energy: -451.774
where: short stacking energy: -192.957
Base-Backbone interact. energy: -0.992
local terms energy: -200.777722
where:
bonds (distance) C4'-P energy: -35.528
bonds (distance) P-C4' energy: -41.004
flat angles C4'-P-C4' energy: -41.647
flat angles P-C4'-P energy: -30.172
tors. eta vs tors. theta energy: -52.427
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: 4
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -648.730821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.730821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.730821 (E_RNA)
where:
Base-Base interactions energy: -440.949
where: short stacking energy: -182.491
Base-Backbone interact. energy: -0.406
local terms energy: -207.376026
where:
bonds (distance) C4'-P energy: -30.544
bonds (distance) P-C4' energy: -43.807
flat angles C4'-P-C4' energy: -45.803
flat angles P-C4'-P energy: -25.887
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: 2
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -559.794902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.794902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.794902 (E_RNA)
where:
Base-Base interactions energy: -364.290
where: short stacking energy: -171.205
Base-Backbone interact. energy: -0.212
local terms energy: -195.293469
where:
bonds (distance) C4'-P energy: -32.931
bonds (distance) P-C4' energy: -40.875
flat angles C4'-P-C4' energy: -42.629
flat angles P-C4'-P energy: -30.283
tors. eta vs tors. theta energy: -48.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -564.956502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.956502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.956502 (E_RNA)
where:
Base-Base interactions energy: -376.544
where: short stacking energy: -164.937
Base-Backbone interact. energy: -0.914
local terms energy: -187.498891
where:
bonds (distance) C4'-P energy: -40.091
bonds (distance) P-C4' energy: -34.793
flat angles C4'-P-C4' energy: -36.605
flat angles P-C4'-P energy: -28.217
tors. eta vs tors. theta energy: -47.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -558.261279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.261279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.261279 (E_RNA)
where:
Base-Base interactions energy: -360.655
where: short stacking energy: -176.854
Base-Backbone interact. energy: -0.496
local terms energy: -197.110416
where:
bonds (distance) C4'-P energy: -31.779
bonds (distance) P-C4' energy: -39.949
flat angles C4'-P-C4' energy: -42.513
flat angles P-C4'-P energy: -23.826
tors. eta vs tors. theta energy: -59.043
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: 5
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -479.800170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.800170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.800170 (E_RNA)
where:
Base-Base interactions energy: -310.615
where: short stacking energy: -138.811
Base-Backbone interact. energy: -0.517
local terms energy: -168.667628
where:
bonds (distance) C4'-P energy: -34.023
bonds (distance) P-C4' energy: -36.211
flat angles C4'-P-C4' energy: -41.567
flat angles P-C4'-P energy: -21.406
tors. eta vs tors. theta energy: -35.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -192.378759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.378759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.378759 (E_RNA)
where:
Base-Base interactions energy: -71.717
where: short stacking energy: -71.717
Base-Backbone interact. energy: -0.312
local terms energy: -120.349767
where:
bonds (distance) C4'-P energy: -30.703
bonds (distance) P-C4' energy: -33.585
flat angles C4'-P-C4' energy: -28.626
flat angles P-C4'-P energy: -14.573
tors. eta vs tors. theta energy: -12.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -185.491757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.491757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.491757 (E_RNA)
where:
Base-Base interactions energy: -65.999
where: short stacking energy: -53.175
Base-Backbone interact. energy: 0.136
local terms energy: -119.629120
where:
bonds (distance) C4'-P energy: -33.609
bonds (distance) P-C4' energy: -27.212
flat angles C4'-P-C4' energy: -36.701
flat angles P-C4'-P energy: -22.484
tors. eta vs tors. theta energy: 0.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -157.781932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.781932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.781932 (E_RNA)
where:
Base-Base interactions energy: -67.181
where: short stacking energy: -48.308
Base-Backbone interact. energy: 1.143
local terms energy: -91.744278
where:
bonds (distance) C4'-P energy: -30.833
bonds (distance) P-C4' energy: -37.073
flat angles C4'-P-C4' energy: -24.995
flat angles P-C4'-P energy: -11.137
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: 363
Temperature: 0.900000
Total energy: -677.772148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.772148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.772148 (E_RNA)
where:
Base-Base interactions energy: -463.609
where: short stacking energy: -197.884
Base-Backbone interact. energy: -0.732
local terms energy: -213.430988
where:
bonds (distance) C4'-P energy: -40.609
bonds (distance) P-C4' energy: -32.666
flat angles C4'-P-C4' energy: -49.658
flat angles P-C4'-P energy: -30.716
tors. eta vs tors. theta energy: -59.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -664.740143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.740143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.740143 (E_RNA)
where:
Base-Base interactions energy: -461.093
where: short stacking energy: -199.288
Base-Backbone interact. energy: -1.372
local terms energy: -202.275338
where:
bonds (distance) C4'-P energy: -39.392
bonds (distance) P-C4' energy: -37.825
flat angles C4'-P-C4' energy: -38.393
flat angles P-C4'-P energy: -30.511
tors. eta vs tors. theta energy: -56.154
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: 4
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -626.995388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.995388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.995388 (E_RNA)
where:
Base-Base interactions energy: -419.196
where: short stacking energy: -173.343
Base-Backbone interact. energy: 1.291
local terms energy: -209.090303
where:
bonds (distance) C4'-P energy: -37.186
bonds (distance) P-C4' energy: -40.108
flat angles C4'-P-C4' energy: -42.727
flat angles P-C4'-P energy: -33.750
tors. eta vs tors. theta energy: -55.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -582.728439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.728439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.728439 (E_RNA)
where:
Base-Base interactions energy: -390.860
where: short stacking energy: -182.491
Base-Backbone interact. energy: -0.345
local terms energy: -191.523912
where:
bonds (distance) C4'-P energy: -30.052
bonds (distance) P-C4' energy: -37.390
flat angles C4'-P-C4' energy: -45.032
flat angles P-C4'-P energy: -26.000
tors. eta vs tors. theta energy: -53.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -564.996084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.996084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.996084 (E_RNA)
where:
Base-Base interactions energy: -376.910
where: short stacking energy: -167.471
Base-Backbone interact. energy: -0.597
local terms energy: -187.489161
where:
bonds (distance) C4'-P energy: -39.460
bonds (distance) P-C4' energy: -30.156
flat angles C4'-P-C4' energy: -38.018
flat angles P-C4'-P energy: -27.927
tors. eta vs tors. theta energy: -51.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -537.750619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.750619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.750619 (E_RNA)
where:
Base-Base interactions energy: -340.380
where: short stacking energy: -163.867
Base-Backbone interact. energy: -0.355
local terms energy: -197.015463
where:
bonds (distance) C4'-P energy: -35.379
bonds (distance) P-C4' energy: -35.348
flat angles C4'-P-C4' energy: -43.112
flat angles P-C4'-P energy: -30.677
tors. eta vs tors. theta energy: -52.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -482.089902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.089902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.089902 (E_RNA)
where:
Base-Base interactions energy: -311.238
where: short stacking energy: -133.226
Base-Backbone interact. energy: 1.917
local terms energy: -172.769253
where:
bonds (distance) C4'-P energy: -34.316
bonds (distance) P-C4' energy: -39.430
flat angles C4'-P-C4' energy: -42.509
flat angles P-C4'-P energy: -30.037
tors. eta vs tors. theta energy: -26.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -226.162837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.162837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.162837 (E_RNA)
where:
Base-Base interactions energy: -89.456
where: short stacking energy: -73.963
Base-Backbone interact. energy: -0.492
local terms energy: -136.214471
where:
bonds (distance) C4'-P energy: -37.332
bonds (distance) P-C4' energy: -35.593
flat angles C4'-P-C4' energy: -31.275
flat angles P-C4'-P energy: -16.171
tors. eta vs tors. theta energy: -15.844
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: 9, replica: 10
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -194.187775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.187775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.187775 (E_RNA)
where:
Base-Base interactions energy: -67.897
where: short stacking energy: -54.702
Base-Backbone interact. energy: -0.567
local terms energy: -125.723282
where:
bonds (distance) C4'-P energy: -32.024
bonds (distance) P-C4' energy: -38.967
flat angles C4'-P-C4' energy: -35.480
flat angles P-C4'-P energy: -18.508
tors. eta vs tors. theta energy: -0.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -171.722695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.722695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.722695 (E_RNA)
where:
Base-Base interactions energy: -63.562
where: short stacking energy: -52.331
Base-Backbone interact. energy: -1.469
local terms energy: -106.691327
where:
bonds (distance) C4'-P energy: -30.449
bonds (distance) P-C4' energy: -35.928
flat angles C4'-P-C4' energy: -22.557
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -6.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -678.292908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.292908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.292908 (E_RNA)
where:
Base-Base interactions energy: -463.201
where: short stacking energy: -180.519
Base-Backbone interact. energy: -0.495
local terms energy: -214.596979
where:
bonds (distance) C4'-P energy: -43.363
bonds (distance) P-C4' energy: -38.555
flat angles C4'-P-C4' energy: -39.312
flat angles P-C4'-P energy: -32.521
tors. eta vs tors. theta energy: -60.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -656.500125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.500125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.500125 (E_RNA)
where:
Base-Base interactions energy: -446.387
where: short stacking energy: -193.435
Base-Backbone interact. energy: -0.978
local terms energy: -209.135553
where:
bonds (distance) C4'-P energy: -37.313
bonds (distance) P-C4' energy: -41.628
flat angles C4'-P-C4' energy: -40.955
flat angles P-C4'-P energy: -30.807
tors. eta vs tors. theta energy: -58.433
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: 4
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -634.119582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.119582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.119582 (E_RNA)
where:
Base-Base interactions energy: -423.037
where: short stacking energy: -179.062
Base-Backbone interact. energy: -0.498
local terms energy: -210.584780
where:
bonds (distance) C4'-P energy: -33.941
bonds (distance) P-C4' energy: -39.998
flat angles C4'-P-C4' energy: -42.716
flat angles P-C4'-P energy: -32.029
tors. eta vs tors. theta energy: -61.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -579.160850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.160850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.160850 (E_RNA)
where:
Base-Base interactions energy: -378.948
where: short stacking energy: -186.730
Base-Backbone interact. energy: -1.707
local terms energy: -198.506122
where:
bonds (distance) C4'-P energy: -28.088
bonds (distance) P-C4' energy: -33.245
flat angles C4'-P-C4' energy: -45.326
flat angles P-C4'-P energy: -32.048
tors. eta vs tors. theta energy: -59.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -540.149669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.149669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.149669 (E_RNA)
where:
Base-Base interactions energy: -344.202
where: short stacking energy: -168.159
Base-Backbone interact. energy: -0.724
local terms energy: -195.223236
where:
bonds (distance) C4'-P energy: -35.096
bonds (distance) P-C4' energy: -39.264
flat angles C4'-P-C4' energy: -48.186
flat angles P-C4'-P energy: -19.605
tors. eta vs tors. theta energy: -53.072
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: 9
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -537.103093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.103093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.103093 (E_RNA)
where:
Base-Base interactions energy: -365.736
where: short stacking energy: -161.579
Base-Backbone interact. energy: 1.692
local terms energy: -173.059625
where:
bonds (distance) C4'-P energy: -33.600
bonds (distance) P-C4' energy: -37.997
flat angles C4'-P-C4' energy: -38.983
flat angles P-C4'-P energy: -16.531
tors. eta vs tors. theta energy: -45.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -463.796936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.796936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.796936 (E_RNA)
where:
Base-Base interactions energy: -298.955
where: short stacking energy: -133.225
Base-Backbone interact. energy: -0.917
local terms energy: -163.925330
where:
bonds (distance) C4'-P energy: -28.430
bonds (distance) P-C4' energy: -37.297
flat angles C4'-P-C4' energy: -44.595
flat angles P-C4'-P energy: -18.202
tors. eta vs tors. theta energy: -35.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -262.513498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.513498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.513498 (E_RNA)
where:
Base-Base interactions energy: -125.233
where: short stacking energy: -73.763
Base-Backbone interact. energy: -0.788
local terms energy: -136.492582
where:
bonds (distance) C4'-P energy: -36.101
bonds (distance) P-C4' energy: -42.400
flat angles C4'-P-C4' energy: -37.110
flat angles P-C4'-P energy: -20.013
tors. eta vs tors. theta energy: -0.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -179.981071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.981071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.981071 (E_RNA)
where:
Base-Base interactions energy: -58.190
where: short stacking energy: -53.965
Base-Backbone interact. energy: 2.553
local terms energy: -124.344267
where:
bonds (distance) C4'-P energy: -41.482
bonds (distance) P-C4' energy: -41.698
flat angles C4'-P-C4' energy: -22.001
flat angles P-C4'-P energy: -17.398
tors. eta vs tors. theta energy: -1.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -171.063762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.063762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.063762 (E_RNA)
where:
Base-Base interactions energy: -52.061
where: short stacking energy: -46.732
Base-Backbone interact. energy: 0.388
local terms energy: -119.390189
where:
bonds (distance) C4'-P energy: -28.360
bonds (distance) P-C4' energy: -35.335
flat angles C4'-P-C4' energy: -28.517
flat angles P-C4'-P energy: -22.836
tors. eta vs tors. theta energy: -4.342
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: 3
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -677.502906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.502906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.502906 (E_RNA)
where:
Base-Base interactions energy: -460.531
where: short stacking energy: -182.419
Base-Backbone interact. energy: -0.637
local terms energy: -216.334413
where:
bonds (distance) C4'-P energy: -41.040
bonds (distance) P-C4' energy: -45.432
flat angles C4'-P-C4' energy: -40.036
flat angles P-C4'-P energy: -26.705
tors. eta vs tors. theta energy: -63.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -662.796695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.796695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.796695 (E_RNA)
where:
Base-Base interactions energy: -457.057
where: short stacking energy: -201.809
Base-Backbone interact. energy: -0.551
local terms energy: -205.188035
where:
bonds (distance) C4'-P energy: -43.486
bonds (distance) P-C4' energy: -38.612
flat angles C4'-P-C4' energy: -43.565
flat angles P-C4'-P energy: -21.437
tors. eta vs tors. theta energy: -58.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -626.128890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.128890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.128890 (E_RNA)
where:
Base-Base interactions energy: -428.694
where: short stacking energy: -185.413
Base-Backbone interact. energy: -0.420
local terms energy: -197.015310
where:
bonds (distance) C4'-P energy: -33.852
bonds (distance) P-C4' energy: -39.623
flat angles C4'-P-C4' energy: -39.065
flat angles P-C4'-P energy: -22.950
tors. eta vs tors. theta energy: -61.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -585.335886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.335886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.335886 (E_RNA)
where:
Base-Base interactions energy: -376.541
where: short stacking energy: -174.179
Base-Backbone interact. energy: -0.469
local terms energy: -208.325418
where:
bonds (distance) C4'-P energy: -37.261
bonds (distance) P-C4' energy: -38.544
flat angles C4'-P-C4' energy: -41.511
flat angles P-C4'-P energy: -32.405
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: 5, replica: 7
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -546.564688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.564688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.564688 (E_RNA)
where:
Base-Base interactions energy: -350.107
where: short stacking energy: -168.811
Base-Backbone interact. energy: -0.658
local terms energy: -195.799367
where:
bonds (distance) C4'-P energy: -35.977
bonds (distance) P-C4' energy: -43.345
flat angles C4'-P-C4' energy: -38.276
flat angles P-C4'-P energy: -28.170
tors. eta vs tors. theta energy: -50.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -464.079547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.079547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.079547 (E_RNA)
where:
Base-Base interactions energy: -298.233
where: short stacking energy: -132.638
Base-Backbone interact. energy: -1.598
local terms energy: -164.249301
where:
bonds (distance) C4'-P energy: -36.605
bonds (distance) P-C4' energy: -36.505
flat angles C4'-P-C4' energy: -38.373
flat angles P-C4'-P energy: -19.111
tors. eta vs tors. theta energy: -33.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -525.310009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.310009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.310009 (E_RNA)
where:
Base-Base interactions energy: -350.134
where: short stacking energy: -144.442
Base-Backbone interact. energy: -0.327
local terms energy: -174.848549
where:
bonds (distance) C4'-P energy: -31.151
bonds (distance) P-C4' energy: -38.023
flat angles C4'-P-C4' energy: -45.936
flat angles P-C4'-P energy: -20.976
tors. eta vs tors. theta energy: -38.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -256.551321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.551321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.551321 (E_RNA)
where:
Base-Base interactions energy: -127.310
where: short stacking energy: -73.925
Base-Backbone interact. energy: 1.007
local terms energy: -130.247627
where:
bonds (distance) C4'-P energy: -27.474
bonds (distance) P-C4' energy: -36.534
flat angles C4'-P-C4' energy: -26.516
flat angles P-C4'-P energy: -22.989
tors. eta vs tors. theta energy: -16.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -165.920145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.920145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.920145 (E_RNA)
where:
Base-Base interactions energy: -52.644
where: short stacking energy: -29.832
Base-Backbone interact. energy: 0.106
local terms energy: -113.381899
where:
bonds (distance) C4'-P energy: -34.335
bonds (distance) P-C4' energy: -40.543
flat angles C4'-P-C4' energy: -22.804
flat angles P-C4'-P energy: -27.017
tors. eta vs tors. theta energy: 11.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -166.576215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.576215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.576215 (E_RNA)
where:
Base-Base interactions energy: -42.600
where: short stacking energy: -31.753
Base-Backbone interact. energy: 1.609
local terms energy: -125.585979
where:
bonds (distance) C4'-P energy: -40.145
bonds (distance) P-C4' energy: -35.439
flat angles C4'-P-C4' energy: -32.360
flat angles P-C4'-P energy: -22.974
tors. eta vs tors. theta energy: 5.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -682.905341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.905341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.905341 (E_RNA)
where:
Base-Base interactions energy: -465.983
where: short stacking energy: -207.097
Base-Backbone interact. energy: -0.447
local terms energy: -216.475500
where:
bonds (distance) C4'-P energy: -42.394
bonds (distance) P-C4' energy: -34.838
flat angles C4'-P-C4' energy: -48.448
flat angles P-C4'-P energy: -29.268
tors. eta vs tors. theta energy: -61.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -654.376397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.376397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.376397 (E_RNA)
where:
Base-Base interactions energy: -464.925
where: short stacking energy: -176.220
Base-Backbone interact. energy: 0.697
local terms energy: -190.149132
where:
bonds (distance) C4'-P energy: -34.790
bonds (distance) P-C4' energy: -32.788
flat angles C4'-P-C4' energy: -40.569
flat angles P-C4'-P energy: -25.552
tors. eta vs tors. theta energy: -56.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -626.561070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.561070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.561070 (E_RNA)
where:
Base-Base interactions energy: -418.827
where: short stacking energy: -195.333
Base-Backbone interact. energy: -0.113
local terms energy: -207.621023
where:
bonds (distance) C4'-P energy: -37.689
bonds (distance) P-C4' energy: -40.257
flat angles C4'-P-C4' energy: -45.742
flat angles P-C4'-P energy: -25.297
tors. eta vs tors. theta energy: -58.635
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: 366
Temperature: 1.050000
Total energy: -594.137981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.137981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.137981 (E_RNA)
where:
Base-Base interactions energy: -400.725
where: short stacking energy: -188.797
Base-Backbone interact. energy: -0.273
local terms energy: -193.140074
where:
bonds (distance) C4'-P energy: -39.518
bonds (distance) P-C4' energy: -29.065
flat angles C4'-P-C4' energy: -40.354
flat angles P-C4'-P energy: -28.343
tors. eta vs tors. theta energy: -55.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -559.807035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.807035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.807035 (E_RNA)
where:
Base-Base interactions energy: -369.028
where: short stacking energy: -177.197
Base-Backbone interact. energy: 0.426
local terms energy: -191.204696
where:
bonds (distance) C4'-P energy: -33.668
bonds (distance) P-C4' energy: -29.691
flat angles C4'-P-C4' energy: -40.326
flat angles P-C4'-P energy: -31.109
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: 6, replica: 5
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -487.591149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.591149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.591149 (E_RNA)
where:
Base-Base interactions energy: -318.603
where: short stacking energy: -145.010
Base-Backbone interact. energy: -1.403
local terms energy: -167.585818
where:
bonds (distance) C4'-P energy: -31.773
bonds (distance) P-C4' energy: -34.282
flat angles C4'-P-C4' energy: -40.839
flat angles P-C4'-P energy: -20.181
tors. eta vs tors. theta energy: -40.511
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: 366
Temperature: 1.200000
Total energy: -530.616021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.616021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.616021 (E_RNA)
where:
Base-Base interactions energy: -353.903
where: short stacking energy: -153.601
Base-Backbone interact. energy: -0.271
local terms energy: -176.441605
where:
bonds (distance) C4'-P energy: -38.998
bonds (distance) P-C4' energy: -33.390
flat angles C4'-P-C4' energy: -31.725
flat angles P-C4'-P energy: -22.261
tors. eta vs tors. theta energy: -50.068
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: 8
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -260.904315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.904315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.904315 (E_RNA)
where:
Base-Base interactions energy: -123.564
where: short stacking energy: -66.944
Base-Backbone interact. energy: -1.120
local terms energy: -136.220700
where:
bonds (distance) C4'-P energy: -34.112
bonds (distance) P-C4' energy: -41.187
flat angles C4'-P-C4' energy: -29.065
flat angles P-C4'-P energy: -25.352
tors. eta vs tors. theta energy: -6.505
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: 366
Temperature: 1.300000
Total energy: -174.495759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.495759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.495759 (E_RNA)
where:
Base-Base interactions energy: -65.237
where: short stacking energy: -44.518
Base-Backbone interact. energy: 1.369
local terms energy: -110.627204
where:
bonds (distance) C4'-P energy: -31.144
bonds (distance) P-C4' energy: -32.189
flat angles C4'-P-C4' energy: -30.201
flat angles P-C4'-P energy: -20.839
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: 10, replica: 6
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -182.219588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.219588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.219588 (E_RNA)
where:
Base-Base interactions energy: -68.945
where: short stacking energy: -50.861
Base-Backbone interact. energy: -0.669
local terms energy: -112.605430
where:
bonds (distance) C4'-P energy: -29.682
bonds (distance) P-C4' energy: -34.689
flat angles C4'-P-C4' energy: -30.100
flat angles P-C4'-P energy: -17.558
tors. eta vs tors. theta energy: -0.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -684.053423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.053423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.053423 (E_RNA)
where:
Base-Base interactions energy: -465.880
where: short stacking energy: -196.950
Base-Backbone interact. energy: -0.967
local terms energy: -217.206547
where:
bonds (distance) C4'-P energy: -43.982
bonds (distance) P-C4' energy: -41.018
flat angles C4'-P-C4' energy: -41.548
flat angles P-C4'-P energy: -32.861
tors. eta vs tors. theta energy: -57.797
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: 3
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -668.613752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.613752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.613752 (E_RNA)
where:
Base-Base interactions energy: -450.451
where: short stacking energy: -179.412
Base-Backbone interact. energy: -0.251
local terms energy: -217.912104
where:
bonds (distance) C4'-P energy: -46.437
bonds (distance) P-C4' energy: -35.429
flat angles C4'-P-C4' energy: -43.407
flat angles P-C4'-P energy: -33.270
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: 3, replica: 4
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -616.455550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.455550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.455550 (E_RNA)
where:
Base-Base interactions energy: -400.726
where: short stacking energy: -188.574
Base-Backbone interact. energy: 0.144
local terms energy: -215.873529
where:
bonds (distance) C4'-P energy: -39.558
bonds (distance) P-C4' energy: -41.395
flat angles C4'-P-C4' energy: -45.321
flat angles P-C4'-P energy: -29.245
tors. eta vs tors. theta energy: -60.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -578.450777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.450777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.450777 (E_RNA)
where:
Base-Base interactions energy: -379.054
where: short stacking energy: -166.929
Base-Backbone interact. energy: -1.118
local terms energy: -198.279510
where:
bonds (distance) C4'-P energy: -35.008
bonds (distance) P-C4' energy: -36.421
flat angles C4'-P-C4' energy: -39.841
flat angles P-C4'-P energy: -28.849
tors. eta vs tors. theta energy: -58.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -575.749520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.749520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.749520 (E_RNA)
where:
Base-Base interactions energy: -389.060
where: short stacking energy: -175.497
Base-Backbone interact. energy: -0.118
local terms energy: -186.571723
where:
bonds (distance) C4'-P energy: -28.444
bonds (distance) P-C4' energy: -40.931
flat angles C4'-P-C4' energy: -39.570
flat angles P-C4'-P energy: -23.084
tors. eta vs tors. theta energy: -54.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -587.278188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.278188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.278188 (E_RNA)
where:
Base-Base interactions energy: -404.984
where: short stacking energy: -179.819
Base-Backbone interact. energy: -0.244
local terms energy: -182.049823
where:
bonds (distance) C4'-P energy: -33.412
bonds (distance) P-C4' energy: -29.104
flat angles C4'-P-C4' energy: -38.210
flat angles P-C4'-P energy: -24.010
tors. eta vs tors. theta energy: -57.314
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: 367
Temperature: 1.200000
Total energy: -460.353072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.353072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.353072 (E_RNA)
where:
Base-Base interactions energy: -307.860
where: short stacking energy: -135.900
Base-Backbone interact. energy: -0.030
local terms energy: -152.462841
where:
bonds (distance) C4'-P energy: -32.161
bonds (distance) P-C4' energy: -34.745
flat angles C4'-P-C4' energy: -31.191
flat angles P-C4'-P energy: -23.638
tors. eta vs tors. theta energy: -30.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -228.542320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.542320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.542320 (E_RNA)
where:
Base-Base interactions energy: -99.562
where: short stacking energy: -62.357
Base-Backbone interact. energy: -1.391
local terms energy: -127.589201
where:
bonds (distance) C4'-P energy: -32.769
bonds (distance) P-C4' energy: -34.110
flat angles C4'-P-C4' energy: -33.772
flat angles P-C4'-P energy: -25.405
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: 9, replica: 8
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -218.858288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.858288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.858288 (E_RNA)
where:
Base-Base interactions energy: -109.465
where: short stacking energy: -57.753
Base-Backbone interact. energy: 2.225
local terms energy: -111.618177
where:
bonds (distance) C4'-P energy: -28.793
bonds (distance) P-C4' energy: -40.539
flat angles C4'-P-C4' energy: -28.914
flat angles P-C4'-P energy: -16.502
tors. eta vs tors. theta energy: 3.129
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: 6
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -185.272375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.272375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.272375 (E_RNA)
where:
Base-Base interactions energy: -77.190
where: short stacking energy: -41.074
Base-Backbone interact. energy: -1.183
local terms energy: -106.898518
where:
bonds (distance) C4'-P energy: -38.788
bonds (distance) P-C4' energy: -20.390
flat angles C4'-P-C4' energy: -30.694
flat angles P-C4'-P energy: -24.217
tors. eta vs tors. theta energy: 7.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -682.093634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.093634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.093634 (E_RNA)
where:
Base-Base interactions energy: -469.772
where: short stacking energy: -216.596
Base-Backbone interact. energy: -0.779
local terms energy: -211.542604
where:
bonds (distance) C4'-P energy: -38.493
bonds (distance) P-C4' energy: -40.047
flat angles C4'-P-C4' energy: -48.577
flat angles P-C4'-P energy: -22.797
tors. eta vs tors. theta energy: -61.629
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: 2, replica: 3
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -665.075095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.075095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.075095 (E_RNA)
where:
Base-Base interactions energy: -458.596
where: short stacking energy: -196.645
Base-Backbone interact. energy: 1.097
local terms energy: -207.575889
where:
bonds (distance) C4'-P energy: -43.329
bonds (distance) P-C4' energy: -31.741
flat angles C4'-P-C4' energy: -44.378
flat angles P-C4'-P energy: -29.489
tors. eta vs tors. theta energy: -58.639
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: 368
Temperature: 1.000000
Total energy: -637.456485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.456485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.456485 (E_RNA)
where:
Base-Base interactions energy: -428.029
where: short stacking energy: -175.253
Base-Backbone interact. energy: -0.559
local terms energy: -208.868541
where:
bonds (distance) C4'-P energy: -39.772
bonds (distance) P-C4' energy: -40.613
flat angles C4'-P-C4' energy: -43.700
flat angles P-C4'-P energy: -27.936
tors. eta vs tors. theta energy: -56.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -571.916779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.916779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.916779 (E_RNA)
where:
Base-Base interactions energy: -376.637
where: short stacking energy: -187.366
Base-Backbone interact. energy: -0.070
local terms energy: -195.209554
where:
bonds (distance) C4'-P energy: -33.099
bonds (distance) P-C4' energy: -36.527
flat angles C4'-P-C4' energy: -44.334
flat angles P-C4'-P energy: -26.245
tors. eta vs tors. theta energy: -55.004
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: 5, replica: 2
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -567.800861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.800861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.800861 (E_RNA)
where:
Base-Base interactions energy: -373.098
where: short stacking energy: -178.257
Base-Backbone interact. energy: 0.187
local terms energy: -194.889525
where:
bonds (distance) C4'-P energy: -29.253
bonds (distance) P-C4' energy: -42.722
flat angles C4'-P-C4' energy: -42.295
flat angles P-C4'-P energy: -24.955
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: 9
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -550.645746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.645746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.645746 (E_RNA)
where:
Base-Base interactions energy: -366.877
where: short stacking energy: -154.346
Base-Backbone interact. energy: -1.081
local terms energy: -182.687735
where:
bonds (distance) C4'-P energy: -28.949
bonds (distance) P-C4' energy: -31.216
flat angles C4'-P-C4' energy: -42.596
flat angles P-C4'-P energy: -27.545
tors. eta vs tors. theta energy: -52.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -466.390796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.390796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.390796 (E_RNA)
where:
Base-Base interactions energy: -306.108
where: short stacking energy: -127.641
Base-Backbone interact. energy: -0.689
local terms energy: -159.593576
where:
bonds (distance) C4'-P energy: -34.877
bonds (distance) P-C4' energy: -36.004
flat angles C4'-P-C4' energy: -39.030
flat angles P-C4'-P energy: -18.331
tors. eta vs tors. theta energy: -31.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -192.572885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.572885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.572885 (E_RNA)
where:
Base-Base interactions energy: -89.337
where: short stacking energy: -49.716
Base-Backbone interact. energy: -1.065
local terms energy: -102.170295
where:
bonds (distance) C4'-P energy: -35.799
bonds (distance) P-C4' energy: -34.600
flat angles C4'-P-C4' energy: -23.424
flat angles P-C4'-P energy: -12.390
tors. eta vs tors. theta energy: 4.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -221.447026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.447026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.447026 (E_RNA)
where:
Base-Base interactions energy: -97.943
where: short stacking energy: -59.943
Base-Backbone interact. energy: -0.631
local terms energy: -122.873353
where:
bonds (distance) C4'-P energy: -22.970
bonds (distance) P-C4' energy: -41.236
flat angles C4'-P-C4' energy: -27.729
flat angles P-C4'-P energy: -20.785
tors. eta vs tors. theta energy: -10.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -208.607576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.607576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.607576 (E_RNA)
where:
Base-Base interactions energy: -103.086
where: short stacking energy: -54.037
Base-Backbone interact. energy: 0.078
local terms energy: -105.599490
where:
bonds (distance) C4'-P energy: -27.425
bonds (distance) P-C4' energy: -28.146
flat angles C4'-P-C4' energy: -30.954
flat angles P-C4'-P energy: -15.913
tors. eta vs tors. theta energy: -3.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -676.383677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.383677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.383677 (E_RNA)
where:
Base-Base interactions energy: -466.159
where: short stacking energy: -199.494
Base-Backbone interact. energy: 1.457
local terms energy: -211.682182
where:
bonds (distance) C4'-P energy: -38.771
bonds (distance) P-C4' energy: -37.137
flat angles C4'-P-C4' energy: -44.204
flat angles P-C4'-P energy: -30.175
tors. eta vs tors. theta energy: -61.394
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: 2, replica: 3
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -665.687706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.687706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.687706 (E_RNA)
where:
Base-Base interactions energy: -458.343
where: short stacking energy: -174.719
Base-Backbone interact. energy: -0.419
local terms energy: -206.925931
where:
bonds (distance) C4'-P energy: -37.131
bonds (distance) P-C4' energy: -37.941
flat angles C4'-P-C4' energy: -46.769
flat angles P-C4'-P energy: -28.474
tors. eta vs tors. theta energy: -56.611
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: 369
Temperature: 1.000000
Total energy: -629.476122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.476122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.476122 (E_RNA)
where:
Base-Base interactions energy: -423.012
where: short stacking energy: -174.457
Base-Backbone interact. energy: 0.201
local terms energy: -206.665106
where:
bonds (distance) C4'-P energy: -43.467
bonds (distance) P-C4' energy: -44.398
flat angles C4'-P-C4' energy: -41.907
flat angles P-C4'-P energy: -19.227
tors. eta vs tors. theta energy: -57.666
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: 369
Temperature: 1.050000
Total energy: -561.267559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.267559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.267559 (E_RNA)
where:
Base-Base interactions energy: -364.696
where: short stacking energy: -168.006
Base-Backbone interact. energy: 0.118
local terms energy: -196.689655
where:
bonds (distance) C4'-P energy: -41.083
bonds (distance) P-C4' energy: -38.780
flat angles C4'-P-C4' energy: -40.871
flat angles P-C4'-P energy: -32.649
tors. eta vs tors. theta energy: -43.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -544.887938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.887938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.887938 (E_RNA)
where:
Base-Base interactions energy: -350.374
where: short stacking energy: -161.976
Base-Backbone interact. energy: -0.951
local terms energy: -193.563659
where:
bonds (distance) C4'-P energy: -37.927
bonds (distance) P-C4' energy: -35.696
flat angles C4'-P-C4' energy: -42.429
flat angles P-C4'-P energy: -26.872
tors. eta vs tors. theta energy: -50.639
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: 9
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -542.513514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.513514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.513514 (E_RNA)
where:
Base-Base interactions energy: -360.660
where: short stacking energy: -150.261
Base-Backbone interact. energy: -0.785
local terms energy: -181.068689
where:
bonds (distance) C4'-P energy: -29.163
bonds (distance) P-C4' energy: -42.243
flat angles C4'-P-C4' energy: -38.511
flat angles P-C4'-P energy: -21.958
tors. eta vs tors. theta energy: -49.192
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: 5
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -453.816791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.816791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.816791 (E_RNA)
where:
Base-Base interactions energy: -292.779
where: short stacking energy: -112.919
Base-Backbone interact. energy: -1.168
local terms energy: -159.870384
where:
bonds (distance) C4'-P energy: -35.243
bonds (distance) P-C4' energy: -39.732
flat angles C4'-P-C4' energy: -35.806
flat angles P-C4'-P energy: -25.210
tors. eta vs tors. theta energy: -23.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -200.218366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.218366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.218366 (E_RNA)
where:
Base-Base interactions energy: -67.246
where: short stacking energy: -58.466
Base-Backbone interact. energy: -1.284
local terms energy: -131.688342
where:
bonds (distance) C4'-P energy: -40.465
bonds (distance) P-C4' energy: -36.244
flat angles C4'-P-C4' energy: -26.840
flat angles P-C4'-P energy: -22.347
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: 10
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -177.084640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.084640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.084640 (E_RNA)
where:
Base-Base interactions energy: -36.169
where: short stacking energy: -36.169
Base-Backbone interact. energy: 0.037
local terms energy: -140.952886
where:
bonds (distance) C4'-P energy: -35.085
bonds (distance) P-C4' energy: -38.350
flat angles C4'-P-C4' energy: -36.267
flat angles P-C4'-P energy: -27.132
tors. eta vs tors. theta energy: -4.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -179.287321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.287321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.287321 (E_RNA)
where:
Base-Base interactions energy: -59.874
where: short stacking energy: -55.002
Base-Backbone interact. energy: 0.807
local terms energy: -120.220748
where:
bonds (distance) C4'-P energy: -35.164
bonds (distance) P-C4' energy: -39.637
flat angles C4'-P-C4' energy: -33.330
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -1.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -680.829217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.829217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.829217 (E_RNA)
where:
Base-Base interactions energy: -465.169
where: short stacking energy: -209.512
Base-Backbone interact. energy: -0.710
local terms energy: -214.949873
where:
bonds (distance) C4'-P energy: -33.774
bonds (distance) P-C4' energy: -39.723
flat angles C4'-P-C4' energy: -45.830
flat angles P-C4'-P energy: -34.268
tors. eta vs tors. theta energy: -61.355
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: 3
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -671.089905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.089905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.089905 (E_RNA)
where:
Base-Base interactions energy: -456.388
where: short stacking energy: -187.907
Base-Backbone interact. energy: -0.524
local terms energy: -214.177906
where:
bonds (distance) C4'-P energy: -37.311
bonds (distance) P-C4' energy: -43.576
flat angles C4'-P-C4' energy: -41.079
flat angles P-C4'-P energy: -32.365
tors. eta vs tors. theta energy: -59.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -614.857385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.857385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.857385 (E_RNA)
where:
Base-Base interactions energy: -418.363
where: short stacking energy: -165.183
Base-Backbone interact. energy: -0.419
local terms energy: -196.075407
where:
bonds (distance) C4'-P energy: -33.553
bonds (distance) P-C4' energy: -36.847
flat angles C4'-P-C4' energy: -38.635
flat angles P-C4'-P energy: -29.153
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: 4, replica: 7
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -581.283792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.283792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.283792 (E_RNA)
where:
Base-Base interactions energy: -378.712
where: short stacking energy: -173.746
Base-Backbone interact. energy: -0.974
local terms energy: -201.598278
where:
bonds (distance) C4'-P energy: -41.316
bonds (distance) P-C4' energy: -37.534
flat angles C4'-P-C4' energy: -39.437
flat angles P-C4'-P energy: -23.941
tors. eta vs tors. theta energy: -59.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -550.812403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.812403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.812403 (E_RNA)
where:
Base-Base interactions energy: -364.645
where: short stacking energy: -175.659
Base-Backbone interact. energy: -0.606
local terms energy: -185.561861
where:
bonds (distance) C4'-P energy: -29.030
bonds (distance) P-C4' energy: -41.360
flat angles C4'-P-C4' energy: -30.859
flat angles P-C4'-P energy: -30.033
tors. eta vs tors. theta energy: -54.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -526.843207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.843207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.843207 (E_RNA)
where:
Base-Base interactions energy: -354.790
where: short stacking energy: -145.814
Base-Backbone interact. energy: 0.375
local terms energy: -172.429140
where:
bonds (distance) C4'-P energy: -38.390
bonds (distance) P-C4' energy: -34.487
flat angles C4'-P-C4' energy: -40.712
flat angles P-C4'-P energy: -18.339
tors. eta vs tors. theta energy: -40.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -488.168159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.168159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.168159 (E_RNA)
where:
Base-Base interactions energy: -326.923
where: short stacking energy: -136.821
Base-Backbone interact. energy: 0.225
local terms energy: -161.469658
where:
bonds (distance) C4'-P energy: -28.043
bonds (distance) P-C4' energy: -34.385
flat angles C4'-P-C4' energy: -36.606
flat angles P-C4'-P energy: -26.177
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: 8
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -237.541325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.541325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.541325 (E_RNA)
where:
Base-Base interactions energy: -104.329
where: short stacking energy: -90.167
Base-Backbone interact. energy: -0.270
local terms energy: -132.942921
where:
bonds (distance) C4'-P energy: -33.787
bonds (distance) P-C4' energy: -33.220
flat angles C4'-P-C4' energy: -33.234
flat angles P-C4'-P energy: -21.833
tors. eta vs tors. theta energy: -10.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -172.825735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.825735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.825735 (E_RNA)
where:
Base-Base interactions energy: -64.074
where: short stacking energy: -46.239
Base-Backbone interact. energy: 2.139
local terms energy: -110.890885
where:
bonds (distance) C4'-P energy: -35.251
bonds (distance) P-C4' energy: -40.230
flat angles C4'-P-C4' energy: -18.156
flat angles P-C4'-P energy: -20.061
tors. eta vs tors. theta energy: 2.808
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: 10, replica: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -182.907956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.907956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.907956 (E_RNA)
where:
Base-Base interactions energy: -66.995
where: short stacking energy: -60.518
Base-Backbone interact. energy: -0.747
local terms energy: -115.165228
where:
bonds (distance) C4'-P energy: -26.709
bonds (distance) P-C4' energy: -30.762
flat angles C4'-P-C4' energy: -31.039
flat angles P-C4'-P energy: -20.320
tors. eta vs tors. theta energy: -6.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -675.731433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.731433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.731433 (E_RNA)
where:
Base-Base interactions energy: -469.858
where: short stacking energy: -214.479
Base-Backbone interact. energy: -0.398
local terms energy: -205.475077
where:
bonds (distance) C4'-P energy: -33.995
bonds (distance) P-C4' energy: -39.624
flat angles C4'-P-C4' energy: -38.774
flat angles P-C4'-P energy: -30.689
tors. eta vs tors. theta energy: -62.394
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: 2, replica: 3
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -670.110548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.110548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.110548 (E_RNA)
where:
Base-Base interactions energy: -462.298
where: short stacking energy: -183.503
Base-Backbone interact. energy: 0.191
local terms energy: -208.003138
where:
bonds (distance) C4'-P energy: -39.495
bonds (distance) P-C4' energy: -38.179
flat angles C4'-P-C4' energy: -39.347
flat angles P-C4'-P energy: -32.094
tors. eta vs tors. theta energy: -58.888
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: 4
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -607.750548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.750548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.750548 (E_RNA)
where:
Base-Base interactions energy: -401.811
where: short stacking energy: -176.798
Base-Backbone interact. energy: -0.361
local terms energy: -205.579130
where:
bonds (distance) C4'-P energy: -31.934
bonds (distance) P-C4' energy: -37.602
flat angles C4'-P-C4' energy: -43.275
flat angles P-C4'-P energy: -34.186
tors. eta vs tors. theta energy: -58.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -583.841216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.841216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.841216 (E_RNA)
where:
Base-Base interactions energy: -380.263
where: short stacking energy: -187.568
Base-Backbone interact. energy: -0.458
local terms energy: -203.120565
where:
bonds (distance) C4'-P energy: -34.585
bonds (distance) P-C4' energy: -35.072
flat angles C4'-P-C4' energy: -44.107
flat angles P-C4'-P energy: -29.030
tors. eta vs tors. theta energy: -60.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -571.063200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.063200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.063200 (E_RNA)
where:
Base-Base interactions energy: -369.942
where: short stacking energy: -173.353
Base-Backbone interact. energy: -0.436
local terms energy: -200.684436
where:
bonds (distance) C4'-P energy: -35.437
bonds (distance) P-C4' energy: -36.275
flat angles C4'-P-C4' energy: -45.064
flat angles P-C4'-P energy: -31.548
tors. eta vs tors. theta energy: -52.360
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: 6, replica: 9
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -570.704623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.704623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.704623 (E_RNA)
where:
Base-Base interactions energy: -375.111
where: short stacking energy: -156.849
Base-Backbone interact. energy: -0.837
local terms energy: -194.757115
where:
bonds (distance) C4'-P energy: -43.464
bonds (distance) P-C4' energy: -40.985
flat angles C4'-P-C4' energy: -35.286
flat angles P-C4'-P energy: -27.320
tors. eta vs tors. theta energy: -47.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -472.292592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.292592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.292592 (E_RNA)
where:
Base-Base interactions energy: -304.626
where: short stacking energy: -118.219
Base-Backbone interact. energy: -0.012
local terms energy: -167.654836
where:
bonds (distance) C4'-P energy: -43.797
bonds (distance) P-C4' energy: -36.567
flat angles C4'-P-C4' energy: -31.639
flat angles P-C4'-P energy: -23.009
tors. eta vs tors. theta energy: -32.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -196.290669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.290669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.290669 (E_RNA)
where:
Base-Base interactions energy: -81.578
where: short stacking energy: -61.877
Base-Backbone interact. energy: 0.551
local terms energy: -115.264389
where:
bonds (distance) C4'-P energy: -33.264
bonds (distance) P-C4' energy: -37.041
flat angles C4'-P-C4' energy: -31.552
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: 1.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -190.251167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.251167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.251167 (E_RNA)
where:
Base-Base interactions energy: -75.646
where: short stacking energy: -57.048
Base-Backbone interact. energy: 1.512
local terms energy: -116.117687
where:
bonds (distance) C4'-P energy: -43.117
bonds (distance) P-C4' energy: -29.749
flat angles C4'-P-C4' energy: -25.300
flat angles P-C4'-P energy: -19.452
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: 10
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -166.827186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.827186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.827186 (E_RNA)
where:
Base-Base interactions energy: -42.487
where: short stacking energy: -34.825
Base-Backbone interact. energy: -0.590
local terms energy: -123.749949
where:
bonds (distance) C4'-P energy: -42.019
bonds (distance) P-C4' energy: -39.611
flat angles C4'-P-C4' energy: -34.928
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: 9.481
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: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -692.697500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.697500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.697500 (E_RNA)
where:
Base-Base interactions energy: -470.175
where: short stacking energy: -213.898
Base-Backbone interact. energy: -1.134
local terms energy: -221.388787
where:
bonds (distance) C4'-P energy: -38.761
bonds (distance) P-C4' energy: -44.782
flat angles C4'-P-C4' energy: -43.321
flat angles P-C4'-P energy: -32.943
tors. eta vs tors. theta energy: -61.582
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: 2, replica: 3
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -660.598740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.598740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.598740 (E_RNA)
where:
Base-Base interactions energy: -447.795
where: short stacking energy: -186.542
Base-Backbone interact. energy: 2.284
local terms energy: -215.087670
where:
bonds (distance) C4'-P energy: -39.810
bonds (distance) P-C4' energy: -37.806
flat angles C4'-P-C4' energy: -45.744
flat angles P-C4'-P energy: -31.619
tors. eta vs tors. theta energy: -60.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -597.675364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.675364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.675364 (E_RNA)
where:
Base-Base interactions energy: -406.238
where: short stacking energy: -190.399
Base-Backbone interact. energy: -0.004
local terms energy: -191.432999
where:
bonds (distance) C4'-P energy: -29.868
bonds (distance) P-C4' energy: -36.741
flat angles C4'-P-C4' energy: -43.498
flat angles P-C4'-P energy: -29.826
tors. eta vs tors. theta energy: -51.501
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: 4, replica: 4
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -593.670564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.670564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.670564 (E_RNA)
where:
Base-Base interactions energy: -390.579
where: short stacking energy: -165.672
Base-Backbone interact. energy: -0.292
local terms energy: -202.799327
where:
bonds (distance) C4'-P energy: -35.510
bonds (distance) P-C4' energy: -46.576
flat angles C4'-P-C4' energy: -44.658
flat angles P-C4'-P energy: -23.441
tors. eta vs tors. theta energy: -52.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -560.200441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.200441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.200441 (E_RNA)
where:
Base-Base interactions energy: -374.187
where: short stacking energy: -149.248
Base-Backbone interact. energy: -1.424
local terms energy: -184.588950
where:
bonds (distance) C4'-P energy: -27.712
bonds (distance) P-C4' energy: -34.629
flat angles C4'-P-C4' energy: -44.987
flat angles P-C4'-P energy: -34.777
tors. eta vs tors. theta energy: -42.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -555.142522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.142522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.142522 (E_RNA)
where:
Base-Base interactions energy: -360.583
where: short stacking energy: -163.240
Base-Backbone interact. energy: -0.266
local terms energy: -194.293261
where:
bonds (distance) C4'-P energy: -36.380
bonds (distance) P-C4' energy: -40.873
flat angles C4'-P-C4' energy: -42.614
flat angles P-C4'-P energy: -23.345
tors. eta vs tors. theta energy: -51.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -465.116532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.116532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.116532 (E_RNA)
where:
Base-Base interactions energy: -307.249
where: short stacking energy: -124.825
Base-Backbone interact. energy: -0.986
local terms energy: -156.880914
where:
bonds (distance) C4'-P energy: -31.041
bonds (distance) P-C4' energy: -32.657
flat angles C4'-P-C4' energy: -40.102
flat angles P-C4'-P energy: -20.272
tors. eta vs tors. theta energy: -32.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -198.913864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.913864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.913864 (E_RNA)
where:
Base-Base interactions energy: -98.921
where: short stacking energy: -54.632
Base-Backbone interact. energy: -0.270
local terms energy: -99.723130
where:
bonds (distance) C4'-P energy: -30.557
bonds (distance) P-C4' energy: -32.260
flat angles C4'-P-C4' energy: -31.087
flat angles P-C4'-P energy: -13.425
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: 9, replica: 10
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -171.270455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.270455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.270455 (E_RNA)
where:
Base-Base interactions energy: -43.499
where: short stacking energy: -42.263
Base-Backbone interact. energy: 1.125
local terms energy: -128.896610
where:
bonds (distance) C4'-P energy: -32.735
bonds (distance) P-C4' energy: -37.826
flat angles C4'-P-C4' energy: -38.911
flat angles P-C4'-P energy: -19.928
tors. eta vs tors. theta energy: 0.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -175.271075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.271075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.271075 (E_RNA)
where:
Base-Base interactions energy: -55.858
where: short stacking energy: -36.831
Base-Backbone interact. energy: -0.914
local terms energy: -118.498822
where:
bonds (distance) C4'-P energy: -21.955
bonds (distance) P-C4' energy: -40.685
flat angles C4'-P-C4' energy: -38.272
flat angles P-C4'-P energy: -19.720
tors. eta vs tors. theta energy: 2.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -681.706740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.706740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.706740 (E_RNA)
where:
Base-Base interactions energy: -471.644
where: short stacking energy: -216.257
Base-Backbone interact. energy: 0.016
local terms energy: -210.078996
where:
bonds (distance) C4'-P energy: -32.115
bonds (distance) P-C4' energy: -42.741
flat angles C4'-P-C4' energy: -42.377
flat angles P-C4'-P energy: -31.445
tors. eta vs tors. theta energy: -61.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -654.536343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.536343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.536343 (E_RNA)
where:
Base-Base interactions energy: -457.151
where: short stacking energy: -187.096
Base-Backbone interact. energy: -0.628
local terms energy: -196.757808
where:
bonds (distance) C4'-P energy: -38.922
bonds (distance) P-C4' energy: -39.353
flat angles C4'-P-C4' energy: -39.981
flat angles P-C4'-P energy: -22.353
tors. eta vs tors. theta energy: -56.149
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: 7
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -615.907355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.907355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.907355 (E_RNA)
where:
Base-Base interactions energy: -403.886
where: short stacking energy: -180.938
Base-Backbone interact. energy: -1.029
local terms energy: -210.993180
where:
bonds (distance) C4'-P energy: -36.362
bonds (distance) P-C4' energy: -42.117
flat angles C4'-P-C4' energy: -44.200
flat angles P-C4'-P energy: -32.042
tors. eta vs tors. theta energy: -56.272
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: 9
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -612.407191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.407191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.407191 (E_RNA)
where:
Base-Base interactions energy: -406.706
where: short stacking energy: -165.564
Base-Backbone interact. energy: -1.498
local terms energy: -204.202337
where:
bonds (distance) C4'-P energy: -38.932
bonds (distance) P-C4' energy: -38.264
flat angles C4'-P-C4' energy: -42.919
flat angles P-C4'-P energy: -31.874
tors. eta vs tors. theta energy: -52.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -594.779240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.779240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.779240 (E_RNA)
where:
Base-Base interactions energy: -395.030
where: short stacking energy: -168.324
Base-Backbone interact. energy: -1.281
local terms energy: -198.468445
where:
bonds (distance) C4'-P energy: -42.008
bonds (distance) P-C4' energy: -45.855
flat angles C4'-P-C4' energy: -34.739
flat angles P-C4'-P energy: -22.567
tors. eta vs tors. theta energy: -53.299
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: 6, replica: 2
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -546.693427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.693427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.693427 (E_RNA)
where:
Base-Base interactions energy: -361.698
where: short stacking energy: -162.713
Base-Backbone interact. energy: 1.392
local terms energy: -186.388046
where:
bonds (distance) C4'-P energy: -36.485
bonds (distance) P-C4' energy: -33.318
flat angles C4'-P-C4' energy: -40.683
flat angles P-C4'-P energy: -27.208
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: 7, replica: 5
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -444.421512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.421512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.421512 (E_RNA)
where:
Base-Base interactions energy: -273.121
where: short stacking energy: -123.624
Base-Backbone interact. energy: -0.479
local terms energy: -170.820996
where:
bonds (distance) C4'-P energy: -41.873
bonds (distance) P-C4' energy: -32.955
flat angles C4'-P-C4' energy: -37.946
flat angles P-C4'-P energy: -24.929
tors. eta vs tors. theta energy: -33.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -216.756204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.756204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.756204 (E_RNA)
where:
Base-Base interactions energy: -101.752
where: short stacking energy: -53.635
Base-Backbone interact. energy: -0.804
local terms energy: -114.199947
where:
bonds (distance) C4'-P energy: -34.709
bonds (distance) P-C4' energy: -31.944
flat angles C4'-P-C4' energy: -28.233
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -5.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -189.914627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.914627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.914627 (E_RNA)
where:
Base-Base interactions energy: -66.688
where: short stacking energy: -54.008
Base-Backbone interact. energy: -0.415
local terms energy: -122.811154
where:
bonds (distance) C4'-P energy: -34.837
bonds (distance) P-C4' energy: -38.696
flat angles C4'-P-C4' energy: -27.817
flat angles P-C4'-P energy: -16.915
tors. eta vs tors. theta energy: -4.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -185.251950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.251950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.251950 (E_RNA)
where:
Base-Base interactions energy: -62.543
where: short stacking energy: -58.135
Base-Backbone interact. energy: 2.012
local terms energy: -124.720620
where:
bonds (distance) C4'-P energy: -36.184
bonds (distance) P-C4' energy: -32.263
flat angles C4'-P-C4' energy: -29.431
flat angles P-C4'-P energy: -19.568
tors. eta vs tors. theta energy: -7.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -681.465373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.465373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.465373 (E_RNA)
where:
Base-Base interactions energy: -459.126
where: short stacking energy: -192.310
Base-Backbone interact. energy: 3.117
local terms energy: -225.457071
where:
bonds (distance) C4'-P energy: -38.576
bonds (distance) P-C4' energy: -47.476
flat angles C4'-P-C4' energy: -49.284
flat angles P-C4'-P energy: -32.577
tors. eta vs tors. theta energy: -57.545
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: 3
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -645.676930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.676930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.676930 (E_RNA)
where:
Base-Base interactions energy: -428.071
where: short stacking energy: -173.210
Base-Backbone interact. energy: -0.045
local terms energy: -217.560916
where:
bonds (distance) C4'-P energy: -39.321
bonds (distance) P-C4' energy: -43.081
flat angles C4'-P-C4' energy: -46.343
flat angles P-C4'-P energy: -30.752
tors. eta vs tors. theta energy: -58.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -626.270438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.270438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.270438 (E_RNA)
where:
Base-Base interactions energy: -426.599
where: short stacking energy: -170.841
Base-Backbone interact. energy: -0.549
local terms energy: -199.122026
where:
bonds (distance) C4'-P energy: -36.999
bonds (distance) P-C4' energy: -40.034
flat angles C4'-P-C4' energy: -43.796
flat angles P-C4'-P energy: -23.340
tors. eta vs tors. theta energy: -54.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -588.701292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.701292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.701292 (E_RNA)
where:
Base-Base interactions energy: -401.621
where: short stacking energy: -182.680
Base-Backbone interact. energy: -0.284
local terms energy: -186.796675
where:
bonds (distance) C4'-P energy: -37.545
bonds (distance) P-C4' energy: -34.275
flat angles C4'-P-C4' energy: -31.954
flat angles P-C4'-P energy: -26.024
tors. eta vs tors. theta energy: -56.999
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: 4
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -576.514842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.514842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.514842 (E_RNA)
where:
Base-Base interactions energy: -388.767
where: short stacking energy: -166.856
Base-Backbone interact. energy: -0.363
local terms energy: -187.385758
where:
bonds (distance) C4'-P energy: -37.115
bonds (distance) P-C4' energy: -38.701
flat angles C4'-P-C4' energy: -29.130
flat angles P-C4'-P energy: -31.586
tors. eta vs tors. theta energy: -50.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -577.047097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.047097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.047097 (E_RNA)
where:
Base-Base interactions energy: -382.823
where: short stacking energy: -170.158
Base-Backbone interact. energy: 0.770
local terms energy: -194.993554
where:
bonds (distance) C4'-P energy: -31.550
bonds (distance) P-C4' energy: -38.319
flat angles C4'-P-C4' energy: -41.902
flat angles P-C4'-P energy: -25.271
tors. eta vs tors. theta energy: -57.952
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: 5
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -422.386994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.386994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.386994 (E_RNA)
where:
Base-Base interactions energy: -266.480
where: short stacking energy: -120.012
Base-Backbone interact. energy: -1.043
local terms energy: -154.863910
where:
bonds (distance) C4'-P energy: -29.306
bonds (distance) P-C4' energy: -34.798
flat angles C4'-P-C4' energy: -38.093
flat angles P-C4'-P energy: -26.022
tors. eta vs tors. theta energy: -26.646
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: 374
Temperature: 1.250000
Total energy: -277.106030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.106030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.106030 (E_RNA)
where:
Base-Base interactions energy: -124.740
where: short stacking energy: -73.995
Base-Backbone interact. energy: -0.583
local terms energy: -151.783035
where:
bonds (distance) C4'-P energy: -38.380
bonds (distance) P-C4' energy: -37.695
flat angles C4'-P-C4' energy: -45.603
flat angles P-C4'-P energy: -14.178
tors. eta vs tors. theta energy: -15.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -176.089030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.089030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.089030 (E_RNA)
where:
Base-Base interactions energy: -76.162
where: short stacking energy: -62.917
Base-Backbone interact. energy: -0.489
local terms energy: -99.437951
where:
bonds (distance) C4'-P energy: -27.760
bonds (distance) P-C4' energy: -26.694
flat angles C4'-P-C4' energy: -29.988
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -2.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -174.656336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.656336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.656336 (E_RNA)
where:
Base-Base interactions energy: -57.066
where: short stacking energy: -53.525
Base-Backbone interact. energy: -1.190
local terms energy: -116.399989
where:
bonds (distance) C4'-P energy: -31.677
bonds (distance) P-C4' energy: -42.483
flat angles C4'-P-C4' energy: -28.469
flat angles P-C4'-P energy: -21.382
tors. eta vs tors. theta energy: 7.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -665.484719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.484719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.484719 (E_RNA)
where:
Base-Base interactions energy: -445.141
where: short stacking energy: -212.516
Base-Backbone interact. energy: -0.931
local terms energy: -219.412891
where:
bonds (distance) C4'-P energy: -45.122
bonds (distance) P-C4' energy: -33.591
flat angles C4'-P-C4' energy: -41.689
flat angles P-C4'-P energy: -32.111
tors. eta vs tors. theta energy: -66.900
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: 3
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -654.951745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.951745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.951745 (E_RNA)
where:
Base-Base interactions energy: -444.207
where: short stacking energy: -181.646
Base-Backbone interact. energy: -0.798
local terms energy: -209.947286
where:
bonds (distance) C4'-P energy: -37.910
bonds (distance) P-C4' energy: -41.828
flat angles C4'-P-C4' energy: -42.940
flat angles P-C4'-P energy: -31.819
tors. eta vs tors. theta energy: -55.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -636.655722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.655722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.655722 (E_RNA)
where:
Base-Base interactions energy: -433.369
where: short stacking energy: -176.250
Base-Backbone interact. energy: 0.260
local terms energy: -203.546379
where:
bonds (distance) C4'-P energy: -42.501
bonds (distance) P-C4' energy: -38.145
flat angles C4'-P-C4' energy: -44.738
flat angles P-C4'-P energy: -24.666
tors. eta vs tors. theta energy: -53.496
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: 4
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -595.969905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.969905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.969905 (E_RNA)
where:
Base-Base interactions energy: -381.903
where: short stacking energy: -176.464
Base-Backbone interact. energy: 0.324
local terms energy: -214.390502
where:
bonds (distance) C4'-P energy: -40.167
bonds (distance) P-C4' energy: -35.772
flat angles C4'-P-C4' energy: -45.282
flat angles P-C4'-P energy: -33.148
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: 5, replica: 7
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -576.107716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.107716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.107716 (E_RNA)
where:
Base-Base interactions energy: -385.848
where: short stacking energy: -176.700
Base-Backbone interact. energy: 0.061
local terms energy: -190.321227
where:
bonds (distance) C4'-P energy: -38.744
bonds (distance) P-C4' energy: -32.882
flat angles C4'-P-C4' energy: -39.244
flat angles P-C4'-P energy: -26.090
tors. eta vs tors. theta energy: -53.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -568.520162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.520162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.520162 (E_RNA)
where:
Base-Base interactions energy: -360.101
where: short stacking energy: -171.814
Base-Backbone interact. energy: 0.330
local terms energy: -208.749178
where:
bonds (distance) C4'-P energy: -37.515
bonds (distance) P-C4' energy: -42.219
flat angles C4'-P-C4' energy: -44.337
flat angles P-C4'-P energy: -31.874
tors. eta vs tors. theta energy: -52.804
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: 5
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -447.345872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.345872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.345872 (E_RNA)
where:
Base-Base interactions energy: -284.259
where: short stacking energy: -123.526
Base-Backbone interact. energy: 0.566
local terms energy: -163.653413
where:
bonds (distance) C4'-P energy: -31.216
bonds (distance) P-C4' energy: -27.970
flat angles C4'-P-C4' energy: -46.779
flat angles P-C4'-P energy: -23.870
tors. eta vs tors. theta energy: -33.818
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: 10
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -263.974131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.974131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.974131 (E_RNA)
where:
Base-Base interactions energy: -123.817
where: short stacking energy: -71.476
Base-Backbone interact. energy: -0.058
local terms energy: -140.099048
where:
bonds (distance) C4'-P energy: -39.917
bonds (distance) P-C4' energy: -32.757
flat angles C4'-P-C4' energy: -35.212
flat angles P-C4'-P energy: -18.183
tors. eta vs tors. theta energy: -14.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -165.610984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.610984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.610984 (E_RNA)
where:
Base-Base interactions energy: -53.845
where: short stacking energy: -46.307
Base-Backbone interact. energy: 1.601
local terms energy: -113.367707
where:
bonds (distance) C4'-P energy: -40.311
bonds (distance) P-C4' energy: -34.951
flat angles C4'-P-C4' energy: -21.796
flat angles P-C4'-P energy: -18.023
tors. eta vs tors. theta energy: 1.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -170.330187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.330187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.330187 (E_RNA)
where:
Base-Base interactions energy: -56.883
where: short stacking energy: -27.089
Base-Backbone interact. energy: -0.804
local terms energy: -112.643254
where:
bonds (distance) C4'-P energy: -36.962
bonds (distance) P-C4' energy: -30.440
flat angles C4'-P-C4' energy: -30.482
flat angles P-C4'-P energy: -25.772
tors. eta vs tors. theta energy: 11.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -687.049733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.049733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.049733 (E_RNA)
where:
Base-Base interactions energy: -455.734
where: short stacking energy: -207.198
Base-Backbone interact. energy: -2.336
local terms energy: -228.979452
where:
bonds (distance) C4'-P energy: -41.539
bonds (distance) P-C4' energy: -47.039
flat angles C4'-P-C4' energy: -43.564
flat angles P-C4'-P energy: -35.713
tors. eta vs tors. theta energy: -61.125
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: 3
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -658.016983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.016983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.016983 (E_RNA)
where:
Base-Base interactions energy: -439.649
where: short stacking energy: -185.145
Base-Backbone interact. energy: -1.311
local terms energy: -217.057009
where:
bonds (distance) C4'-P energy: -36.397
bonds (distance) P-C4' energy: -43.647
flat angles C4'-P-C4' energy: -48.445
flat angles P-C4'-P energy: -31.294
tors. eta vs tors. theta energy: -57.274
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: 9
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -624.571504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.571504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.571504 (E_RNA)
where:
Base-Base interactions energy: -419.421
where: short stacking energy: -176.694
Base-Backbone interact. energy: -0.725
local terms energy: -204.425303
where:
bonds (distance) C4'-P energy: -33.137
bonds (distance) P-C4' energy: -42.685
flat angles C4'-P-C4' energy: -39.299
flat angles P-C4'-P energy: -28.610
tors. eta vs tors. theta energy: -60.694
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: 4
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -571.030316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.030316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.030316 (E_RNA)
where:
Base-Base interactions energy: -374.697
where: short stacking energy: -167.478
Base-Backbone interact. energy: -0.429
local terms energy: -195.903871
where:
bonds (distance) C4'-P energy: -42.706
bonds (distance) P-C4' energy: -36.862
flat angles C4'-P-C4' energy: -37.149
flat angles P-C4'-P energy: -27.455
tors. eta vs tors. theta energy: -51.732
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: 376
Temperature: 1.100000
Total energy: -602.358089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.358089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.358089 (E_RNA)
where:
Base-Base interactions energy: -400.077
where: short stacking energy: -196.690
Base-Backbone interact. energy: -1.157
local terms energy: -201.123398
where:
bonds (distance) C4'-P energy: -41.797
bonds (distance) P-C4' energy: -36.267
flat angles C4'-P-C4' energy: -39.427
flat angles P-C4'-P energy: -19.787
tors. eta vs tors. theta energy: -63.845
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: 7
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -571.699752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.699752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.699752 (E_RNA)
where:
Base-Base interactions energy: -390.237
where: short stacking energy: -164.967
Base-Backbone interact. energy: -1.083
local terms energy: -180.380418
where:
bonds (distance) C4'-P energy: -38.245
bonds (distance) P-C4' energy: -40.819
flat angles C4'-P-C4' energy: -34.582
flat angles P-C4'-P energy: -18.375
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: 7, replica: 5
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -505.211728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.211728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.211728 (E_RNA)
where:
Base-Base interactions energy: -339.210
where: short stacking energy: -143.796
Base-Backbone interact. energy: -0.037
local terms energy: -165.965130
where:
bonds (distance) C4'-P energy: -39.095
bonds (distance) P-C4' energy: -33.360
flat angles C4'-P-C4' energy: -33.783
flat angles P-C4'-P energy: -24.332
tors. eta vs tors. theta energy: -35.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -242.927362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.927362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.927362 (E_RNA)
where:
Base-Base interactions energy: -128.767
where: short stacking energy: -67.039
Base-Backbone interact. energy: 0.464
local terms energy: -114.624138
where:
bonds (distance) C4'-P energy: -23.356
bonds (distance) P-C4' energy: -34.890
flat angles C4'-P-C4' energy: -34.413
flat angles P-C4'-P energy: -15.713
tors. eta vs tors. theta energy: -6.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -183.489834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.489834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.489834 (E_RNA)
where:
Base-Base interactions energy: -64.667
where: short stacking energy: -40.242
Base-Backbone interact. energy: -0.198
local terms energy: -118.625141
where:
bonds (distance) C4'-P energy: -31.243
bonds (distance) P-C4' energy: -36.764
flat angles C4'-P-C4' energy: -30.943
flat angles P-C4'-P energy: -20.463
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: 10, replica: 8
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -180.084519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.084519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.084519 (E_RNA)
where:
Base-Base interactions energy: -72.075
where: short stacking energy: -64.978
Base-Backbone interact. energy: -0.374
local terms energy: -107.635388
where:
bonds (distance) C4'-P energy: -24.140
bonds (distance) P-C4' energy: -30.496
flat angles C4'-P-C4' energy: -30.436
flat angles P-C4'-P energy: -14.576
tors. eta vs tors. theta energy: -7.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -672.122812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.122812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.122812 (E_RNA)
where:
Base-Base interactions energy: -461.661
where: short stacking energy: -200.454
Base-Backbone interact. energy: 0.129
local terms energy: -210.590725
where:
bonds (distance) C4'-P energy: -36.104
bonds (distance) P-C4' energy: -38.532
flat angles C4'-P-C4' energy: -47.232
flat angles P-C4'-P energy: -33.073
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: 3
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -654.409997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.409997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.409997 (E_RNA)
where:
Base-Base interactions energy: -443.022
where: short stacking energy: -198.792
Base-Backbone interact. energy: -0.578
local terms energy: -210.810477
where:
bonds (distance) C4'-P energy: -38.831
bonds (distance) P-C4' energy: -39.143
flat angles C4'-P-C4' energy: -46.218
flat angles P-C4'-P energy: -24.953
tors. eta vs tors. theta energy: -61.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -615.093861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.093861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.093861 (E_RNA)
where:
Base-Base interactions energy: -402.569
where: short stacking energy: -170.872
Base-Backbone interact. energy: -0.455
local terms energy: -212.069430
where:
bonds (distance) C4'-P energy: -35.912
bonds (distance) P-C4' energy: -39.483
flat angles C4'-P-C4' energy: -47.774
flat angles P-C4'-P energy: -25.822
tors. eta vs tors. theta energy: -63.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -583.344765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.344765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.344765 (E_RNA)
where:
Base-Base interactions energy: -382.749
where: short stacking energy: -175.854
Base-Backbone interact. energy: -0.743
local terms energy: -199.852688
where:
bonds (distance) C4'-P energy: -33.625
bonds (distance) P-C4' energy: -42.110
flat angles C4'-P-C4' energy: -46.117
flat angles P-C4'-P energy: -22.047
tors. eta vs tors. theta energy: -55.953
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: 5, replica: 4
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -578.865780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.865780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.865780 (E_RNA)
where:
Base-Base interactions energy: -387.152
where: short stacking energy: -154.129
Base-Backbone interact. energy: -0.815
local terms energy: -190.897913
where:
bonds (distance) C4'-P energy: -38.079
bonds (distance) P-C4' energy: -37.821
flat angles C4'-P-C4' energy: -43.889
flat angles P-C4'-P energy: -22.215
tors. eta vs tors. theta energy: -48.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -568.014399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.014399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.014399 (E_RNA)
where:
Base-Base interactions energy: -374.248
where: short stacking energy: -164.522
Base-Backbone interact. energy: 0.612
local terms energy: -194.379130
where:
bonds (distance) C4'-P energy: -32.667
bonds (distance) P-C4' energy: -36.374
flat angles C4'-P-C4' energy: -44.011
flat angles P-C4'-P energy: -32.969
tors. eta vs tors. theta energy: -48.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -470.632261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.632261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.632261 (E_RNA)
where:
Base-Base interactions energy: -306.384
where: short stacking energy: -133.216
Base-Backbone interact. energy: -0.457
local terms energy: -163.791665
where:
bonds (distance) C4'-P energy: -34.453
bonds (distance) P-C4' energy: -34.815
flat angles C4'-P-C4' energy: -34.065
flat angles P-C4'-P energy: -25.790
tors. eta vs tors. theta energy: -34.669
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: 8, replica: 10
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -252.346905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.346905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.346905 (E_RNA)
where:
Base-Base interactions energy: -129.330
where: short stacking energy: -61.913
Base-Backbone interact. energy: -0.450
local terms energy: -122.567085
where:
bonds (distance) C4'-P energy: -29.288
bonds (distance) P-C4' energy: -28.807
flat angles C4'-P-C4' energy: -32.684
flat angles P-C4'-P energy: -23.982
tors. eta vs tors. theta energy: -7.807
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: 377
Temperature: 1.300000
Total energy: -181.704891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.704891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.704891 (E_RNA)
where:
Base-Base interactions energy: -64.607
where: short stacking energy: -47.890
Base-Backbone interact. energy: 0.801
local terms energy: -117.898694
where:
bonds (distance) C4'-P energy: -32.988
bonds (distance) P-C4' energy: -29.258
flat angles C4'-P-C4' energy: -30.987
flat angles P-C4'-P energy: -19.163
tors. eta vs tors. theta energy: -5.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -163.492901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.492901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.492901 (E_RNA)
where:
Base-Base interactions energy: -60.545
where: short stacking energy: -59.425
Base-Backbone interact. energy: -0.632
local terms energy: -102.316531
where:
bonds (distance) C4'-P energy: -22.014
bonds (distance) P-C4' energy: -36.642
flat angles C4'-P-C4' energy: -20.636
flat angles P-C4'-P energy: -19.282
tors. eta vs tors. theta energy: -3.743
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: 1, replica: 1
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -670.304047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.304047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.304047 (E_RNA)
where:
Base-Base interactions energy: -455.768
where: short stacking energy: -203.495
Base-Backbone interact. energy: -0.753
local terms energy: -213.782799
where:
bonds (distance) C4'-P energy: -44.513
bonds (distance) P-C4' energy: -37.323
flat angles C4'-P-C4' energy: -39.236
flat angles P-C4'-P energy: -33.222
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: 2, replica: 3
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -671.751615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.751615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.751615 (E_RNA)
where:
Base-Base interactions energy: -455.070
where: short stacking energy: -195.007
Base-Backbone interact. energy: -0.694
local terms energy: -215.987777
where:
bonds (distance) C4'-P energy: -39.219
bonds (distance) P-C4' energy: -37.415
flat angles C4'-P-C4' energy: -47.851
flat angles P-C4'-P energy: -29.814
tors. eta vs tors. theta energy: -61.689
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: 9
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -618.841613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.841613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.841613 (E_RNA)
where:
Base-Base interactions energy: -415.872
where: short stacking energy: -179.636
Base-Backbone interact. energy: -0.165
local terms energy: -202.804444
where:
bonds (distance) C4'-P energy: -35.440
bonds (distance) P-C4' energy: -36.900
flat angles C4'-P-C4' energy: -39.454
flat angles P-C4'-P energy: -28.957
tors. eta vs tors. theta energy: -62.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -571.582484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.582484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.582484 (E_RNA)
where:
Base-Base interactions energy: -370.383
where: short stacking energy: -170.462
Base-Backbone interact. energy: 0.100
local terms energy: -201.299719
where:
bonds (distance) C4'-P energy: -35.721
bonds (distance) P-C4' energy: -37.563
flat angles C4'-P-C4' energy: -42.526
flat angles P-C4'-P energy: -27.958
tors. eta vs tors. theta energy: -57.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -595.285013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.285013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.285013 (E_RNA)
where:
Base-Base interactions energy: -392.757
where: short stacking energy: -168.398
Base-Backbone interact. energy: -0.214
local terms energy: -202.313640
where:
bonds (distance) C4'-P energy: -40.423
bonds (distance) P-C4' energy: -38.932
flat angles C4'-P-C4' energy: -39.960
flat angles P-C4'-P energy: -27.585
tors. eta vs tors. theta energy: -55.414
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: 7
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -554.825318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.825318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.825318 (E_RNA)
where:
Base-Base interactions energy: -361.401
where: short stacking energy: -160.691
Base-Backbone interact. energy: -0.815
local terms energy: -192.609836
where:
bonds (distance) C4'-P energy: -36.213
bonds (distance) P-C4' energy: -41.343
flat angles C4'-P-C4' energy: -36.279
flat angles P-C4'-P energy: -24.714
tors. eta vs tors. theta energy: -54.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -463.750834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.750834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.750834 (E_RNA)
where:
Base-Base interactions energy: -315.380
where: short stacking energy: -126.900
Base-Backbone interact. energy: -0.247
local terms energy: -148.124436
where:
bonds (distance) C4'-P energy: -28.987
bonds (distance) P-C4' energy: -25.760
flat angles C4'-P-C4' energy: -34.394
flat angles P-C4'-P energy: -20.991
tors. eta vs tors. theta energy: -37.993
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: 378
Temperature: 1.250000
Total energy: -264.918639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.918639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.918639 (E_RNA)
where:
Base-Base interactions energy: -139.288
where: short stacking energy: -77.048
Base-Backbone interact. energy: -1.107
local terms energy: -124.523270
where:
bonds (distance) C4'-P energy: -33.500
bonds (distance) P-C4' energy: -28.900
flat angles C4'-P-C4' energy: -30.433
flat angles P-C4'-P energy: -20.917
tors. eta vs tors. theta energy: -10.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -188.130571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.130571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.130571 (E_RNA)
where:
Base-Base interactions energy: -64.243
where: short stacking energy: -50.590
Base-Backbone interact. energy: -0.476
local terms energy: -123.412280
where:
bonds (distance) C4'-P energy: -33.999
bonds (distance) P-C4' energy: -35.539
flat angles C4'-P-C4' energy: -25.340
flat angles P-C4'-P energy: -22.569
tors. eta vs tors. theta energy: -5.965
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: 8
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -176.483923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.483923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.483923 (E_RNA)
where:
Base-Base interactions energy: -71.174
where: short stacking energy: -36.760
Base-Backbone interact. energy: -1.525
local terms energy: -103.784813
where:
bonds (distance) C4'-P energy: -27.609
bonds (distance) P-C4' energy: -42.334
flat angles C4'-P-C4' energy: -25.109
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: 1.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -670.403466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.403466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.403466 (E_RNA)
where:
Base-Base interactions energy: -451.317
where: short stacking energy: -197.565
Base-Backbone interact. energy: 0.776
local terms energy: -219.862821
where:
bonds (distance) C4'-P energy: -36.544
bonds (distance) P-C4' energy: -43.291
flat angles C4'-P-C4' energy: -42.729
flat angles P-C4'-P energy: -37.605
tors. eta vs tors. theta energy: -59.694
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: 3
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -669.003025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.003025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.003025 (E_RNA)
where:
Base-Base interactions energy: -445.888
where: short stacking energy: -185.478
Base-Backbone interact. energy: -1.598
local terms energy: -221.517836
where:
bonds (distance) C4'-P energy: -45.419
bonds (distance) P-C4' energy: -40.843
flat angles C4'-P-C4' energy: -45.001
flat angles P-C4'-P energy: -28.787
tors. eta vs tors. theta energy: -61.468
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: 9
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -622.686663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.686663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.686663 (E_RNA)
where:
Base-Base interactions energy: -422.840
where: short stacking energy: -194.986
Base-Backbone interact. energy: -0.146
local terms energy: -199.700370
where:
bonds (distance) C4'-P energy: -29.947
bonds (distance) P-C4' energy: -38.199
flat angles C4'-P-C4' energy: -43.950
flat angles P-C4'-P energy: -25.806
tors. eta vs tors. theta energy: -61.798
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: 4
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -578.740956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.740956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.740956 (E_RNA)
where:
Base-Base interactions energy: -383.251
where: short stacking energy: -162.340
Base-Backbone interact. energy: -0.906
local terms energy: -194.583650
where:
bonds (distance) C4'-P energy: -38.274
bonds (distance) P-C4' energy: -39.729
flat angles C4'-P-C4' energy: -43.769
flat angles P-C4'-P energy: -28.026
tors. eta vs tors. theta energy: -44.785
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: 2
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -535.676244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.676244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.676244 (E_RNA)
where:
Base-Base interactions energy: -341.508
where: short stacking energy: -164.035
Base-Backbone interact. energy: -0.273
local terms energy: -193.895132
where:
bonds (distance) C4'-P energy: -40.726
bonds (distance) P-C4' energy: -37.976
flat angles C4'-P-C4' energy: -41.962
flat angles P-C4'-P energy: -25.702
tors. eta vs tors. theta energy: -47.529
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: 6, replica: 7
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -537.910115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.910115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.910115 (E_RNA)
where:
Base-Base interactions energy: -348.285
where: short stacking energy: -166.226
Base-Backbone interact. energy: 0.371
local terms energy: -189.996318
where:
bonds (distance) C4'-P energy: -34.128
bonds (distance) P-C4' energy: -38.964
flat angles C4'-P-C4' energy: -39.577
flat angles P-C4'-P energy: -23.673
tors. eta vs tors. theta energy: -53.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -465.688258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.688258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.688258 (E_RNA)
where:
Base-Base interactions energy: -307.069
where: short stacking energy: -135.833
Base-Backbone interact. energy: 1.131
local terms energy: -159.749702
where:
bonds (distance) C4'-P energy: -37.172
bonds (distance) P-C4' energy: -29.909
flat angles C4'-P-C4' energy: -28.468
flat angles P-C4'-P energy: -24.865
tors. eta vs tors. theta energy: -39.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -210.743623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.743623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.743623 (E_RNA)
where:
Base-Base interactions energy: -94.163
where: short stacking energy: -42.789
Base-Backbone interact. energy: -0.251
local terms energy: -116.329386
where:
bonds (distance) C4'-P energy: -41.793
bonds (distance) P-C4' energy: -35.429
flat angles C4'-P-C4' energy: -22.046
flat angles P-C4'-P energy: -19.498
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: 6
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -180.935721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.935721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.935721 (E_RNA)
where:
Base-Base interactions energy: -65.989
where: short stacking energy: -49.267
Base-Backbone interact. energy: 4.509
local terms energy: -119.454822
where:
bonds (distance) C4'-P energy: -34.756
bonds (distance) P-C4' energy: -39.955
flat angles C4'-P-C4' energy: -30.058
flat angles P-C4'-P energy: -17.688
tors. eta vs tors. theta energy: 3.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -183.883984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.883984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.883984 (E_RNA)
where:
Base-Base interactions energy: -65.174
where: short stacking energy: -40.715
Base-Backbone interact. energy: 0.429
local terms energy: -119.139017
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -36.691
flat angles C4'-P-C4' energy: -30.161
flat angles P-C4'-P energy: -28.060
tors. eta vs tors. theta energy: -6.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -690.673912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.673912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.673912 (E_RNA)
where:
Base-Base interactions energy: -476.538
where: short stacking energy: -199.405
Base-Backbone interact. energy: -1.305
local terms energy: -212.830849
where:
bonds (distance) C4'-P energy: -36.557
bonds (distance) P-C4' energy: -42.299
flat angles C4'-P-C4' energy: -39.850
flat angles P-C4'-P energy: -32.774
tors. eta vs tors. theta energy: -61.351
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: 2, replica: 1
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -659.719046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.719046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.719046 (E_RNA)
where:
Base-Base interactions energy: -439.491
where: short stacking energy: -186.862
Base-Backbone interact. energy: -1.319
local terms energy: -218.909025
where:
bonds (distance) C4'-P energy: -39.420
bonds (distance) P-C4' energy: -37.873
flat angles C4'-P-C4' energy: -47.316
flat angles P-C4'-P energy: -34.956
tors. eta vs tors. theta energy: -59.343
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: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -618.285002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.285002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.285002 (E_RNA)
where:
Base-Base interactions energy: -414.424
where: short stacking energy: -183.313
Base-Backbone interact. energy: -0.487
local terms energy: -203.373649
where:
bonds (distance) C4'-P energy: -37.873
bonds (distance) P-C4' energy: -37.878
flat angles C4'-P-C4' energy: -44.980
flat angles P-C4'-P energy: -25.175
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: 4
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -593.373522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.373522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.373522 (E_RNA)
where:
Base-Base interactions energy: -378.162
where: short stacking energy: -171.698
Base-Backbone interact. energy: -0.264
local terms energy: -214.947539
where:
bonds (distance) C4'-P energy: -38.510
bonds (distance) P-C4' energy: -42.884
flat angles C4'-P-C4' energy: -45.794
flat angles P-C4'-P energy: -29.669
tors. eta vs tors. theta energy: -58.091
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: 2
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -533.288924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.288924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.288924 (E_RNA)
where:
Base-Base interactions energy: -353.742
where: short stacking energy: -167.141
Base-Backbone interact. energy: -1.002
local terms energy: -178.544764
where:
bonds (distance) C4'-P energy: -31.925
bonds (distance) P-C4' energy: -34.776
flat angles C4'-P-C4' energy: -47.684
flat angles P-C4'-P energy: -23.786
tors. eta vs tors. theta energy: -40.374
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: 6, replica: 7
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -532.300859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.300859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.300859 (E_RNA)
where:
Base-Base interactions energy: -353.431
where: short stacking energy: -162.835
Base-Backbone interact. energy: -0.382
local terms energy: -178.488390
where:
bonds (distance) C4'-P energy: -23.908
bonds (distance) P-C4' energy: -42.451
flat angles C4'-P-C4' energy: -32.280
flat angles P-C4'-P energy: -32.333
tors. eta vs tors. theta energy: -47.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -481.763808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.763808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.763808 (E_RNA)
where:
Base-Base interactions energy: -317.182
where: short stacking energy: -143.004
Base-Backbone interact. energy: -0.448
local terms energy: -164.133988
where:
bonds (distance) C4'-P energy: -34.677
bonds (distance) P-C4' energy: -28.260
flat angles C4'-P-C4' energy: -34.482
flat angles P-C4'-P energy: -20.581
tors. eta vs tors. theta energy: -46.136
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: 380
Temperature: 1.250000
Total energy: -209.334561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.334561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.334561 (E_RNA)
where:
Base-Base interactions energy: -90.306
where: short stacking energy: -67.347
Base-Backbone interact. energy: 0.428
local terms energy: -119.457082
where:
bonds (distance) C4'-P energy: -34.054
bonds (distance) P-C4' energy: -32.396
flat angles C4'-P-C4' energy: -28.717
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -10.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -179.087451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.087451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.087451 (E_RNA)
where:
Base-Base interactions energy: -68.854
where: short stacking energy: -35.476
Base-Backbone interact. energy: 0.097
local terms energy: -110.330095
where:
bonds (distance) C4'-P energy: -35.715
bonds (distance) P-C4' energy: -37.972
flat angles C4'-P-C4' energy: -25.858
flat angles P-C4'-P energy: -18.942
tors. eta vs tors. theta energy: 8.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -174.613358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.613358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.613358 (E_RNA)
where:
Base-Base interactions energy: -49.666
where: short stacking energy: -46.521
Base-Backbone interact. energy: -1.126
local terms energy: -123.821545
where:
bonds (distance) C4'-P energy: -35.350
bonds (distance) P-C4' energy: -38.533
flat angles C4'-P-C4' energy: -31.809
flat angles P-C4'-P energy: -20.571
tors. eta vs tors. theta energy: 2.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -679.667957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.667957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.667957 (E_RNA)
where:
Base-Base interactions energy: -459.105
where: short stacking energy: -200.215
Base-Backbone interact. energy: 0.639
local terms energy: -221.202522
where:
bonds (distance) C4'-P energy: -39.558
bonds (distance) P-C4' energy: -40.352
flat angles C4'-P-C4' energy: -46.156
flat angles P-C4'-P energy: -32.088
tors. eta vs tors. theta energy: -63.048
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: 2, replica: 1
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -663.387372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.387372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.387372 (E_RNA)
where:
Base-Base interactions energy: -456.331
where: short stacking energy: -181.035
Base-Backbone interact. energy: -1.213
local terms energy: -205.843004
where:
bonds (distance) C4'-P energy: -36.524
bonds (distance) P-C4' energy: -37.511
flat angles C4'-P-C4' energy: -43.969
flat angles P-C4'-P energy: -32.102
tors. eta vs tors. theta energy: -55.737
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: 9
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -621.130714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.130714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.130714 (E_RNA)
where:
Base-Base interactions energy: -414.767
where: short stacking energy: -186.036
Base-Backbone interact. energy: 3.342
local terms energy: -209.705652
where:
bonds (distance) C4'-P energy: -33.029
bonds (distance) P-C4' energy: -41.459
flat angles C4'-P-C4' energy: -41.411
flat angles P-C4'-P energy: -32.809
tors. eta vs tors. theta energy: -60.998
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: 381
Temperature: 1.050000
Total energy: -597.915113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.915113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.915113 (E_RNA)
where:
Base-Base interactions energy: -406.267
where: short stacking energy: -161.958
Base-Backbone interact. energy: -0.260
local terms energy: -191.387816
where:
bonds (distance) C4'-P energy: -40.857
bonds (distance) P-C4' energy: -39.494
flat angles C4'-P-C4' energy: -42.845
flat angles P-C4'-P energy: -17.403
tors. eta vs tors. theta energy: -50.788
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: 2
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -528.461645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.461645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.461645 (E_RNA)
where:
Base-Base interactions energy: -338.167
where: short stacking energy: -153.984
Base-Backbone interact. energy: -1.091
local terms energy: -189.204336
where:
bonds (distance) C4'-P energy: -29.888
bonds (distance) P-C4' energy: -33.021
flat angles C4'-P-C4' energy: -44.036
flat angles P-C4'-P energy: -32.045
tors. eta vs tors. theta energy: -50.214
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: 381
Temperature: 1.150000
Total energy: -473.950242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.950242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.950242 (E_RNA)
where:
Base-Base interactions energy: -312.058
where: short stacking energy: -135.818
Base-Backbone interact. energy: -1.473
local terms energy: -160.419414
where:
bonds (distance) C4'-P energy: -39.740
bonds (distance) P-C4' energy: -34.084
flat angles C4'-P-C4' energy: -37.924
flat angles P-C4'-P energy: -18.487
tors. eta vs tors. theta energy: -30.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -540.990347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.990347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.990347 (E_RNA)
where:
Base-Base interactions energy: -352.070
where: short stacking energy: -166.314
Base-Backbone interact. energy: -0.125
local terms energy: -188.795713
where:
bonds (distance) C4'-P energy: -37.787
bonds (distance) P-C4' energy: -35.615
flat angles C4'-P-C4' energy: -40.483
flat angles P-C4'-P energy: -25.125
tors. eta vs tors. theta energy: -49.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -208.964081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.964081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.964081 (E_RNA)
where:
Base-Base interactions energy: -81.311
where: short stacking energy: -51.085
Base-Backbone interact. energy: -0.677
local terms energy: -126.975861
where:
bonds (distance) C4'-P energy: -34.028
bonds (distance) P-C4' energy: -41.736
flat angles C4'-P-C4' energy: -29.054
flat angles P-C4'-P energy: -18.821
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: 9, replica: 10
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -187.895718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.895718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.895718 (E_RNA)
where:
Base-Base interactions energy: -70.266
where: short stacking energy: -68.972
Base-Backbone interact. energy: -0.571
local terms energy: -117.058114
where:
bonds (distance) C4'-P energy: -27.523
bonds (distance) P-C4' energy: -34.518
flat angles C4'-P-C4' energy: -32.549
flat angles P-C4'-P energy: -22.977
tors. eta vs tors. theta energy: 0.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -188.427436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.427436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.427436 (E_RNA)
where:
Base-Base interactions energy: -60.527
where: short stacking energy: -55.183
Base-Backbone interact. energy: 0.723
local terms energy: -128.622878
where:
bonds (distance) C4'-P energy: -35.598
bonds (distance) P-C4' energy: -41.726
flat angles C4'-P-C4' energy: -37.677
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: 1.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -693.755295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.755295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.755295 (E_RNA)
where:
Base-Base interactions energy: -484.274
where: short stacking energy: -194.835
Base-Backbone interact. energy: -0.534
local terms energy: -208.947223
where:
bonds (distance) C4'-P energy: -40.511
bonds (distance) P-C4' energy: -40.003
flat angles C4'-P-C4' energy: -45.753
flat angles P-C4'-P energy: -30.811
tors. eta vs tors. theta energy: -51.869
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: 2, replica: 1
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -666.597121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.597121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.597121 (E_RNA)
where:
Base-Base interactions energy: -461.071
where: short stacking energy: -200.425
Base-Backbone interact. energy: -0.120
local terms energy: -205.405684
where:
bonds (distance) C4'-P energy: -35.814
bonds (distance) P-C4' energy: -41.077
flat angles C4'-P-C4' energy: -39.622
flat angles P-C4'-P energy: -32.710
tors. eta vs tors. theta energy: -56.183
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: 9
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -613.193306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.193306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.193306 (E_RNA)
where:
Base-Base interactions energy: -407.108
where: short stacking energy: -170.558
Base-Backbone interact. energy: 0.468
local terms energy: -206.553478
where:
bonds (distance) C4'-P energy: -41.001
bonds (distance) P-C4' energy: -36.874
flat angles C4'-P-C4' energy: -46.039
flat angles P-C4'-P energy: -28.219
tors. eta vs tors. theta energy: -54.420
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: 4, replica: 4
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -580.420474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.420474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.420474 (E_RNA)
where:
Base-Base interactions energy: -386.483
where: short stacking energy: -160.827
Base-Backbone interact. energy: -0.252
local terms energy: -193.685242
where:
bonds (distance) C4'-P energy: -42.140
bonds (distance) P-C4' energy: -34.458
flat angles C4'-P-C4' energy: -36.817
flat angles P-C4'-P energy: -33.640
tors. eta vs tors. theta energy: -46.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -532.948462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.948462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.948462 (E_RNA)
where:
Base-Base interactions energy: -353.428
where: short stacking energy: -161.960
Base-Backbone interact. energy: -0.752
local terms energy: -178.767637
where:
bonds (distance) C4'-P energy: -26.981
bonds (distance) P-C4' energy: -34.759
flat angles C4'-P-C4' energy: -37.748
flat angles P-C4'-P energy: -32.400
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: 5
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -482.118359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.118359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.118359 (E_RNA)
where:
Base-Base interactions energy: -310.070
where: short stacking energy: -131.147
Base-Backbone interact. energy: -0.686
local terms energy: -171.361469
where:
bonds (distance) C4'-P energy: -36.289
bonds (distance) P-C4' energy: -37.211
flat angles C4'-P-C4' energy: -36.196
flat angles P-C4'-P energy: -27.202
tors. eta vs tors. theta energy: -34.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -509.725612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.725612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.725612 (E_RNA)
where:
Base-Base interactions energy: -323.094
where: short stacking energy: -149.428
Base-Backbone interact. energy: -0.919
local terms energy: -185.713141
where:
bonds (distance) C4'-P energy: -34.016
bonds (distance) P-C4' energy: -42.944
flat angles C4'-P-C4' energy: -32.884
flat angles P-C4'-P energy: -26.723
tors. eta vs tors. theta energy: -49.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -186.966334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.966334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.966334 (E_RNA)
where:
Base-Base interactions energy: -59.886
where: short stacking energy: -56.474
Base-Backbone interact. energy: -0.362
local terms energy: -126.718362
where:
bonds (distance) C4'-P energy: -33.816
bonds (distance) P-C4' energy: -32.449
flat angles C4'-P-C4' energy: -36.176
flat angles P-C4'-P energy: -24.139
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: 9, replica: 10
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -189.746431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.746431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.746431 (E_RNA)
where:
Base-Base interactions energy: -76.539
where: short stacking energy: -39.528
Base-Backbone interact. energy: -2.095
local terms energy: -111.112061
where:
bonds (distance) C4'-P energy: -32.173
bonds (distance) P-C4' energy: -28.658
flat angles C4'-P-C4' energy: -27.333
flat angles P-C4'-P energy: -21.952
tors. eta vs tors. theta energy: -0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -180.497521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.497521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.497521 (E_RNA)
where:
Base-Base interactions energy: -64.938
where: short stacking energy: -41.428
Base-Backbone interact. energy: 0.449
local terms energy: -116.009084
where:
bonds (distance) C4'-P energy: -38.778
bonds (distance) P-C4' energy: -35.634
flat angles C4'-P-C4' energy: -24.988
flat angles P-C4'-P energy: -22.878
tors. eta vs tors. theta energy: 6.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -674.429449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.429449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.429449 (E_RNA)
where:
Base-Base interactions energy: -481.291
where: short stacking energy: -192.825
Base-Backbone interact. energy: -2.039
local terms energy: -191.099832
where:
bonds (distance) C4'-P energy: -37.170
bonds (distance) P-C4' energy: -34.717
flat angles C4'-P-C4' energy: -37.729
flat angles P-C4'-P energy: -25.405
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: 2, replica: 1
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -663.427774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.427774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.427774 (E_RNA)
where:
Base-Base interactions energy: -460.992
where: short stacking energy: -187.798
Base-Backbone interact. energy: -0.039
local terms energy: -202.396868
where:
bonds (distance) C4'-P energy: -40.255
bonds (distance) P-C4' energy: -40.526
flat angles C4'-P-C4' energy: -44.625
flat angles P-C4'-P energy: -26.230
tors. eta vs tors. theta energy: -50.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -620.646700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.646700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.646700 (E_RNA)
where:
Base-Base interactions energy: -419.032
where: short stacking energy: -189.966
Base-Backbone interact. energy: -0.381
local terms energy: -201.234437
where:
bonds (distance) C4'-P energy: -33.530
bonds (distance) P-C4' energy: -39.670
flat angles C4'-P-C4' energy: -43.673
flat angles P-C4'-P energy: -30.858
tors. eta vs tors. theta energy: -53.504
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: 4, replica: 4
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -585.916663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.916663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.916663 (E_RNA)
where:
Base-Base interactions energy: -383.236
where: short stacking energy: -173.540
Base-Backbone interact. energy: -0.082
local terms energy: -202.598681
where:
bonds (distance) C4'-P energy: -38.592
bonds (distance) P-C4' energy: -47.460
flat angles C4'-P-C4' energy: -41.378
flat angles P-C4'-P energy: -25.972
tors. eta vs tors. theta energy: -49.197
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: 5, replica: 2
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -517.254490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.254490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.254490 (E_RNA)
where:
Base-Base interactions energy: -319.926
where: short stacking energy: -148.057
Base-Backbone interact. energy: -0.251
local terms energy: -197.077724
where:
bonds (distance) C4'-P energy: -35.975
bonds (distance) P-C4' energy: -44.090
flat angles C4'-P-C4' energy: -46.383
flat angles P-C4'-P energy: -23.549
tors. eta vs tors. theta energy: -47.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -492.411618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.411618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.411618 (E_RNA)
where:
Base-Base interactions energy: -324.596
where: short stacking energy: -144.517
Base-Backbone interact. energy: -0.579
local terms energy: -167.236282
where:
bonds (distance) C4'-P energy: -32.543
bonds (distance) P-C4' energy: -39.186
flat angles C4'-P-C4' energy: -37.340
flat angles P-C4'-P energy: -22.624
tors. eta vs tors. theta energy: -35.543
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: 383
Temperature: 1.200000
Total energy: -500.089573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.089573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.089573 (E_RNA)
where:
Base-Base interactions energy: -313.539
where: short stacking energy: -149.885
Base-Backbone interact. energy: -0.592
local terms energy: -185.958784
where:
bonds (distance) C4'-P energy: -32.808
bonds (distance) P-C4' energy: -35.409
flat angles C4'-P-C4' energy: -50.331
flat angles P-C4'-P energy: -19.334
tors. eta vs tors. theta energy: -48.077
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: 10
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -207.498925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.498925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.498925 (E_RNA)
where:
Base-Base interactions energy: -73.851
where: short stacking energy: -71.231
Base-Backbone interact. energy: -0.288
local terms energy: -133.359958
where:
bonds (distance) C4'-P energy: -32.803
bonds (distance) P-C4' energy: -36.077
flat angles C4'-P-C4' energy: -26.098
flat angles P-C4'-P energy: -31.099
tors. eta vs tors. theta energy: -7.283
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: 8
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -169.101749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.101749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.101749 (E_RNA)
where:
Base-Base interactions energy: -55.915
where: short stacking energy: -50.646
Base-Backbone interact. energy: -2.032
local terms energy: -111.154368
where:
bonds (distance) C4'-P energy: -29.271
bonds (distance) P-C4' energy: -30.704
flat angles C4'-P-C4' energy: -31.240
flat angles P-C4'-P energy: -21.109
tors. eta vs tors. theta energy: 1.169
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: 383
Temperature: 1.350000
Total energy: -166.194541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.194541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.194541 (E_RNA)
where:
Base-Base interactions energy: -47.520
where: short stacking energy: -43.279
Base-Backbone interact. energy: 0.297
local terms energy: -118.971060
where:
bonds (distance) C4'-P energy: -39.470
bonds (distance) P-C4' energy: -42.419
flat angles C4'-P-C4' energy: -26.736
flat angles P-C4'-P energy: -17.618
tors. eta vs tors. theta energy: 7.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -682.975947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.975947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.975947 (E_RNA)
where:
Base-Base interactions energy: -462.531
where: short stacking energy: -203.930
Base-Backbone interact. energy: 0.366
local terms energy: -220.811026
where:
bonds (distance) C4'-P energy: -42.804
bonds (distance) P-C4' energy: -41.783
flat angles C4'-P-C4' energy: -45.729
flat angles P-C4'-P energy: -31.915
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: 2, replica: 3
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -663.107911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.107911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.107911 (E_RNA)
where:
Base-Base interactions energy: -444.578
where: short stacking energy: -191.702
Base-Backbone interact. energy: -0.101
local terms energy: -218.429263
where:
bonds (distance) C4'-P energy: -39.940
bonds (distance) P-C4' energy: -43.837
flat angles C4'-P-C4' energy: -44.902
flat angles P-C4'-P energy: -29.003
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: 3, replica: 9
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -605.566670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.566670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.566670 (E_RNA)
where:
Base-Base interactions energy: -415.481
where: short stacking energy: -169.890
Base-Backbone interact. energy: -1.158
local terms energy: -188.927877
where:
bonds (distance) C4'-P energy: -31.842
bonds (distance) P-C4' energy: -34.959
flat angles C4'-P-C4' energy: -43.687
flat angles P-C4'-P energy: -27.903
tors. eta vs tors. theta energy: -50.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -587.497598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.497598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.497598 (E_RNA)
where:
Base-Base interactions energy: -400.010
where: short stacking energy: -161.380
Base-Backbone interact. energy: 1.293
local terms energy: -188.780762
where:
bonds (distance) C4'-P energy: -35.724
bonds (distance) P-C4' energy: -35.420
flat angles C4'-P-C4' energy: -38.840
flat angles P-C4'-P energy: -29.826
tors. eta vs tors. theta energy: -48.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -509.883462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.883462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.883462 (E_RNA)
where:
Base-Base interactions energy: -318.803
where: short stacking energy: -141.296
Base-Backbone interact. energy: -0.364
local terms energy: -190.716455
where:
bonds (distance) C4'-P energy: -32.105
bonds (distance) P-C4' energy: -43.660
flat angles C4'-P-C4' energy: -41.057
flat angles P-C4'-P energy: -38.013
tors. eta vs tors. theta energy: -35.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -495.617580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.617580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.617580 (E_RNA)
where:
Base-Base interactions energy: -316.067
where: short stacking energy: -164.282
Base-Backbone interact. energy: -0.149
local terms energy: -179.401426
where:
bonds (distance) C4'-P energy: -25.809
bonds (distance) P-C4' energy: -46.112
flat angles C4'-P-C4' energy: -37.809
flat angles P-C4'-P energy: -24.358
tors. eta vs tors. theta energy: -45.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -513.671774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.671774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.671774 (E_RNA)
where:
Base-Base interactions energy: -330.407
where: short stacking energy: -154.760
Base-Backbone interact. energy: 0.240
local terms energy: -183.504983
where:
bonds (distance) C4'-P energy: -39.124
bonds (distance) P-C4' energy: -33.581
flat angles C4'-P-C4' energy: -41.673
flat angles P-C4'-P energy: -23.786
tors. eta vs tors. theta energy: -45.341
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: 384
Temperature: 1.250000
Total energy: -189.864569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.864569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.864569 (E_RNA)
where:
Base-Base interactions energy: -74.368
where: short stacking energy: -46.109
Base-Backbone interact. energy: -0.485
local terms energy: -115.011481
where:
bonds (distance) C4'-P energy: -33.462
bonds (distance) P-C4' energy: -43.809
flat angles C4'-P-C4' energy: -30.106
flat angles P-C4'-P energy: -17.104
tors. eta vs tors. theta energy: 9.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -187.252591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.252591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.252591 (E_RNA)
where:
Base-Base interactions energy: -64.802
where: short stacking energy: -56.219
Base-Backbone interact. energy: -0.238
local terms energy: -122.212245
where:
bonds (distance) C4'-P energy: -23.180
bonds (distance) P-C4' energy: -30.177
flat angles C4'-P-C4' energy: -38.131
flat angles P-C4'-P energy: -26.080
tors. eta vs tors. theta energy: -4.645
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: 8
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -154.548783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.548783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.548783 (E_RNA)
where:
Base-Base interactions energy: -45.558
where: short stacking energy: -36.826
Base-Backbone interact. energy: -1.809
local terms energy: -107.182381
where:
bonds (distance) C4'-P energy: -35.124
bonds (distance) P-C4' energy: -30.663
flat angles C4'-P-C4' energy: -35.735
flat angles P-C4'-P energy: -18.355
tors. eta vs tors. theta energy: 12.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -679.057855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.057855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.057855 (E_RNA)
where:
Base-Base interactions energy: -468.433
where: short stacking energy: -209.456
Base-Backbone interact. energy: -1.221
local terms energy: -209.403224
where:
bonds (distance) C4'-P energy: -32.716
bonds (distance) P-C4' energy: -44.003
flat angles C4'-P-C4' energy: -43.047
flat angles P-C4'-P energy: -30.008
tors. eta vs tors. theta energy: -59.629
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: 2, replica: 3
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -650.608949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.608949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.608949 (E_RNA)
where:
Base-Base interactions energy: -461.528
where: short stacking energy: -180.691
Base-Backbone interact. energy: 2.449
local terms energy: -191.529317
where:
bonds (distance) C4'-P energy: -32.607
bonds (distance) P-C4' energy: -37.225
flat angles C4'-P-C4' energy: -41.093
flat angles P-C4'-P energy: -27.823
tors. eta vs tors. theta energy: -52.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -613.442409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.442409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.442409 (E_RNA)
where:
Base-Base interactions energy: -408.764
where: short stacking energy: -180.356
Base-Backbone interact. energy: -0.071
local terms energy: -204.607955
where:
bonds (distance) C4'-P energy: -36.699
bonds (distance) P-C4' energy: -38.369
flat angles C4'-P-C4' energy: -43.308
flat angles P-C4'-P energy: -29.305
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: 4, replica: 4
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -587.497397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.497397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.497397 (E_RNA)
where:
Base-Base interactions energy: -402.400
where: short stacking energy: -175.921
Base-Backbone interact. energy: -0.419
local terms energy: -184.678284
where:
bonds (distance) C4'-P energy: -32.891
bonds (distance) P-C4' energy: -36.405
flat angles C4'-P-C4' energy: -38.420
flat angles P-C4'-P energy: -26.580
tors. eta vs tors. theta energy: -50.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -501.520422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.520422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.520422 (E_RNA)
where:
Base-Base interactions energy: -339.670
where: short stacking energy: -151.103
Base-Backbone interact. energy: -1.858
local terms energy: -159.992703
where:
bonds (distance) C4'-P energy: -35.136
bonds (distance) P-C4' energy: -30.019
flat angles C4'-P-C4' energy: -34.439
flat angles P-C4'-P energy: -22.514
tors. eta vs tors. theta energy: -37.885
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: 2
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -508.069765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.069765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.069765 (E_RNA)
where:
Base-Base interactions energy: -327.427
where: short stacking energy: -160.505
Base-Backbone interact. energy: -1.970
local terms energy: -178.672270
where:
bonds (distance) C4'-P energy: -35.694
bonds (distance) P-C4' energy: -38.595
flat angles C4'-P-C4' energy: -41.097
flat angles P-C4'-P energy: -22.026
tors. eta vs tors. theta energy: -41.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -523.091656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.091656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.091656 (E_RNA)
where:
Base-Base interactions energy: -346.238
where: short stacking energy: -157.753
Base-Backbone interact. energy: 1.210
local terms energy: -178.063398
where:
bonds (distance) C4'-P energy: -31.096
bonds (distance) P-C4' energy: -36.170
flat angles C4'-P-C4' energy: -37.955
flat angles P-C4'-P energy: -24.742
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: 8, replica: 6
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -194.636114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.636114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.636114 (E_RNA)
where:
Base-Base interactions energy: -82.511
where: short stacking energy: -43.266
Base-Backbone interact. energy: -0.836
local terms energy: -111.289188
where:
bonds (distance) C4'-P energy: -29.640
bonds (distance) P-C4' energy: -38.566
flat angles C4'-P-C4' energy: -34.063
flat angles P-C4'-P energy: -16.498
tors. eta vs tors. theta energy: 7.477
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: 10
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -170.271412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.271412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.271412 (E_RNA)
where:
Base-Base interactions energy: -72.326
where: short stacking energy: -57.617
Base-Backbone interact. energy: -0.949
local terms energy: -96.995794
where:
bonds (distance) C4'-P energy: -29.299
bonds (distance) P-C4' energy: -21.843
flat angles C4'-P-C4' energy: -25.703
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -4.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -188.311722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.311722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.311722 (E_RNA)
where:
Base-Base interactions energy: -69.563
where: short stacking energy: -48.326
Base-Backbone interact. energy: -0.896
local terms energy: -117.852495
where:
bonds (distance) C4'-P energy: -25.566
bonds (distance) P-C4' energy: -43.278
flat angles C4'-P-C4' energy: -32.962
flat angles P-C4'-P energy: -19.466
tors. eta vs tors. theta energy: 3.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -666.830716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.830716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.830716 (E_RNA)
where:
Base-Base interactions energy: -457.669
where: short stacking energy: -193.812
Base-Backbone interact. energy: -1.557
local terms energy: -207.604843
where:
bonds (distance) C4'-P energy: -32.052
bonds (distance) P-C4' energy: -43.075
flat angles C4'-P-C4' energy: -46.157
flat angles P-C4'-P energy: -33.216
tors. eta vs tors. theta energy: -53.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -662.229012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.229012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.229012 (E_RNA)
where:
Base-Base interactions energy: -443.344
where: short stacking energy: -180.588
Base-Backbone interact. energy: 0.055
local terms energy: -218.939984
where:
bonds (distance) C4'-P energy: -37.591
bonds (distance) P-C4' energy: -45.775
flat angles C4'-P-C4' energy: -44.137
flat angles P-C4'-P energy: -36.733
tors. eta vs tors. theta energy: -54.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -584.169553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.169553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.169553 (E_RNA)
where:
Base-Base interactions energy: -387.504
where: short stacking energy: -171.878
Base-Backbone interact. energy: -0.629
local terms energy: -196.036222
where:
bonds (distance) C4'-P energy: -35.075
bonds (distance) P-C4' energy: -33.941
flat angles C4'-P-C4' energy: -43.207
flat angles P-C4'-P energy: -29.607
tors. eta vs tors. theta energy: -54.206
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: 4, replica: 9
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -615.059002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.059002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.059002 (E_RNA)
where:
Base-Base interactions energy: -419.903
where: short stacking energy: -180.017
Base-Backbone interact. energy: 4.649
local terms energy: -199.805129
where:
bonds (distance) C4'-P energy: -39.260
bonds (distance) P-C4' energy: -31.728
flat angles C4'-P-C4' energy: -39.237
flat angles P-C4'-P energy: -26.779
tors. eta vs tors. theta energy: -62.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -507.385585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.385585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.385585 (E_RNA)
where:
Base-Base interactions energy: -342.427
where: short stacking energy: -152.020
Base-Backbone interact. energy: -0.839
local terms energy: -164.119351
where:
bonds (distance) C4'-P energy: -36.403
bonds (distance) P-C4' energy: -39.747
flat angles C4'-P-C4' energy: -32.109
flat angles P-C4'-P energy: -17.255
tors. eta vs tors. theta energy: -38.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -498.115358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.115358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.115358 (E_RNA)
where:
Base-Base interactions energy: -313.110
where: short stacking energy: -147.862
Base-Backbone interact. energy: -0.309
local terms energy: -184.696324
where:
bonds (distance) C4'-P energy: -36.487
bonds (distance) P-C4' energy: -41.839
flat angles C4'-P-C4' energy: -37.316
flat angles P-C4'-P energy: -24.130
tors. eta vs tors. theta energy: -44.925
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: 386
Temperature: 1.200000
Total energy: -505.808172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.808172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.808172 (E_RNA)
where:
Base-Base interactions energy: -337.743
where: short stacking energy: -153.373
Base-Backbone interact. energy: 1.026
local terms energy: -169.091495
where:
bonds (distance) C4'-P energy: -28.325
bonds (distance) P-C4' energy: -34.751
flat angles C4'-P-C4' energy: -32.378
flat angles P-C4'-P energy: -27.849
tors. eta vs tors. theta energy: -45.788
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: 6
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -192.750839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.750839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.750839 (E_RNA)
where:
Base-Base interactions energy: -65.441
where: short stacking energy: -57.352
Base-Backbone interact. energy: -1.574
local terms energy: -125.735229
where:
bonds (distance) C4'-P energy: -32.354
bonds (distance) P-C4' energy: -33.895
flat angles C4'-P-C4' energy: -29.041
flat angles P-C4'-P energy: -27.741
tors. eta vs tors. theta energy: -2.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -192.420576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.420576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.420576 (E_RNA)
where:
Base-Base interactions energy: -77.520
where: short stacking energy: -63.868
Base-Backbone interact. energy: 0.017
local terms energy: -114.918198
where:
bonds (distance) C4'-P energy: -34.770
bonds (distance) P-C4' energy: -38.706
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -23.914
tors. eta vs tors. theta energy: -3.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -167.287209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.287209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.287209 (E_RNA)
where:
Base-Base interactions energy: -44.133
where: short stacking energy: -33.964
Base-Backbone interact. energy: 2.057
local terms energy: -125.211328
where:
bonds (distance) C4'-P energy: -38.103
bonds (distance) P-C4' energy: -38.182
flat angles C4'-P-C4' energy: -35.840
flat angles P-C4'-P energy: -25.203
tors. eta vs tors. theta energy: 12.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -676.605064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.605064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.605064 (E_RNA)
where:
Base-Base interactions energy: -462.900
where: short stacking energy: -203.671
Base-Backbone interact. energy: 0.679
local terms energy: -214.383838
where:
bonds (distance) C4'-P energy: -35.688
bonds (distance) P-C4' energy: -43.091
flat angles C4'-P-C4' energy: -43.931
flat angles P-C4'-P energy: -31.225
tors. eta vs tors. theta energy: -60.450
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: 3
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -654.271554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.271554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.271554 (E_RNA)
where:
Base-Base interactions energy: -451.817
where: short stacking energy: -190.715
Base-Backbone interact. energy: -0.579
local terms energy: -201.875060
where:
bonds (distance) C4'-P energy: -31.882
bonds (distance) P-C4' energy: -44.309
flat angles C4'-P-C4' energy: -41.626
flat angles P-C4'-P energy: -19.438
tors. eta vs tors. theta energy: -64.620
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: 3, replica: 4
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -592.782060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.782060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.782060 (E_RNA)
where:
Base-Base interactions energy: -397.732
where: short stacking energy: -176.876
Base-Backbone interact. energy: -0.326
local terms energy: -194.723510
where:
bonds (distance) C4'-P energy: -36.992
bonds (distance) P-C4' energy: -39.893
flat angles C4'-P-C4' energy: -34.205
flat angles P-C4'-P energy: -28.834
tors. eta vs tors. theta energy: -54.798
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: 9
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -596.305484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.305484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.305484 (E_RNA)
where:
Base-Base interactions energy: -407.084
where: short stacking energy: -161.902
Base-Backbone interact. energy: -0.593
local terms energy: -188.628081
where:
bonds (distance) C4'-P energy: -37.145
bonds (distance) P-C4' energy: -36.182
flat angles C4'-P-C4' energy: -43.184
flat angles P-C4'-P energy: -28.623
tors. eta vs tors. theta energy: -43.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -494.070148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.070148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.070148 (E_RNA)
where:
Base-Base interactions energy: -309.912
where: short stacking energy: -135.694
Base-Backbone interact. energy: 0.897
local terms energy: -185.054373
where:
bonds (distance) C4'-P energy: -38.440
bonds (distance) P-C4' energy: -42.375
flat angles C4'-P-C4' energy: -41.662
flat angles P-C4'-P energy: -27.561
tors. eta vs tors. theta energy: -35.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -557.115824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.115824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.115824 (E_RNA)
where:
Base-Base interactions energy: -356.977
where: short stacking energy: -176.412
Base-Backbone interact. energy: -0.277
local terms energy: -199.861925
where:
bonds (distance) C4'-P energy: -38.714
bonds (distance) P-C4' energy: -31.708
flat angles C4'-P-C4' energy: -44.442
flat angles P-C4'-P energy: -30.346
tors. eta vs tors. theta energy: -54.652
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: 2
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -476.530578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.530578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.530578 (E_RNA)
where:
Base-Base interactions energy: -316.551
where: short stacking energy: -157.081
Base-Backbone interact. energy: -0.089
local terms energy: -159.889758
where:
bonds (distance) C4'-P energy: -32.675
bonds (distance) P-C4' energy: -40.333
flat angles C4'-P-C4' energy: -29.828
flat angles P-C4'-P energy: -18.007
tors. eta vs tors. theta energy: -39.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -215.212585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.212585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.212585 (E_RNA)
where:
Base-Base interactions energy: -83.610
where: short stacking energy: -66.422
Base-Backbone interact. energy: -1.129
local terms energy: -130.473807
where:
bonds (distance) C4'-P energy: -35.700
bonds (distance) P-C4' energy: -32.773
flat angles C4'-P-C4' energy: -33.043
flat angles P-C4'-P energy: -25.760
tors. eta vs tors. theta energy: -3.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -177.392167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.392167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.392167 (E_RNA)
where:
Base-Base interactions energy: -51.257
where: short stacking energy: -49.419
Base-Backbone interact. energy: -0.779
local terms energy: -125.355864
where:
bonds (distance) C4'-P energy: -30.303
bonds (distance) P-C4' energy: -43.567
flat angles C4'-P-C4' energy: -29.148
flat angles P-C4'-P energy: -23.044
tors. eta vs tors. theta energy: 0.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -163.846281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.846281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.846281 (E_RNA)
where:
Base-Base interactions energy: -38.468
where: short stacking energy: -37.294
Base-Backbone interact. energy: -0.742
local terms energy: -124.636456
where:
bonds (distance) C4'-P energy: -45.772
bonds (distance) P-C4' energy: -37.598
flat angles C4'-P-C4' energy: -29.910
flat angles P-C4'-P energy: -14.403
tors. eta vs tors. theta energy: 3.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -695.056509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.056509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.056509 (E_RNA)
where:
Base-Base interactions energy: -479.257
where: short stacking energy: -205.484
Base-Backbone interact. energy: -1.127
local terms energy: -214.672773
where:
bonds (distance) C4'-P energy: -31.790
bonds (distance) P-C4' energy: -37.667
flat angles C4'-P-C4' energy: -47.904
flat angles P-C4'-P energy: -37.120
tors. eta vs tors. theta energy: -60.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -654.369524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.369524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.369524 (E_RNA)
where:
Base-Base interactions energy: -450.804
where: short stacking energy: -177.353
Base-Backbone interact. energy: -0.356
local terms energy: -203.209721
where:
bonds (distance) C4'-P energy: -35.364
bonds (distance) P-C4' energy: -45.771
flat angles C4'-P-C4' energy: -42.504
flat angles P-C4'-P energy: -23.695
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: 3, replica: 9
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -615.382715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.382715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.382715 (E_RNA)
where:
Base-Base interactions energy: -396.539
where: short stacking energy: -180.880
Base-Backbone interact. energy: -0.567
local terms energy: -218.276452
where:
bonds (distance) C4'-P energy: -40.300
bonds (distance) P-C4' energy: -44.909
flat angles C4'-P-C4' energy: -42.420
flat angles P-C4'-P energy: -32.205
tors. eta vs tors. theta energy: -58.442
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: 4
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -590.589511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.589511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.589511 (E_RNA)
where:
Base-Base interactions energy: -395.998
where: short stacking energy: -155.496
Base-Backbone interact. energy: -0.795
local terms energy: -193.796510
where:
bonds (distance) C4'-P energy: -40.345
bonds (distance) P-C4' energy: -35.026
flat angles C4'-P-C4' energy: -37.753
flat angles P-C4'-P energy: -31.228
tors. eta vs tors. theta energy: -49.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -560.358666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.358666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.358666 (E_RNA)
where:
Base-Base interactions energy: -370.295
where: short stacking energy: -176.949
Base-Backbone interact. energy: -0.138
local terms energy: -189.926096
where:
bonds (distance) C4'-P energy: -30.587
bonds (distance) P-C4' energy: -40.533
flat angles C4'-P-C4' energy: -36.722
flat angles P-C4'-P energy: -26.883
tors. eta vs tors. theta energy: -55.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -483.074008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.074008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.074008 (E_RNA)
where:
Base-Base interactions energy: -328.246
where: short stacking energy: -143.781
Base-Backbone interact. energy: -0.498
local terms energy: -154.329737
where:
bonds (distance) C4'-P energy: -27.381
bonds (distance) P-C4' energy: -31.084
flat angles C4'-P-C4' energy: -35.883
flat angles P-C4'-P energy: -28.779
tors. eta vs tors. theta energy: -31.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -490.628134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.628134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.628134 (E_RNA)
where:
Base-Base interactions energy: -317.225
where: short stacking energy: -142.440
Base-Backbone interact. energy: -0.318
local terms energy: -173.085153
where:
bonds (distance) C4'-P energy: -30.362
bonds (distance) P-C4' energy: -35.471
flat angles C4'-P-C4' energy: -35.661
flat angles P-C4'-P energy: -31.046
tors. eta vs tors. theta energy: -40.546
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: 388
Temperature: 1.250000
Total energy: -190.179981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.179981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.179981 (E_RNA)
where:
Base-Base interactions energy: -58.248
where: short stacking energy: -56.833
Base-Backbone interact. energy: 0.707
local terms energy: -132.638626
where:
bonds (distance) C4'-P energy: -35.658
bonds (distance) P-C4' energy: -34.634
flat angles C4'-P-C4' energy: -28.780
flat angles P-C4'-P energy: -23.417
tors. eta vs tors. theta energy: -10.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -181.933281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.933281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.933281 (E_RNA)
where:
Base-Base interactions energy: -61.778
where: short stacking energy: -47.541
Base-Backbone interact. energy: 0.654
local terms energy: -120.809317
where:
bonds (distance) C4'-P energy: -35.850
bonds (distance) P-C4' energy: -44.144
flat angles C4'-P-C4' energy: -29.693
flat angles P-C4'-P energy: -14.364
tors. eta vs tors. theta energy: 3.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -184.418807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.418807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.418807 (E_RNA)
where:
Base-Base interactions energy: -60.990
where: short stacking energy: -57.246
Base-Backbone interact. energy: -0.546
local terms energy: -122.883358
where:
bonds (distance) C4'-P energy: -34.004
bonds (distance) P-C4' energy: -39.675
flat angles C4'-P-C4' energy: -32.591
flat angles P-C4'-P energy: -22.133
tors. eta vs tors. theta energy: 5.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -686.533541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.533541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.533541 (E_RNA)
where:
Base-Base interactions energy: -461.800
where: short stacking energy: -210.704
Base-Backbone interact. energy: -1.050
local terms energy: -223.683974
where:
bonds (distance) C4'-P energy: -46.641
bonds (distance) P-C4' energy: -36.977
flat angles C4'-P-C4' energy: -46.727
flat angles P-C4'-P energy: -30.566
tors. eta vs tors. theta energy: -62.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -648.183477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.183477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.183477 (E_RNA)
where:
Base-Base interactions energy: -438.267
where: short stacking energy: -184.513
Base-Backbone interact. energy: -1.071
local terms energy: -208.845596
where:
bonds (distance) C4'-P energy: -38.809
bonds (distance) P-C4' energy: -41.140
flat angles C4'-P-C4' energy: -40.627
flat angles P-C4'-P energy: -32.495
tors. eta vs tors. theta energy: -55.774
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: 9
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -614.460746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.460746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.460746 (E_RNA)
where:
Base-Base interactions energy: -402.586
where: short stacking energy: -175.717
Base-Backbone interact. energy: -1.365
local terms energy: -210.510120
where:
bonds (distance) C4'-P energy: -41.228
bonds (distance) P-C4' energy: -45.479
flat angles C4'-P-C4' energy: -43.719
flat angles P-C4'-P energy: -22.806
tors. eta vs tors. theta energy: -57.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -603.985042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.985042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.985042 (E_RNA)
where:
Base-Base interactions energy: -389.223
where: short stacking energy: -164.423
Base-Backbone interact. energy: -0.298
local terms energy: -214.463976
where:
bonds (distance) C4'-P energy: -38.528
bonds (distance) P-C4' energy: -42.869
flat angles C4'-P-C4' energy: -43.619
flat angles P-C4'-P energy: -33.765
tors. eta vs tors. theta energy: -55.684
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: 7
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -545.105558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.105558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.105558 (E_RNA)
where:
Base-Base interactions energy: -347.299
where: short stacking energy: -173.246
Base-Backbone interact. energy: -1.332
local terms energy: -196.474923
where:
bonds (distance) C4'-P energy: -34.841
bonds (distance) P-C4' energy: -39.689
flat angles C4'-P-C4' energy: -40.902
flat angles P-C4'-P energy: -28.398
tors. eta vs tors. theta energy: -52.644
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: 389
Temperature: 1.150000
Total energy: -502.054709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.054709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.054709 (E_RNA)
where:
Base-Base interactions energy: -326.220
where: short stacking energy: -160.524
Base-Backbone interact. energy: -0.439
local terms energy: -175.395290
where:
bonds (distance) C4'-P energy: -38.034
bonds (distance) P-C4' energy: -36.188
flat angles C4'-P-C4' energy: -36.900
flat angles P-C4'-P energy: -27.041
tors. eta vs tors. theta energy: -37.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -481.549086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.549086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.549086 (E_RNA)
where:
Base-Base interactions energy: -310.973
where: short stacking energy: -136.271
Base-Backbone interact. energy: -0.977
local terms energy: -169.598953
where:
bonds (distance) C4'-P energy: -41.089
bonds (distance) P-C4' energy: -32.356
flat angles C4'-P-C4' energy: -39.569
flat angles P-C4'-P energy: -19.088
tors. eta vs tors. theta energy: -37.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -199.097834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.097834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.097834 (E_RNA)
where:
Base-Base interactions energy: -70.233
where: short stacking energy: -62.077
Base-Backbone interact. energy: -0.960
local terms energy: -127.904942
where:
bonds (distance) C4'-P energy: -30.623
bonds (distance) P-C4' energy: -40.077
flat angles C4'-P-C4' energy: -32.608
flat angles P-C4'-P energy: -21.467
tors. eta vs tors. theta energy: -3.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -181.774965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.774965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.774965 (E_RNA)
where:
Base-Base interactions energy: -62.407
where: short stacking energy: -55.981
Base-Backbone interact. energy: -0.323
local terms energy: -119.044656
where:
bonds (distance) C4'-P energy: -28.360
bonds (distance) P-C4' energy: -43.294
flat angles C4'-P-C4' energy: -28.922
flat angles P-C4'-P energy: -14.781
tors. eta vs tors. theta energy: -3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -164.511398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.511398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.511398 (E_RNA)
where:
Base-Base interactions energy: -54.504
where: short stacking energy: -42.323
Base-Backbone interact. energy: 0.704
local terms energy: -110.710981
where:
bonds (distance) C4'-P energy: -36.951
bonds (distance) P-C4' energy: -40.577
flat angles C4'-P-C4' energy: -32.252
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: 8.578
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: 390
Temperature: 0.900000
Total energy: -677.130058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.130058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.130058 (E_RNA)
where:
Base-Base interactions energy: -460.794
where: short stacking energy: -209.909
Base-Backbone interact. energy: -1.152
local terms energy: -215.184254
where:
bonds (distance) C4'-P energy: -39.450
bonds (distance) P-C4' energy: -44.277
flat angles C4'-P-C4' energy: -45.357
flat angles P-C4'-P energy: -24.663
tors. eta vs tors. theta energy: -61.437
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: 3
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -645.377967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.377967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.377967 (E_RNA)
where:
Base-Base interactions energy: -431.916
where: short stacking energy: -169.458
Base-Backbone interact. energy: -0.816
local terms energy: -212.645858
where:
bonds (distance) C4'-P energy: -42.086
bonds (distance) P-C4' energy: -40.120
flat angles C4'-P-C4' energy: -47.931
flat angles P-C4'-P energy: -31.385
tors. eta vs tors. theta energy: -51.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -608.191753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.191753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.191753 (E_RNA)
where:
Base-Base interactions energy: -406.895
where: short stacking energy: -178.236
Base-Backbone interact. energy: -0.201
local terms energy: -201.096276
where:
bonds (distance) C4'-P energy: -39.524
bonds (distance) P-C4' energy: -40.849
flat angles C4'-P-C4' energy: -39.868
flat angles P-C4'-P energy: -30.953
tors. eta vs tors. theta energy: -49.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -581.321524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.321524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.321524 (E_RNA)
where:
Base-Base interactions energy: -388.561
where: short stacking energy: -163.380
Base-Backbone interact. energy: -0.318
local terms energy: -192.443144
where:
bonds (distance) C4'-P energy: -33.960
bonds (distance) P-C4' energy: -39.545
flat angles C4'-P-C4' energy: -39.498
flat angles P-C4'-P energy: -27.351
tors. eta vs tors. theta energy: -52.089
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: 7
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -531.419462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.419462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.419462 (E_RNA)
where:
Base-Base interactions energy: -338.330
where: short stacking energy: -151.109
Base-Backbone interact. energy: 0.487
local terms energy: -193.576383
where:
bonds (distance) C4'-P energy: -35.790
bonds (distance) P-C4' energy: -38.174
flat angles C4'-P-C4' energy: -35.160
flat angles P-C4'-P energy: -35.766
tors. eta vs tors. theta energy: -48.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -507.443797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.443797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.443797 (E_RNA)
where:
Base-Base interactions energy: -333.144
where: short stacking energy: -149.040
Base-Backbone interact. energy: -1.183
local terms energy: -173.117363
where:
bonds (distance) C4'-P energy: -36.741
bonds (distance) P-C4' energy: -38.133
flat angles C4'-P-C4' energy: -33.386
flat angles P-C4'-P energy: -26.375
tors. eta vs tors. theta energy: -38.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -474.671943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.671943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.671943 (E_RNA)
where:
Base-Base interactions energy: -326.690
where: short stacking energy: -138.093
Base-Backbone interact. energy: -0.229
local terms energy: -147.753710
where:
bonds (distance) C4'-P energy: -21.054
bonds (distance) P-C4' energy: -34.581
flat angles C4'-P-C4' energy: -38.005
flat angles P-C4'-P energy: -22.654
tors. eta vs tors. theta energy: -31.460
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: 390
Temperature: 1.250000
Total energy: -218.257551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.257551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.257551 (E_RNA)
where:
Base-Base interactions energy: -87.833
where: short stacking energy: -65.266
Base-Backbone interact. energy: 0.662
local terms energy: -131.086984
where:
bonds (distance) C4'-P energy: -39.176
bonds (distance) P-C4' energy: -34.847
flat angles C4'-P-C4' energy: -26.929
flat angles P-C4'-P energy: -19.996
tors. eta vs tors. theta energy: -10.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -179.160524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.160524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.160524 (E_RNA)
where:
Base-Base interactions energy: -63.843
where: short stacking energy: -46.358
Base-Backbone interact. energy: -1.696
local terms energy: -113.621446
where:
bonds (distance) C4'-P energy: -34.642
bonds (distance) P-C4' energy: -36.454
flat angles C4'-P-C4' energy: -28.495
flat angles P-C4'-P energy: -15.842
tors. eta vs tors. theta energy: 1.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -172.071585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.071585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.071585 (E_RNA)
where:
Base-Base interactions energy: -76.792
where: short stacking energy: -60.079
Base-Backbone interact. energy: -1.033
local terms energy: -94.246901
where:
bonds (distance) C4'-P energy: -31.658
bonds (distance) P-C4' energy: -30.860
flat angles C4'-P-C4' energy: -25.936
flat angles P-C4'-P energy: -9.449
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: 1, replica: 1
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -675.884349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.884349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.884349 (E_RNA)
where:
Base-Base interactions energy: -453.471
where: short stacking energy: -209.324
Base-Backbone interact. energy: 0.023
local terms energy: -222.436126
where:
bonds (distance) C4'-P energy: -40.415
bonds (distance) P-C4' energy: -43.192
flat angles C4'-P-C4' energy: -42.571
flat angles P-C4'-P energy: -32.147
tors. eta vs tors. theta energy: -64.112
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: 2, replica: 3
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -644.574794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.574794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.574794 (E_RNA)
where:
Base-Base interactions energy: -440.202
where: short stacking energy: -162.652
Base-Backbone interact. energy: -0.660
local terms energy: -203.712306
where:
bonds (distance) C4'-P energy: -36.196
bonds (distance) P-C4' energy: -40.111
flat angles C4'-P-C4' energy: -40.770
flat angles P-C4'-P energy: -32.757
tors. eta vs tors. theta energy: -53.878
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: 3, replica: 9
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -612.978828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.978828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.978828 (E_RNA)
where:
Base-Base interactions energy: -402.732
where: short stacking energy: -181.011
Base-Backbone interact. energy: -0.099
local terms energy: -210.148338
where:
bonds (distance) C4'-P energy: -35.004
bonds (distance) P-C4' energy: -43.568
flat angles C4'-P-C4' energy: -44.538
flat angles P-C4'-P energy: -31.235
tors. eta vs tors. theta energy: -55.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -597.041314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.041314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.041314 (E_RNA)
where:
Base-Base interactions energy: -401.337
where: short stacking energy: -158.212
Base-Backbone interact. energy: 0.327
local terms energy: -196.031327
where:
bonds (distance) C4'-P energy: -31.796
bonds (distance) P-C4' energy: -45.408
flat angles C4'-P-C4' energy: -42.083
flat angles P-C4'-P energy: -28.093
tors. eta vs tors. theta energy: -48.652
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: 7
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -552.503756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.503756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.503756 (E_RNA)
where:
Base-Base interactions energy: -364.389
where: short stacking energy: -174.543
Base-Backbone interact. energy: -0.276
local terms energy: -187.837849
where:
bonds (distance) C4'-P energy: -34.217
bonds (distance) P-C4' energy: -37.439
flat angles C4'-P-C4' energy: -44.150
flat angles P-C4'-P energy: -26.937
tors. eta vs tors. theta energy: -45.095
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: 6, replica: 2
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -536.389656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.389656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.389656 (E_RNA)
where:
Base-Base interactions energy: -358.875
where: short stacking energy: -164.592
Base-Backbone interact. energy: -0.839
local terms energy: -176.676302
where:
bonds (distance) C4'-P energy: -33.030
bonds (distance) P-C4' energy: -33.584
flat angles C4'-P-C4' energy: -45.130
flat angles P-C4'-P energy: -20.971
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: 7, replica: 5
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -447.623578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.623578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.623578 (E_RNA)
where:
Base-Base interactions energy: -290.719
where: short stacking energy: -123.839
Base-Backbone interact. energy: -0.501
local terms energy: -156.403604
where:
bonds (distance) C4'-P energy: -33.894
bonds (distance) P-C4' energy: -38.683
flat angles C4'-P-C4' energy: -33.452
flat angles P-C4'-P energy: -23.259
tors. eta vs tors. theta energy: -27.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -194.596960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.596960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.596960 (E_RNA)
where:
Base-Base interactions energy: -78.530
where: short stacking energy: -59.747
Base-Backbone interact. energy: 3.421
local terms energy: -119.487816
where:
bonds (distance) C4'-P energy: -39.876
bonds (distance) P-C4' energy: -35.268
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -23.051
tors. eta vs tors. theta energy: -3.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -182.142819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.142819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.142819 (E_RNA)
where:
Base-Base interactions energy: -62.260
where: short stacking energy: -54.446
Base-Backbone interact. energy: -0.587
local terms energy: -119.295959
where:
bonds (distance) C4'-P energy: -25.316
bonds (distance) P-C4' energy: -40.023
flat angles C4'-P-C4' energy: -32.766
flat angles P-C4'-P energy: -21.524
tors. eta vs tors. theta energy: 0.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -177.151731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.151731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.151731 (E_RNA)
where:
Base-Base interactions energy: -68.441
where: short stacking energy: -64.835
Base-Backbone interact. energy: -1.066
local terms energy: -107.645634
where:
bonds (distance) C4'-P energy: -30.765
bonds (distance) P-C4' energy: -29.177
flat angles C4'-P-C4' energy: -24.286
flat angles P-C4'-P energy: -19.330
tors. eta vs tors. theta energy: -4.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -675.314131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.314131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.314131 (E_RNA)
where:
Base-Base interactions energy: -452.843
where: short stacking energy: -196.340
Base-Backbone interact. energy: 0.271
local terms energy: -222.742420
where:
bonds (distance) C4'-P energy: -43.772
bonds (distance) P-C4' energy: -37.066
flat angles C4'-P-C4' energy: -46.136
flat angles P-C4'-P energy: -33.791
tors. eta vs tors. theta energy: -61.978
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: 3
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -667.867988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.867988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.867988 (E_RNA)
where:
Base-Base interactions energy: -455.461
where: short stacking energy: -186.071
Base-Backbone interact. energy: 0.269
local terms energy: -212.675330
where:
bonds (distance) C4'-P energy: -40.471
bonds (distance) P-C4' energy: -41.496
flat angles C4'-P-C4' energy: -38.873
flat angles P-C4'-P energy: -30.305
tors. eta vs tors. theta energy: -61.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -611.173151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.173151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.173151 (E_RNA)
where:
Base-Base interactions energy: -420.386
where: short stacking energy: -163.335
Base-Backbone interact. energy: -0.592
local terms energy: -190.195233
where:
bonds (distance) C4'-P energy: -34.642
bonds (distance) P-C4' energy: -40.620
flat angles C4'-P-C4' energy: -37.186
flat angles P-C4'-P energy: -23.837
tors. eta vs tors. theta energy: -53.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -585.266360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.266360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.266360 (E_RNA)
where:
Base-Base interactions energy: -393.946
where: short stacking energy: -156.868
Base-Backbone interact. energy: -0.729
local terms energy: -190.591307
where:
bonds (distance) C4'-P energy: -37.025
bonds (distance) P-C4' energy: -36.291
flat angles C4'-P-C4' energy: -41.945
flat angles P-C4'-P energy: -27.014
tors. eta vs tors. theta energy: -48.317
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: 7
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -546.457708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.457708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.457708 (E_RNA)
where:
Base-Base interactions energy: -361.871
where: short stacking energy: -167.300
Base-Backbone interact. energy: -0.554
local terms energy: -184.032759
where:
bonds (distance) C4'-P energy: -31.066
bonds (distance) P-C4' energy: -36.629
flat angles C4'-P-C4' energy: -39.045
flat angles P-C4'-P energy: -27.609
tors. eta vs tors. theta energy: -49.684
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: 2
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -520.640930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.640930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.640930 (E_RNA)
where:
Base-Base interactions energy: -340.296
where: short stacking energy: -157.108
Base-Backbone interact. energy: -0.405
local terms energy: -179.939793
where:
bonds (distance) C4'-P energy: -31.799
bonds (distance) P-C4' energy: -32.884
flat angles C4'-P-C4' energy: -40.417
flat angles P-C4'-P energy: -26.564
tors. eta vs tors. theta energy: -48.276
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: 5
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -450.236273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.236273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.236273 (E_RNA)
where:
Base-Base interactions energy: -297.490
where: short stacking energy: -133.106
Base-Backbone interact. energy: -0.327
local terms energy: -152.419229
where:
bonds (distance) C4'-P energy: -34.057
bonds (distance) P-C4' energy: -25.356
flat angles C4'-P-C4' energy: -37.015
flat angles P-C4'-P energy: -28.427
tors. eta vs tors. theta energy: -27.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -184.588467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.588467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.588467 (E_RNA)
where:
Base-Base interactions energy: -63.211
where: short stacking energy: -52.757
Base-Backbone interact. energy: -0.800
local terms energy: -120.577981
where:
bonds (distance) C4'-P energy: -33.593
bonds (distance) P-C4' energy: -35.380
flat angles C4'-P-C4' energy: -37.631
flat angles P-C4'-P energy: -13.396
tors. eta vs tors. theta energy: -0.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -176.033319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.033319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.033319 (E_RNA)
where:
Base-Base interactions energy: -56.457
where: short stacking energy: -48.915
Base-Backbone interact. energy: 0.068
local terms energy: -119.643713
where:
bonds (distance) C4'-P energy: -33.068
bonds (distance) P-C4' energy: -40.493
flat angles C4'-P-C4' energy: -27.746
flat angles P-C4'-P energy: -19.707
tors. eta vs tors. theta energy: 1.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -165.109082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.109082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.109082 (E_RNA)
where:
Base-Base interactions energy: -65.366
where: short stacking energy: -53.906
Base-Backbone interact. energy: -0.262
local terms energy: -99.481101
where:
bonds (distance) C4'-P energy: -29.695
bonds (distance) P-C4' energy: -37.279
flat angles C4'-P-C4' energy: -25.150
flat angles P-C4'-P energy: -5.658
tors. eta vs tors. theta energy: -1.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -673.513207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.513207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.513207 (E_RNA)
where:
Base-Base interactions energy: -453.235
where: short stacking energy: -197.897
Base-Backbone interact. energy: -1.367
local terms energy: -218.911303
where:
bonds (distance) C4'-P energy: -44.248
bonds (distance) P-C4' energy: -36.651
flat angles C4'-P-C4' energy: -42.782
flat angles P-C4'-P energy: -35.150
tors. eta vs tors. theta energy: -60.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -670.060399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.060399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.060399 (E_RNA)
where:
Base-Base interactions energy: -457.583
where: short stacking energy: -187.622
Base-Backbone interact. energy: 0.392
local terms energy: -212.868882
where:
bonds (distance) C4'-P energy: -41.798
bonds (distance) P-C4' energy: -34.088
flat angles C4'-P-C4' energy: -41.950
flat angles P-C4'-P energy: -33.836
tors. eta vs tors. theta energy: -61.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -621.722004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.722004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.722004 (E_RNA)
where:
Base-Base interactions energy: -427.729
where: short stacking energy: -187.304
Base-Backbone interact. energy: -0.362
local terms energy: -193.630959
where:
bonds (distance) C4'-P energy: -36.860
bonds (distance) P-C4' energy: -42.013
flat angles C4'-P-C4' energy: -37.430
flat angles P-C4'-P energy: -19.344
tors. eta vs tors. theta energy: -57.984
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: 9
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -589.129566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.129566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.129566 (E_RNA)
where:
Base-Base interactions energy: -405.163
where: short stacking energy: -157.573
Base-Backbone interact. energy: -0.206
local terms energy: -183.760294
where:
bonds (distance) C4'-P energy: -31.349
bonds (distance) P-C4' energy: -34.099
flat angles C4'-P-C4' energy: -37.680
flat angles P-C4'-P energy: -28.704
tors. eta vs tors. theta energy: -51.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -548.549128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.549128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.549128 (E_RNA)
where:
Base-Base interactions energy: -347.826
where: short stacking energy: -170.219
Base-Backbone interact. energy: -0.058
local terms energy: -200.665063
where:
bonds (distance) C4'-P energy: -42.890
bonds (distance) P-C4' energy: -43.112
flat angles C4'-P-C4' energy: -36.619
flat angles P-C4'-P energy: -30.240
tors. eta vs tors. theta energy: -47.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -543.378601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.378601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.378601 (E_RNA)
where:
Base-Base interactions energy: -361.308
where: short stacking energy: -172.929
Base-Backbone interact. energy: -0.663
local terms energy: -181.407942
where:
bonds (distance) C4'-P energy: -30.800
bonds (distance) P-C4' energy: -36.151
flat angles C4'-P-C4' energy: -35.300
flat angles P-C4'-P energy: -26.511
tors. eta vs tors. theta energy: -52.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -465.534117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.534117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.534117 (E_RNA)
where:
Base-Base interactions energy: -302.572
where: short stacking energy: -133.352
Base-Backbone interact. energy: -0.062
local terms energy: -162.899785
where:
bonds (distance) C4'-P energy: -29.950
bonds (distance) P-C4' energy: -28.353
flat angles C4'-P-C4' energy: -39.251
flat angles P-C4'-P energy: -26.884
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: 8, replica: 10
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -192.773911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.773911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.773911 (E_RNA)
where:
Base-Base interactions energy: -57.656
where: short stacking energy: -48.811
Base-Backbone interact. energy: -1.161
local terms energy: -133.956251
where:
bonds (distance) C4'-P energy: -37.011
bonds (distance) P-C4' energy: -43.206
flat angles C4'-P-C4' energy: -32.064
flat angles P-C4'-P energy: -24.774
tors. eta vs tors. theta energy: 3.099
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: 8
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -185.329119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.329119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.329119 (E_RNA)
where:
Base-Base interactions energy: -74.509
where: short stacking energy: -45.698
Base-Backbone interact. energy: -0.533
local terms energy: -110.286689
where:
bonds (distance) C4'-P energy: -38.975
bonds (distance) P-C4' energy: -33.008
flat angles C4'-P-C4' energy: -25.509
flat angles P-C4'-P energy: -23.390
tors. eta vs tors. theta energy: 10.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -168.673284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.673284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.673284 (E_RNA)
where:
Base-Base interactions energy: -58.093
where: short stacking energy: -31.897
Base-Backbone interact. energy: 3.369
local terms energy: -113.949099
where:
bonds (distance) C4'-P energy: -36.022
bonds (distance) P-C4' energy: -33.307
flat angles C4'-P-C4' energy: -28.001
flat angles P-C4'-P energy: -19.235
tors. eta vs tors. theta energy: 2.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -676.044888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.044888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.044888 (E_RNA)
where:
Base-Base interactions energy: -468.916
where: short stacking energy: -191.964
Base-Backbone interact. energy: 0.290
local terms energy: -207.419268
where:
bonds (distance) C4'-P energy: -37.980
bonds (distance) P-C4' energy: -43.872
flat angles C4'-P-C4' energy: -38.808
flat angles P-C4'-P energy: -31.786
tors. eta vs tors. theta energy: -54.973
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: 3
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -657.678926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.678926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.678926 (E_RNA)
where:
Base-Base interactions energy: -451.022
where: short stacking energy: -177.242
Base-Backbone interact. energy: -0.721
local terms energy: -205.936574
where:
bonds (distance) C4'-P energy: -36.111
bonds (distance) P-C4' energy: -34.768
flat angles C4'-P-C4' energy: -43.699
flat angles P-C4'-P energy: -35.182
tors. eta vs tors. theta energy: -56.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -592.364271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.364271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.364271 (E_RNA)
where:
Base-Base interactions energy: -393.681
where: short stacking energy: -173.312
Base-Backbone interact. energy: -0.163
local terms energy: -198.519865
where:
bonds (distance) C4'-P energy: -44.704
bonds (distance) P-C4' energy: -33.647
flat angles C4'-P-C4' energy: -41.208
flat angles P-C4'-P energy: -24.806
tors. eta vs tors. theta energy: -54.155
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: 4
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -607.605297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.605297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.605297 (E_RNA)
where:
Base-Base interactions energy: -405.004
where: short stacking energy: -167.035
Base-Backbone interact. energy: -0.044
local terms energy: -202.557844
where:
bonds (distance) C4'-P energy: -38.374
bonds (distance) P-C4' energy: -40.464
flat angles C4'-P-C4' energy: -42.447
flat angles P-C4'-P energy: -28.288
tors. eta vs tors. theta energy: -52.985
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: 2
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -547.957531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.957531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.957531 (E_RNA)
where:
Base-Base interactions energy: -349.912
where: short stacking energy: -169.242
Base-Backbone interact. energy: -0.329
local terms energy: -197.716521
where:
bonds (distance) C4'-P energy: -34.324
bonds (distance) P-C4' energy: -38.021
flat angles C4'-P-C4' energy: -42.033
flat angles P-C4'-P energy: -29.122
tors. eta vs tors. theta energy: -54.217
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: 7
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -535.506440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.506440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.506440 (E_RNA)
where:
Base-Base interactions energy: -346.063
where: short stacking energy: -178.488
Base-Backbone interact. energy: -0.179
local terms energy: -189.264753
where:
bonds (distance) C4'-P energy: -36.282
bonds (distance) P-C4' energy: -28.353
flat angles C4'-P-C4' energy: -37.019
flat angles P-C4'-P energy: -32.870
tors. eta vs tors. theta energy: -54.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -473.030324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.030324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.030324 (E_RNA)
where:
Base-Base interactions energy: -298.926
where: short stacking energy: -125.118
Base-Backbone interact. energy: -0.462
local terms energy: -173.642386
where:
bonds (distance) C4'-P energy: -34.028
bonds (distance) P-C4' energy: -46.188
flat angles C4'-P-C4' energy: -37.094
flat angles P-C4'-P energy: -28.209
tors. eta vs tors. theta energy: -28.124
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: 10
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -184.028497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.028497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.028497 (E_RNA)
where:
Base-Base interactions energy: -64.824
where: short stacking energy: -33.396
Base-Backbone interact. energy: -1.123
local terms energy: -118.080845
where:
bonds (distance) C4'-P energy: -32.676
bonds (distance) P-C4' energy: -37.839
flat angles C4'-P-C4' energy: -27.701
flat angles P-C4'-P energy: -23.996
tors. eta vs tors. theta energy: 4.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -229.764066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.764066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.764066 (E_RNA)
where:
Base-Base interactions energy: -92.220
where: short stacking energy: -51.425
Base-Backbone interact. energy: -1.629
local terms energy: -135.915256
where:
bonds (distance) C4'-P energy: -41.335
bonds (distance) P-C4' energy: -38.618
flat angles C4'-P-C4' energy: -33.531
flat angles P-C4'-P energy: -20.935
tors. eta vs tors. theta energy: -1.497
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: 10, replica: 8
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -160.879710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.879710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.879710 (E_RNA)
where:
Base-Base interactions energy: -44.759
where: short stacking energy: -44.759
Base-Backbone interact. energy: -0.511
local terms energy: -115.608823
where:
bonds (distance) C4'-P energy: -27.066
bonds (distance) P-C4' energy: -39.470
flat angles C4'-P-C4' energy: -26.969
flat angles P-C4'-P energy: -17.583
tors. eta vs tors. theta energy: -4.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -667.668317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.668317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.668317 (E_RNA)
where:
Base-Base interactions energy: -451.515
where: short stacking energy: -193.419
Base-Backbone interact. energy: -0.494
local terms energy: -215.658917
where:
bonds (distance) C4'-P energy: -40.461
bonds (distance) P-C4' energy: -39.839
flat angles C4'-P-C4' energy: -45.033
flat angles P-C4'-P energy: -31.781
tors. eta vs tors. theta energy: -58.545
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: 3
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -653.275207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.275207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.275207 (E_RNA)
where:
Base-Base interactions energy: -449.307
where: short stacking energy: -190.692
Base-Backbone interact. energy: -0.129
local terms energy: -203.839864
where:
bonds (distance) C4'-P energy: -38.209
bonds (distance) P-C4' energy: -36.968
flat angles C4'-P-C4' energy: -40.297
flat angles P-C4'-P energy: -31.958
tors. eta vs tors. theta energy: -56.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -594.366200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.366200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.366200 (E_RNA)
where:
Base-Base interactions energy: -385.730
where: short stacking energy: -177.443
Base-Backbone interact. energy: -0.342
local terms energy: -208.294078
where:
bonds (distance) C4'-P energy: -41.268
bonds (distance) P-C4' energy: -35.462
flat angles C4'-P-C4' energy: -40.939
flat angles P-C4'-P energy: -37.154
tors. eta vs tors. theta energy: -53.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -608.865546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.865546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.865546 (E_RNA)
where:
Base-Base interactions energy: -407.401
where: short stacking energy: -169.662
Base-Backbone interact. energy: -0.295
local terms energy: -201.169810
where:
bonds (distance) C4'-P energy: -37.416
bonds (distance) P-C4' energy: -41.090
flat angles C4'-P-C4' energy: -39.926
flat angles P-C4'-P energy: -27.380
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: 2
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -561.572716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.572716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.572716 (E_RNA)
where:
Base-Base interactions energy: -368.342
where: short stacking energy: -180.018
Base-Backbone interact. energy: -0.169
local terms energy: -193.061362
where:
bonds (distance) C4'-P energy: -31.317
bonds (distance) P-C4' energy: -37.944
flat angles C4'-P-C4' energy: -36.250
flat angles P-C4'-P energy: -31.037
tors. eta vs tors. theta energy: -56.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -506.706819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.706819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.706819 (E_RNA)
where:
Base-Base interactions energy: -348.019
where: short stacking energy: -146.849
Base-Backbone interact. energy: 1.087
local terms energy: -159.774265
where:
bonds (distance) C4'-P energy: -31.963
bonds (distance) P-C4' energy: -38.643
flat angles C4'-P-C4' energy: -29.793
flat angles P-C4'-P energy: -19.075
tors. eta vs tors. theta energy: -40.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -539.285197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.285197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.285197 (E_RNA)
where:
Base-Base interactions energy: -342.088
where: short stacking energy: -163.034
Base-Backbone interact. energy: 0.315
local terms energy: -197.512280
where:
bonds (distance) C4'-P energy: -33.830
bonds (distance) P-C4' energy: -42.009
flat angles C4'-P-C4' energy: -42.264
flat angles P-C4'-P energy: -26.442
tors. eta vs tors. theta energy: -52.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -238.036786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.036786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.036786 (E_RNA)
where:
Base-Base interactions energy: -106.010
where: short stacking energy: -76.126
Base-Backbone interact. energy: 0.283
local terms energy: -132.310054
where:
bonds (distance) C4'-P energy: -36.314
bonds (distance) P-C4' energy: -27.465
flat angles C4'-P-C4' energy: -36.414
flat angles P-C4'-P energy: -21.150
tors. eta vs tors. theta energy: -10.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -186.284433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.284433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.284433 (E_RNA)
where:
Base-Base interactions energy: -72.801
where: short stacking energy: -43.803
Base-Backbone interact. energy: -1.172
local terms energy: -112.311736
where:
bonds (distance) C4'-P energy: -41.019
bonds (distance) P-C4' energy: -31.489
flat angles C4'-P-C4' energy: -26.100
flat angles P-C4'-P energy: -16.087
tors. eta vs tors. theta energy: 2.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -163.668314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.668314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.668314 (E_RNA)
where:
Base-Base interactions energy: -60.721
where: short stacking energy: -47.508
Base-Backbone interact. energy: 0.844
local terms energy: -103.791754
where:
bonds (distance) C4'-P energy: -41.093
bonds (distance) P-C4' energy: -30.029
flat angles C4'-P-C4' energy: -24.588
flat angles P-C4'-P energy: -19.440
tors. eta vs tors. theta energy: 11.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -670.458942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.458942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.458942 (E_RNA)
where:
Base-Base interactions energy: -458.703
where: short stacking energy: -190.368
Base-Backbone interact. energy: -1.478
local terms energy: -210.278063
where:
bonds (distance) C4'-P energy: -33.808
bonds (distance) P-C4' energy: -46.123
flat angles C4'-P-C4' energy: -46.160
flat angles P-C4'-P energy: -24.719
tors. eta vs tors. theta energy: -59.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -676.490169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.490169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.490169 (E_RNA)
where:
Base-Base interactions energy: -459.540
where: short stacking energy: -202.058
Base-Backbone interact. energy: -0.369
local terms energy: -216.581125
where:
bonds (distance) C4'-P energy: -42.996
bonds (distance) P-C4' energy: -41.598
flat angles C4'-P-C4' energy: -47.283
flat angles P-C4'-P energy: -27.945
tors. eta vs tors. theta energy: -56.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -619.680345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.680345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.680345 (E_RNA)
where:
Base-Base interactions energy: -414.346
where: short stacking energy: -166.765
Base-Backbone interact. energy: -0.107
local terms energy: -205.227479
where:
bonds (distance) C4'-P energy: -40.846
bonds (distance) P-C4' energy: -38.904
flat angles C4'-P-C4' energy: -46.569
flat angles P-C4'-P energy: -28.466
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: 4, replica: 9
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -571.383281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.383281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.383281 (E_RNA)
where:
Base-Base interactions energy: -378.604
where: short stacking energy: -159.173
Base-Backbone interact. energy: -0.422
local terms energy: -192.357516
where:
bonds (distance) C4'-P energy: -37.716
bonds (distance) P-C4' energy: -41.019
flat angles C4'-P-C4' energy: -40.990
flat angles P-C4'-P energy: -23.759
tors. eta vs tors. theta energy: -48.873
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: 5, replica: 5
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -530.235260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.235260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.235260 (E_RNA)
where:
Base-Base interactions energy: -340.508
where: short stacking energy: -147.001
Base-Backbone interact. energy: -1.269
local terms energy: -188.458145
where:
bonds (distance) C4'-P energy: -41.734
bonds (distance) P-C4' energy: -46.125
flat angles C4'-P-C4' energy: -35.022
flat angles P-C4'-P energy: -24.361
tors. eta vs tors. theta energy: -41.216
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: 2
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -537.019245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.019245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.019245 (E_RNA)
where:
Base-Base interactions energy: -358.061
where: short stacking energy: -155.106
Base-Backbone interact. energy: -0.439
local terms energy: -178.519269
where:
bonds (distance) C4'-P energy: -33.419
bonds (distance) P-C4' energy: -33.720
flat angles C4'-P-C4' energy: -43.952
flat angles P-C4'-P energy: -22.242
tors. eta vs tors. theta energy: -45.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -516.266652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.266652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.266652 (E_RNA)
where:
Base-Base interactions energy: -339.827
where: short stacking energy: -160.834
Base-Backbone interact. energy: -0.440
local terms energy: -176.000101
where:
bonds (distance) C4'-P energy: -33.935
bonds (distance) P-C4' energy: -34.491
flat angles C4'-P-C4' energy: -38.416
flat angles P-C4'-P energy: -20.207
tors. eta vs tors. theta energy: -48.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -201.242829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.242829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.242829 (E_RNA)
where:
Base-Base interactions energy: -78.744
where: short stacking energy: -68.850
Base-Backbone interact. energy: 0.384
local terms energy: -122.882728
where:
bonds (distance) C4'-P energy: -31.538
bonds (distance) P-C4' energy: -40.319
flat angles C4'-P-C4' energy: -40.366
flat angles P-C4'-P energy: -14.480
tors. eta vs tors. theta energy: 3.820
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: 8
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -181.782252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.782252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.782252 (E_RNA)
where:
Base-Base interactions energy: -70.892
where: short stacking energy: -53.728
Base-Backbone interact. energy: -1.140
local terms energy: -109.750221
where:
bonds (distance) C4'-P energy: -30.499
bonds (distance) P-C4' energy: -28.685
flat angles C4'-P-C4' energy: -36.386
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -3.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -178.586477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.586477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.586477 (E_RNA)
where:
Base-Base interactions energy: -65.094
where: short stacking energy: -48.956
Base-Backbone interact. energy: -0.059
local terms energy: -113.433902
where:
bonds (distance) C4'-P energy: -30.641
bonds (distance) P-C4' energy: -37.721
flat angles C4'-P-C4' energy: -26.497
flat angles P-C4'-P energy: -17.098
tors. eta vs tors. theta energy: -1.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -685.352336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.352336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.352336 (E_RNA)
where:
Base-Base interactions energy: -462.142
where: short stacking energy: -186.585
Base-Backbone interact. energy: -0.758
local terms energy: -222.452889
where:
bonds (distance) C4'-P energy: -46.505
bonds (distance) P-C4' energy: -42.284
flat angles C4'-P-C4' energy: -44.969
flat angles P-C4'-P energy: -28.985
tors. eta vs tors. theta energy: -59.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -663.037250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.037250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.037250 (E_RNA)
where:
Base-Base interactions energy: -458.715
where: short stacking energy: -209.863
Base-Backbone interact. energy: -1.808
local terms energy: -202.514671
where:
bonds (distance) C4'-P energy: -41.517
bonds (distance) P-C4' energy: -32.024
flat angles C4'-P-C4' energy: -41.655
flat angles P-C4'-P energy: -27.516
tors. eta vs tors. theta energy: -59.802
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: 4
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -609.414782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.414782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.414782 (E_RNA)
where:
Base-Base interactions energy: -404.166
where: short stacking energy: -167.717
Base-Backbone interact. energy: 0.703
local terms energy: -205.951445
where:
bonds (distance) C4'-P energy: -43.217
bonds (distance) P-C4' energy: -39.992
flat angles C4'-P-C4' energy: -39.320
flat angles P-C4'-P energy: -29.025
tors. eta vs tors. theta energy: -54.397
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: 9
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -597.794727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.794727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.794727 (E_RNA)
where:
Base-Base interactions energy: -400.222
where: short stacking energy: -169.735
Base-Backbone interact. energy: 0.093
local terms energy: -197.665478
where:
bonds (distance) C4'-P energy: -35.530
bonds (distance) P-C4' energy: -41.171
flat angles C4'-P-C4' energy: -41.473
flat angles P-C4'-P energy: -23.604
tors. eta vs tors. theta energy: -55.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -561.286876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.286876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.286876 (E_RNA)
where:
Base-Base interactions energy: -369.740
where: short stacking energy: -160.889
Base-Backbone interact. energy: -0.127
local terms energy: -191.420679
where:
bonds (distance) C4'-P energy: -34.133
bonds (distance) P-C4' energy: -37.178
flat angles C4'-P-C4' energy: -42.806
flat angles P-C4'-P energy: -28.102
tors. eta vs tors. theta energy: -49.202
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: 397
Temperature: 1.150000
Total energy: -532.623628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.623628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.623628 (E_RNA)
where:
Base-Base interactions energy: -350.248
where: short stacking energy: -172.402
Base-Backbone interact. energy: -0.693
local terms energy: -181.683206
where:
bonds (distance) C4'-P energy: -34.854
bonds (distance) P-C4' energy: -30.975
flat angles C4'-P-C4' energy: -36.263
flat angles P-C4'-P energy: -23.142
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: 7, replica: 7
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -501.778799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.778799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.778799 (E_RNA)
where:
Base-Base interactions energy: -321.553
where: short stacking energy: -145.987
Base-Backbone interact. energy: 2.046
local terms energy: -182.271483
where:
bonds (distance) C4'-P energy: -32.523
bonds (distance) P-C4' energy: -35.823
flat angles C4'-P-C4' energy: -39.537
flat angles P-C4'-P energy: -30.882
tors. eta vs tors. theta energy: -43.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -191.981670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.981670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.981670 (E_RNA)
where:
Base-Base interactions energy: -62.340
where: short stacking energy: -55.851
Base-Backbone interact. energy: -0.185
local terms energy: -129.456816
where:
bonds (distance) C4'-P energy: -36.130
bonds (distance) P-C4' energy: -34.861
flat angles C4'-P-C4' energy: -28.188
flat angles P-C4'-P energy: -17.988
tors. eta vs tors. theta energy: -12.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -173.671867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.671867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.671867 (E_RNA)
where:
Base-Base interactions energy: -68.229
where: short stacking energy: -44.356
Base-Backbone interact. energy: -0.721
local terms energy: -104.722120
where:
bonds (distance) C4'-P energy: -35.176
bonds (distance) P-C4' energy: -36.249
flat angles C4'-P-C4' energy: -25.709
flat angles P-C4'-P energy: -22.754
tors. eta vs tors. theta energy: 15.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -194.122372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.122372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.122372 (E_RNA)
where:
Base-Base interactions energy: -70.138
where: short stacking energy: -51.103
Base-Backbone interact. energy: -0.947
local terms energy: -123.037866
where:
bonds (distance) C4'-P energy: -30.395
bonds (distance) P-C4' energy: -38.116
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -24.832
tors. eta vs tors. theta energy: -12.917
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: 1, replica: 1
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -670.553468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.553468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.553468 (E_RNA)
where:
Base-Base interactions energy: -461.345
where: short stacking energy: -201.652
Base-Backbone interact. energy: -0.589
local terms energy: -208.619234
where:
bonds (distance) C4'-P energy: -34.230
bonds (distance) P-C4' energy: -36.555
flat angles C4'-P-C4' energy: -46.406
flat angles P-C4'-P energy: -29.857
tors. eta vs tors. theta energy: -61.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -659.730330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.730330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.730330 (E_RNA)
where:
Base-Base interactions energy: -453.544
where: short stacking energy: -197.088
Base-Backbone interact. energy: -0.389
local terms energy: -205.796955
where:
bonds (distance) C4'-P energy: -39.790
bonds (distance) P-C4' energy: -38.481
flat angles C4'-P-C4' energy: -45.549
flat angles P-C4'-P energy: -20.274
tors. eta vs tors. theta energy: -61.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -608.218971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.218971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.218971 (E_RNA)
where:
Base-Base interactions energy: -410.742
where: short stacking energy: -179.490
Base-Backbone interact. energy: -0.020
local terms energy: -197.456883
where:
bonds (distance) C4'-P energy: -34.072
bonds (distance) P-C4' energy: -39.957
flat angles C4'-P-C4' energy: -39.032
flat angles P-C4'-P energy: -28.410
tors. eta vs tors. theta energy: -55.985
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: 4, replica: 4
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -599.269922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.269922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.269922 (E_RNA)
where:
Base-Base interactions energy: -398.843
where: short stacking energy: -166.309
Base-Backbone interact. energy: 1.391
local terms energy: -201.817911
where:
bonds (distance) C4'-P energy: -28.520
bonds (distance) P-C4' energy: -37.458
flat angles C4'-P-C4' energy: -47.811
flat angles P-C4'-P energy: -28.077
tors. eta vs tors. theta energy: -59.953
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: 5, replica: 5
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -561.037771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.037771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.037771 (E_RNA)
where:
Base-Base interactions energy: -370.663
where: short stacking energy: -153.421
Base-Backbone interact. energy: -0.375
local terms energy: -189.999551
where:
bonds (distance) C4'-P energy: -41.902
bonds (distance) P-C4' energy: -38.268
flat angles C4'-P-C4' energy: -36.810
flat angles P-C4'-P energy: -27.702
tors. eta vs tors. theta energy: -45.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -518.916565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.916565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.916565 (E_RNA)
where:
Base-Base interactions energy: -340.600
where: short stacking energy: -167.776
Base-Backbone interact. energy: -0.440
local terms energy: -177.876549
where:
bonds (distance) C4'-P energy: -33.097
bonds (distance) P-C4' energy: -30.079
flat angles C4'-P-C4' energy: -39.259
flat angles P-C4'-P energy: -23.684
tors. eta vs tors. theta energy: -51.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -481.880527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.880527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.880527 (E_RNA)
where:
Base-Base interactions energy: -309.206
where: short stacking energy: -149.700
Base-Backbone interact. energy: -0.552
local terms energy: -172.122212
where:
bonds (distance) C4'-P energy: -21.424
bonds (distance) P-C4' energy: -37.141
flat angles C4'-P-C4' energy: -41.148
flat angles P-C4'-P energy: -27.753
tors. eta vs tors. theta energy: -44.657
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: 8, replica: 8
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -196.588520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.588520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.588520 (E_RNA)
where:
Base-Base interactions energy: -67.418
where: short stacking energy: -54.138
Base-Backbone interact. energy: -0.530
local terms energy: -128.640290
where:
bonds (distance) C4'-P energy: -32.826
bonds (distance) P-C4' energy: -42.840
flat angles C4'-P-C4' energy: -35.450
flat angles P-C4'-P energy: -18.982
tors. eta vs tors. theta energy: 1.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -185.998480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.998480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.998480 (E_RNA)
where:
Base-Base interactions energy: -62.609
where: short stacking energy: -57.196
Base-Backbone interact. energy: -0.278
local terms energy: -123.111246
where:
bonds (distance) C4'-P energy: -31.601
bonds (distance) P-C4' energy: -44.631
flat angles C4'-P-C4' energy: -31.764
flat angles P-C4'-P energy: -15.139
tors. eta vs tors. theta energy: 0.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -176.034264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.034264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.034264 (E_RNA)
where:
Base-Base interactions energy: -73.065
where: short stacking energy: -55.931
Base-Backbone interact. energy: 0.179
local terms energy: -103.148592
where:
bonds (distance) C4'-P energy: -31.401
bonds (distance) P-C4' energy: -38.343
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -16.057
tors. eta vs tors. theta energy: 0.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -679.018731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.018731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.018731 (E_RNA)
where:
Base-Base interactions energy: -468.013
where: short stacking energy: -207.233
Base-Backbone interact. energy: -1.540
local terms energy: -209.465908
where:
bonds (distance) C4'-P energy: -32.641
bonds (distance) P-C4' energy: -34.050
flat angles C4'-P-C4' energy: -41.321
flat angles P-C4'-P energy: -37.664
tors. eta vs tors. theta energy: -63.790
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: 3
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -670.840272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.840272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.840272 (E_RNA)
where:
Base-Base interactions energy: -450.490
where: short stacking energy: -193.052
Base-Backbone interact. energy: -0.638
local terms energy: -219.713176
where:
bonds (distance) C4'-P energy: -37.780
bonds (distance) P-C4' energy: -43.747
flat angles C4'-P-C4' energy: -41.629
flat angles P-C4'-P energy: -32.848
tors. eta vs tors. theta energy: -63.709
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: 3, replica: 9
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -618.336412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.336412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.336412 (E_RNA)
where:
Base-Base interactions energy: -410.864
where: short stacking energy: -176.984
Base-Backbone interact. energy: -0.426
local terms energy: -207.046785
where:
bonds (distance) C4'-P energy: -41.321
bonds (distance) P-C4' energy: -41.361
flat angles C4'-P-C4' energy: -43.137
flat angles P-C4'-P energy: -23.715
tors. eta vs tors. theta energy: -57.513
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: 4
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -600.235798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.235798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.235798 (E_RNA)
where:
Base-Base interactions energy: -400.098
where: short stacking energy: -164.828
Base-Backbone interact. energy: -0.100
local terms energy: -200.037863
where:
bonds (distance) C4'-P energy: -37.310
bonds (distance) P-C4' energy: -36.735
flat angles C4'-P-C4' energy: -42.926
flat angles P-C4'-P energy: -33.173
tors. eta vs tors. theta energy: -49.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -535.637851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.637851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.637851 (E_RNA)
where:
Base-Base interactions energy: -366.923
where: short stacking energy: -156.974
Base-Backbone interact. energy: -0.237
local terms energy: -168.477903
where:
bonds (distance) C4'-P energy: -37.300
bonds (distance) P-C4' energy: -34.056
flat angles C4'-P-C4' energy: -33.977
flat angles P-C4'-P energy: -19.966
tors. eta vs tors. theta energy: -43.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -520.483159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.483159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.483159 (E_RNA)
where:
Base-Base interactions energy: -332.185
where: short stacking energy: -155.395
Base-Backbone interact. energy: -0.540
local terms energy: -187.757858
where:
bonds (distance) C4'-P energy: -28.068
bonds (distance) P-C4' energy: -38.843
flat angles C4'-P-C4' energy: -39.581
flat angles P-C4'-P energy: -30.081
tors. eta vs tors. theta energy: -51.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -510.048988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.048988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.048988 (E_RNA)
where:
Base-Base interactions energy: -322.080
where: short stacking energy: -154.648
Base-Backbone interact. energy: -0.640
local terms energy: -187.329542
where:
bonds (distance) C4'-P energy: -32.568
bonds (distance) P-C4' energy: -39.232
flat angles C4'-P-C4' energy: -45.648
flat angles P-C4'-P energy: -23.116
tors. eta vs tors. theta energy: -46.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -214.058325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.058325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.058325 (E_RNA)
where:
Base-Base interactions energy: -95.937
where: short stacking energy: -65.594
Base-Backbone interact. energy: 2.917
local terms energy: -121.038496
where:
bonds (distance) C4'-P energy: -33.500
bonds (distance) P-C4' energy: -34.790
flat angles C4'-P-C4' energy: -41.626
flat angles P-C4'-P energy: -17.131
tors. eta vs tors. theta energy: 6.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -179.689570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.689570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.689570 (E_RNA)
where:
Base-Base interactions energy: -64.976
where: short stacking energy: -61.447
Base-Backbone interact. energy: -0.772
local terms energy: -113.941046
where:
bonds (distance) C4'-P energy: -28.078
bonds (distance) P-C4' energy: -38.985
flat angles C4'-P-C4' energy: -28.637
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -3.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -171.193868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.193868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.193868 (E_RNA)
where:
Base-Base interactions energy: -57.565
where: short stacking energy: -55.065
Base-Backbone interact. energy: 1.358
local terms energy: -114.986751
where:
bonds (distance) C4'-P energy: -36.130
bonds (distance) P-C4' energy: -32.283
flat angles C4'-P-C4' energy: -30.562
flat angles P-C4'-P energy: -19.650
tors. eta vs tors. theta energy: 3.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -682.632818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.632818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.632818 (E_RNA)
where:
Base-Base interactions energy: -462.288
where: short stacking energy: -184.282
Base-Backbone interact. energy: -1.311
local terms energy: -219.033332
where:
bonds (distance) C4'-P energy: -37.017
bonds (distance) P-C4' energy: -45.528
flat angles C4'-P-C4' energy: -46.343
flat angles P-C4'-P energy: -28.047
tors. eta vs tors. theta energy: -62.098
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: 1
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -663.679112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.679112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.679112 (E_RNA)
where:
Base-Base interactions energy: -457.896
where: short stacking energy: -198.403
Base-Backbone interact. energy: 1.165
local terms energy: -206.948358
where:
bonds (distance) C4'-P energy: -37.887
bonds (distance) P-C4' energy: -34.880
flat angles C4'-P-C4' energy: -38.324
flat angles P-C4'-P energy: -34.881
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: 3, replica: 9
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -606.696166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.696166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.696166 (E_RNA)
where:
Base-Base interactions energy: -398.828
where: short stacking energy: -163.006
Base-Backbone interact. energy: -0.064
local terms energy: -207.804357
where:
bonds (distance) C4'-P energy: -40.337
bonds (distance) P-C4' energy: -37.140
flat angles C4'-P-C4' energy: -45.418
flat angles P-C4'-P energy: -31.700
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: 4
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -601.807531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.807531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.807531 (E_RNA)
where:
Base-Base interactions energy: -397.203
where: short stacking energy: -164.360
Base-Backbone interact. energy: -0.237
local terms energy: -204.367632
where:
bonds (distance) C4'-P energy: -41.190
bonds (distance) P-C4' energy: -36.044
flat angles C4'-P-C4' energy: -43.586
flat angles P-C4'-P energy: -32.887
tors. eta vs tors. theta energy: -50.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -541.915925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.915925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.915925 (E_RNA)
where:
Base-Base interactions energy: -342.751
where: short stacking energy: -176.254
Base-Backbone interact. energy: -0.333
local terms energy: -198.831508
where:
bonds (distance) C4'-P energy: -34.872
bonds (distance) P-C4' energy: -43.285
flat angles C4'-P-C4' energy: -37.488
flat angles P-C4'-P energy: -29.738
tors. eta vs tors. theta energy: -53.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -487.239946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.239946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.239946 (E_RNA)
where:
Base-Base interactions energy: -343.627
where: short stacking energy: -135.242
Base-Backbone interact. energy: 1.802
local terms energy: -145.414939
where:
bonds (distance) C4'-P energy: -23.308
bonds (distance) P-C4' energy: -23.306
flat angles C4'-P-C4' energy: -36.652
flat angles P-C4'-P energy: -22.719
tors. eta vs tors. theta energy: -39.429
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: 7, replica: 2
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -495.216092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.216092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.216092 (E_RNA)
where:
Base-Base interactions energy: -319.102
where: short stacking energy: -148.535
Base-Backbone interact. energy: 0.983
local terms energy: -177.096608
where:
bonds (distance) C4'-P energy: -31.303
bonds (distance) P-C4' energy: -39.386
flat angles C4'-P-C4' energy: -33.424
flat angles P-C4'-P energy: -25.793
tors. eta vs tors. theta energy: -47.191
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: 400
Temperature: 1.250000
Total energy: -210.966008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.966008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.966008 (E_RNA)
where:
Base-Base interactions energy: -87.469
where: short stacking energy: -63.918
Base-Backbone interact. energy: 1.373
local terms energy: -124.870177
where:
bonds (distance) C4'-P energy: -27.051
bonds (distance) P-C4' energy: -41.903
flat angles C4'-P-C4' energy: -33.398
flat angles P-C4'-P energy: -20.451
tors. eta vs tors. theta energy: -2.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -176.922647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.922647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.922647 (E_RNA)
where:
Base-Base interactions energy: -63.829
where: short stacking energy: -36.577
Base-Backbone interact. energy: -0.408
local terms energy: -112.685904
where:
bonds (distance) C4'-P energy: -37.404
bonds (distance) P-C4' energy: -44.279
flat angles C4'-P-C4' energy: -22.643
flat angles P-C4'-P energy: -20.112
tors. eta vs tors. theta energy: 11.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -174.980172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.980172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.980172 (E_RNA)
where:
Base-Base interactions energy: -57.841
where: short stacking energy: -53.399
Base-Backbone interact. energy: -0.158
local terms energy: -116.981747
where:
bonds (distance) C4'-P energy: -37.343
bonds (distance) P-C4' energy: -38.285
flat angles C4'-P-C4' energy: -28.692
flat angles P-C4'-P energy: -18.122
tors. eta vs tors. theta energy: 5.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -674.826633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.826633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.826633 (E_RNA)
where:
Base-Base interactions energy: -464.850
where: short stacking energy: -197.311
Base-Backbone interact. energy: 0.345
local terms energy: -210.321971
where:
bonds (distance) C4'-P energy: -39.049
bonds (distance) P-C4' energy: -31.499
flat angles C4'-P-C4' energy: -44.859
flat angles P-C4'-P energy: -29.659
tors. eta vs tors. theta energy: -65.256
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: 2, replica: 1
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -667.794922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.794922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.794922 (E_RNA)
where:
Base-Base interactions energy: -474.219
where: short stacking energy: -216.652
Base-Backbone interact. energy: 7.121
local terms energy: -200.697400
where:
bonds (distance) C4'-P energy: -26.761
bonds (distance) P-C4' energy: -35.262
flat angles C4'-P-C4' energy: -45.224
flat angles P-C4'-P energy: -30.999
tors. eta vs tors. theta energy: -62.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -607.600522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.600522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.600522 (E_RNA)
where:
Base-Base interactions energy: -401.838
where: short stacking energy: -165.386
Base-Backbone interact. energy: -0.217
local terms energy: -205.545821
where:
bonds (distance) C4'-P energy: -42.365
bonds (distance) P-C4' energy: -39.086
flat angles C4'-P-C4' energy: -48.187
flat angles P-C4'-P energy: -27.731
tors. eta vs tors. theta energy: -48.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -567.737402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.737402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.737402 (E_RNA)
where:
Base-Base interactions energy: -370.162
where: short stacking energy: -194.111
Base-Backbone interact. energy: -0.012
local terms energy: -197.562986
where:
bonds (distance) C4'-P energy: -36.640
bonds (distance) P-C4' energy: -32.777
flat angles C4'-P-C4' energy: -44.076
flat angles P-C4'-P energy: -25.415
tors. eta vs tors. theta energy: -58.654
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: 5, replica: 4
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -567.039084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.039084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.039084 (E_RNA)
where:
Base-Base interactions energy: -382.162
where: short stacking energy: -149.559
Base-Backbone interact. energy: -0.198
local terms energy: -184.679175
where:
bonds (distance) C4'-P energy: -33.220
bonds (distance) P-C4' energy: -40.687
flat angles C4'-P-C4' energy: -38.197
flat angles P-C4'-P energy: -28.453
tors. eta vs tors. theta energy: -44.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -531.870136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.870136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.870136 (E_RNA)
where:
Base-Base interactions energy: -337.814
where: short stacking energy: -157.491
Base-Backbone interact. energy: 0.410
local terms energy: -194.465494
where:
bonds (distance) C4'-P energy: -33.752
bonds (distance) P-C4' energy: -42.457
flat angles C4'-P-C4' energy: -37.590
flat angles P-C4'-P energy: -32.334
tors. eta vs tors. theta energy: -48.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -491.209951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.209951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.209951 (E_RNA)
where:
Base-Base interactions energy: -304.541
where: short stacking energy: -130.265
Base-Backbone interact. energy: -2.295
local terms energy: -184.373719
where:
bonds (distance) C4'-P energy: -36.453
bonds (distance) P-C4' energy: -39.277
flat angles C4'-P-C4' energy: -38.740
flat angles P-C4'-P energy: -33.170
tors. eta vs tors. theta energy: -36.734
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: 10
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -185.867472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.867472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.867472 (E_RNA)
where:
Base-Base interactions energy: -63.200
where: short stacking energy: -57.198
Base-Backbone interact. energy: -0.921
local terms energy: -121.746129
where:
bonds (distance) C4'-P energy: -36.195
bonds (distance) P-C4' energy: -44.639
flat angles C4'-P-C4' energy: -23.950
flat angles P-C4'-P energy: -18.954
tors. eta vs tors. theta energy: 1.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -185.035721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.035721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.035721 (E_RNA)
where:
Base-Base interactions energy: -65.525
where: short stacking energy: -37.288
Base-Backbone interact. energy: 1.006
local terms energy: -120.516713
where:
bonds (distance) C4'-P energy: -31.797
bonds (distance) P-C4' energy: -36.129
flat angles C4'-P-C4' energy: -37.495
flat angles P-C4'-P energy: -19.173
tors. eta vs tors. theta energy: 4.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -196.469864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.469864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.469864 (E_RNA)
where:
Base-Base interactions energy: -87.545
where: short stacking energy: -61.301
Base-Backbone interact. energy: -0.541
local terms energy: -108.383325
where:
bonds (distance) C4'-P energy: -34.859
bonds (distance) P-C4' energy: -31.306
flat angles C4'-P-C4' energy: -29.956
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -2.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -677.333218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.333218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.333218 (E_RNA)
where:
Base-Base interactions energy: -455.903
where: short stacking energy: -203.738
Base-Backbone interact. energy: -1.278
local terms energy: -220.151942
where:
bonds (distance) C4'-P energy: -35.309
bonds (distance) P-C4' energy: -44.667
flat angles C4'-P-C4' energy: -44.907
flat angles P-C4'-P energy: -30.851
tors. eta vs tors. theta energy: -64.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -665.273662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.273662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.273662 (E_RNA)
where:
Base-Base interactions energy: -458.047
where: short stacking energy: -196.451
Base-Backbone interact. energy: -0.536
local terms energy: -206.690998
where:
bonds (distance) C4'-P energy: -36.173
bonds (distance) P-C4' energy: -32.595
flat angles C4'-P-C4' energy: -40.584
flat angles P-C4'-P energy: -32.528
tors. eta vs tors. theta energy: -64.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -597.421196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.421196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.421196 (E_RNA)
where:
Base-Base interactions energy: -400.896
where: short stacking energy: -175.422
Base-Backbone interact. energy: -1.128
local terms energy: -195.397283
where:
bonds (distance) C4'-P energy: -33.535
bonds (distance) P-C4' energy: -38.007
flat angles C4'-P-C4' energy: -38.254
flat angles P-C4'-P energy: -32.898
tors. eta vs tors. theta energy: -52.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -552.598272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.598272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.598272 (E_RNA)
where:
Base-Base interactions energy: -353.067
where: short stacking energy: -178.628
Base-Backbone interact. energy: -0.654
local terms energy: -198.877232
where:
bonds (distance) C4'-P energy: -38.522
bonds (distance) P-C4' energy: -35.568
flat angles C4'-P-C4' energy: -44.025
flat angles P-C4'-P energy: -20.361
tors. eta vs tors. theta energy: -60.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -554.900349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.900349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.900349 (E_RNA)
where:
Base-Base interactions energy: -350.509
where: short stacking energy: -163.820
Base-Backbone interact. energy: -0.396
local terms energy: -203.995372
where:
bonds (distance) C4'-P energy: -41.038
bonds (distance) P-C4' energy: -39.581
flat angles C4'-P-C4' energy: -46.523
flat angles P-C4'-P energy: -29.335
tors. eta vs tors. theta energy: -47.519
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: 4
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -551.917751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.917751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.917751 (E_RNA)
where:
Base-Base interactions energy: -371.791
where: short stacking energy: -157.355
Base-Backbone interact. energy: 0.784
local terms energy: -180.911314
where:
bonds (distance) C4'-P energy: -27.027
bonds (distance) P-C4' energy: -40.424
flat angles C4'-P-C4' energy: -37.111
flat angles P-C4'-P energy: -28.673
tors. eta vs tors. theta energy: -47.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -451.800213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.800213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.800213 (E_RNA)
where:
Base-Base interactions energy: -292.396
where: short stacking energy: -133.583
Base-Backbone interact. energy: 0.199
local terms energy: -159.602952
where:
bonds (distance) C4'-P energy: -35.032
bonds (distance) P-C4' energy: -34.106
flat angles C4'-P-C4' energy: -37.707
flat angles P-C4'-P energy: -22.395
tors. eta vs tors. theta energy: -30.363
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: 8, replica: 10
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -200.742265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.742265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.742265 (E_RNA)
where:
Base-Base interactions energy: -75.183
where: short stacking energy: -66.156
Base-Backbone interact. energy: -0.598
local terms energy: -124.960663
where:
bonds (distance) C4'-P energy: -30.019
bonds (distance) P-C4' energy: -44.112
flat angles C4'-P-C4' energy: -22.181
flat angles P-C4'-P energy: -18.720
tors. eta vs tors. theta energy: -9.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -197.989307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.989307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.989307 (E_RNA)
where:
Base-Base interactions energy: -96.859
where: short stacking energy: -73.292
Base-Backbone interact. energy: 0.145
local terms energy: -101.275569
where:
bonds (distance) C4'-P energy: -27.128
bonds (distance) P-C4' energy: -27.528
flat angles C4'-P-C4' energy: -31.201
flat angles P-C4'-P energy: -15.825
tors. eta vs tors. theta energy: 0.406
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: 402
Temperature: 1.350000
Total energy: -175.912728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.912728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.912728 (E_RNA)
where:
Base-Base interactions energy: -63.389
where: short stacking energy: -56.444
Base-Backbone interact. energy: -0.034
local terms energy: -112.489910
where:
bonds (distance) C4'-P energy: -32.156
bonds (distance) P-C4' energy: -33.418
flat angles C4'-P-C4' energy: -28.177
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -5.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -684.333203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.333203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.333203 (E_RNA)
where:
Base-Base interactions energy: -456.893
where: short stacking energy: -208.498
Base-Backbone interact. energy: -0.326
local terms energy: -227.114410
where:
bonds (distance) C4'-P energy: -38.606
bonds (distance) P-C4' energy: -41.399
flat angles C4'-P-C4' energy: -47.193
flat angles P-C4'-P energy: -35.498
tors. eta vs tors. theta energy: -64.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -667.257690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.257690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.257690 (E_RNA)
where:
Base-Base interactions energy: -447.085
where: short stacking energy: -184.332
Base-Backbone interact. energy: -0.621
local terms energy: -219.551842
where:
bonds (distance) C4'-P energy: -38.312
bonds (distance) P-C4' energy: -39.771
flat angles C4'-P-C4' energy: -44.698
flat angles P-C4'-P energy: -33.418
tors. eta vs tors. theta energy: -63.352
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: 3, replica: 9
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -599.046422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.046422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.046422 (E_RNA)
where:
Base-Base interactions energy: -397.301
where: short stacking energy: -173.020
Base-Backbone interact. energy: -0.544
local terms energy: -201.201408
where:
bonds (distance) C4'-P energy: -39.458
bonds (distance) P-C4' energy: -38.847
flat angles C4'-P-C4' energy: -40.899
flat angles P-C4'-P energy: -27.231
tors. eta vs tors. theta energy: -54.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -581.859609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.859609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.859609 (E_RNA)
where:
Base-Base interactions energy: -374.725
where: short stacking energy: -185.644
Base-Backbone interact. energy: -1.593
local terms energy: -205.541977
where:
bonds (distance) C4'-P energy: -47.240
bonds (distance) P-C4' energy: -34.836
flat angles C4'-P-C4' energy: -40.933
flat angles P-C4'-P energy: -31.268
tors. eta vs tors. theta energy: -51.266
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: 7
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -523.421911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.421911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.421911 (E_RNA)
where:
Base-Base interactions energy: -333.885
where: short stacking energy: -168.199
Base-Backbone interact. energy: -0.932
local terms energy: -188.605156
where:
bonds (distance) C4'-P energy: -37.104
bonds (distance) P-C4' energy: -30.939
flat angles C4'-P-C4' energy: -42.182
flat angles P-C4'-P energy: -28.904
tors. eta vs tors. theta energy: -49.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -529.761711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.761711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.761711 (E_RNA)
where:
Base-Base interactions energy: -351.887
where: short stacking energy: -148.329
Base-Backbone interact. energy: -0.216
local terms energy: -177.659326
where:
bonds (distance) C4'-P energy: -33.785
bonds (distance) P-C4' energy: -34.136
flat angles C4'-P-C4' energy: -45.053
flat angles P-C4'-P energy: -27.371
tors. eta vs tors. theta energy: -37.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -459.108926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.108926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.108926 (E_RNA)
where:
Base-Base interactions energy: -315.028
where: short stacking energy: -121.859
Base-Backbone interact. energy: 0.019
local terms energy: -144.099822
where:
bonds (distance) C4'-P energy: -41.855
bonds (distance) P-C4' energy: -29.944
flat angles C4'-P-C4' energy: -35.998
flat angles P-C4'-P energy: -6.298
tors. eta vs tors. theta energy: -30.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -199.078533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.078533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.078533 (E_RNA)
where:
Base-Base interactions energy: -81.332
where: short stacking energy: -58.410
Base-Backbone interact. energy: -0.379
local terms energy: -117.367903
where:
bonds (distance) C4'-P energy: -35.090
bonds (distance) P-C4' energy: -40.830
flat angles C4'-P-C4' energy: -29.139
flat angles P-C4'-P energy: -14.567
tors. eta vs tors. theta energy: 2.258
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: 9, replica: 10
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -186.379153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.379153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.379153 (E_RNA)
where:
Base-Base interactions energy: -63.624
where: short stacking energy: -62.786
Base-Backbone interact. energy: -1.200
local terms energy: -121.554913
where:
bonds (distance) C4'-P energy: -35.789
bonds (distance) P-C4' energy: -31.834
flat angles C4'-P-C4' energy: -31.438
flat angles P-C4'-P energy: -20.457
tors. eta vs tors. theta energy: -2.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -187.885581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.885581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.885581 (E_RNA)
where:
Base-Base interactions energy: -64.977
where: short stacking energy: -62.686
Base-Backbone interact. energy: -0.857
local terms energy: -122.051861
where:
bonds (distance) C4'-P energy: -34.138
bonds (distance) P-C4' energy: -30.628
flat angles C4'-P-C4' energy: -27.802
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -7.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -685.587993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.587993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.587993 (E_RNA)
where:
Base-Base interactions energy: -469.745
where: short stacking energy: -187.308
Base-Backbone interact. energy: -0.011
local terms energy: -215.831947
where:
bonds (distance) C4'-P energy: -38.471
bonds (distance) P-C4' energy: -44.013
flat angles C4'-P-C4' energy: -41.418
flat angles P-C4'-P energy: -29.083
tors. eta vs tors. theta energy: -62.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -673.426937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.426937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.426937 (E_RNA)
where:
Base-Base interactions energy: -454.754
where: short stacking energy: -197.276
Base-Backbone interact. energy: -1.031
local terms energy: -217.642610
where:
bonds (distance) C4'-P energy: -42.665
bonds (distance) P-C4' energy: -40.249
flat angles C4'-P-C4' energy: -39.461
flat angles P-C4'-P energy: -33.833
tors. eta vs tors. theta energy: -61.433
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: 9
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -594.369001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.369001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.369001 (E_RNA)
where:
Base-Base interactions energy: -416.002
where: short stacking energy: -171.116
Base-Backbone interact. energy: -0.989
local terms energy: -177.377294
where:
bonds (distance) C4'-P energy: -36.114
bonds (distance) P-C4' energy: -37.204
flat angles C4'-P-C4' energy: -36.836
flat angles P-C4'-P energy: -26.706
tors. eta vs tors. theta energy: -40.517
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: 2
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -563.896954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.896954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.896954 (E_RNA)
where:
Base-Base interactions energy: -352.209
where: short stacking energy: -184.279
Base-Backbone interact. energy: 0.119
local terms energy: -211.807518
where:
bonds (distance) C4'-P energy: -32.143
bonds (distance) P-C4' energy: -43.286
flat angles C4'-P-C4' energy: -42.212
flat angles P-C4'-P energy: -34.301
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: 5, replica: 7
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -515.866956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.866956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.866956 (E_RNA)
where:
Base-Base interactions energy: -324.457
where: short stacking energy: -155.230
Base-Backbone interact. energy: -1.232
local terms energy: -190.177460
where:
bonds (distance) C4'-P energy: -38.091
bonds (distance) P-C4' energy: -41.945
flat angles C4'-P-C4' energy: -38.416
flat angles P-C4'-P energy: -28.695
tors. eta vs tors. theta energy: -43.030
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: 6, replica: 4
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -524.948889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.948889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.948889 (E_RNA)
where:
Base-Base interactions energy: -356.484
where: short stacking energy: -145.073
Base-Backbone interact. energy: -0.401
local terms energy: -168.064352
where:
bonds (distance) C4'-P energy: -30.452
bonds (distance) P-C4' energy: -35.795
flat angles C4'-P-C4' energy: -31.181
flat angles P-C4'-P energy: -26.587
tors. eta vs tors. theta energy: -44.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -421.625350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.625350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.625350 (E_RNA)
where:
Base-Base interactions energy: -259.731
where: short stacking energy: -111.544
Base-Backbone interact. energy: -1.439
local terms energy: -160.455222
where:
bonds (distance) C4'-P energy: -35.650
bonds (distance) P-C4' energy: -31.890
flat angles C4'-P-C4' energy: -39.367
flat angles P-C4'-P energy: -23.837
tors. eta vs tors. theta energy: -29.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -212.884249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.884249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.884249 (E_RNA)
where:
Base-Base interactions energy: -92.626
where: short stacking energy: -44.151
Base-Backbone interact. energy: 1.163
local terms energy: -121.421347
where:
bonds (distance) C4'-P energy: -28.018
bonds (distance) P-C4' energy: -35.271
flat angles C4'-P-C4' energy: -29.813
flat angles P-C4'-P energy: -25.808
tors. eta vs tors. theta energy: -2.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -174.105116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.105116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.105116 (E_RNA)
where:
Base-Base interactions energy: -56.075
where: short stacking energy: -40.506
Base-Backbone interact. energy: -1.033
local terms energy: -116.996387
where:
bonds (distance) C4'-P energy: -30.847
bonds (distance) P-C4' energy: -30.500
flat angles C4'-P-C4' energy: -34.520
flat angles P-C4'-P energy: -21.420
tors. eta vs tors. theta energy: 0.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -171.936186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.936186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.936186 (E_RNA)
where:
Base-Base interactions energy: -45.780
where: short stacking energy: -39.567
Base-Backbone interact. energy: -2.211
local terms energy: -123.944937
where:
bonds (distance) C4'-P energy: -41.452
bonds (distance) P-C4' energy: -41.135
flat angles C4'-P-C4' energy: -23.210
flat angles P-C4'-P energy: -22.882
tors. eta vs tors. theta energy: 4.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -690.113573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.113573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.113573 (E_RNA)
where:
Base-Base interactions energy: -481.837
where: short stacking energy: -195.173
Base-Backbone interact. energy: -0.648
local terms energy: -207.628154
where:
bonds (distance) C4'-P energy: -45.125
bonds (distance) P-C4' energy: -36.968
flat angles C4'-P-C4' energy: -40.263
flat angles P-C4'-P energy: -25.956
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: 2, replica: 1
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -672.102916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.102916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.102916 (E_RNA)
where:
Base-Base interactions energy: -454.436
where: short stacking energy: -205.717
Base-Backbone interact. energy: -0.916
local terms energy: -216.751170
where:
bonds (distance) C4'-P energy: -35.119
bonds (distance) P-C4' energy: -35.644
flat angles C4'-P-C4' energy: -49.622
flat angles P-C4'-P energy: -33.049
tors. eta vs tors. theta energy: -63.317
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: 9
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -616.929263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.929263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.929263 (E_RNA)
where:
Base-Base interactions energy: -407.343
where: short stacking energy: -161.020
Base-Backbone interact. energy: -0.558
local terms energy: -209.027925
where:
bonds (distance) C4'-P energy: -43.718
bonds (distance) P-C4' energy: -38.266
flat angles C4'-P-C4' energy: -42.423
flat angles P-C4'-P energy: -27.816
tors. eta vs tors. theta energy: -56.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -566.601390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.601390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.601390 (E_RNA)
where:
Base-Base interactions energy: -362.957
where: short stacking energy: -185.582
Base-Backbone interact. energy: -0.866
local terms energy: -202.778907
where:
bonds (distance) C4'-P energy: -34.975
bonds (distance) P-C4' energy: -43.231
flat angles C4'-P-C4' energy: -40.704
flat angles P-C4'-P energy: -20.247
tors. eta vs tors. theta energy: -63.622
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: 7
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -540.091751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.091751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.091751 (E_RNA)
where:
Base-Base interactions energy: -336.204
where: short stacking energy: -158.465
Base-Backbone interact. energy: 0.179
local terms energy: -204.066108
where:
bonds (distance) C4'-P energy: -32.997
bonds (distance) P-C4' energy: -46.337
flat angles C4'-P-C4' energy: -47.818
flat angles P-C4'-P energy: -26.177
tors. eta vs tors. theta energy: -50.738
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: 405
Temperature: 1.150000
Total energy: -547.788289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.788289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.788289 (E_RNA)
where:
Base-Base interactions energy: -367.694
where: short stacking energy: -147.219
Base-Backbone interact. energy: 0.454
local terms energy: -180.548709
where:
bonds (distance) C4'-P energy: -35.232
bonds (distance) P-C4' energy: -40.641
flat angles C4'-P-C4' energy: -33.694
flat angles P-C4'-P energy: -21.595
tors. eta vs tors. theta energy: -49.387
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: 5
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -434.784392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.784392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.784392 (E_RNA)
where:
Base-Base interactions energy: -290.578
where: short stacking energy: -126.912
Base-Backbone interact. energy: -0.313
local terms energy: -143.893727
where:
bonds (distance) C4'-P energy: -32.930
bonds (distance) P-C4' energy: -29.227
flat angles C4'-P-C4' energy: -29.572
flat angles P-C4'-P energy: -22.219
tors. eta vs tors. theta energy: -29.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -205.104776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.104776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.104776 (E_RNA)
where:
Base-Base interactions energy: -83.014
where: short stacking energy: -79.079
Base-Backbone interact. energy: 0.202
local terms energy: -122.292863
where:
bonds (distance) C4'-P energy: -30.593
bonds (distance) P-C4' energy: -31.189
flat angles C4'-P-C4' energy: -32.909
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -15.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -172.205683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.205683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.205683 (E_RNA)
where:
Base-Base interactions energy: -51.170
where: short stacking energy: -40.615
Base-Backbone interact. energy: 0.279
local terms energy: -121.315108
where:
bonds (distance) C4'-P energy: -28.427
bonds (distance) P-C4' energy: -38.941
flat angles C4'-P-C4' energy: -36.535
flat angles P-C4'-P energy: -15.319
tors. eta vs tors. theta energy: -2.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -183.950396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.950396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.950396 (E_RNA)
where:
Base-Base interactions energy: -66.269
where: short stacking energy: -33.509
Base-Backbone interact. energy: -3.517
local terms energy: -114.164017
where:
bonds (distance) C4'-P energy: -36.129
bonds (distance) P-C4' energy: -42.541
flat angles C4'-P-C4' energy: -19.111
flat angles P-C4'-P energy: -19.742
tors. eta vs tors. theta energy: 3.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -697.035341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.035341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.035341 (E_RNA)
where:
Base-Base interactions energy: -480.241
where: short stacking energy: -194.804
Base-Backbone interact. energy: -0.583
local terms energy: -216.212079
where:
bonds (distance) C4'-P energy: -44.976
bonds (distance) P-C4' energy: -37.733
flat angles C4'-P-C4' energy: -40.813
flat angles P-C4'-P energy: -32.364
tors. eta vs tors. theta energy: -60.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -663.034904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.034904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.034904 (E_RNA)
where:
Base-Base interactions energy: -458.443
where: short stacking energy: -194.652
Base-Backbone interact. energy: 0.894
local terms energy: -205.486789
where:
bonds (distance) C4'-P energy: -33.969
bonds (distance) P-C4' energy: -41.447
flat angles C4'-P-C4' energy: -38.551
flat angles P-C4'-P energy: -33.053
tors. eta vs tors. theta energy: -58.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -604.371699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.371699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.371699 (E_RNA)
where:
Base-Base interactions energy: -404.869
where: short stacking energy: -163.691
Base-Backbone interact. energy: -0.651
local terms energy: -198.851455
where:
bonds (distance) C4'-P energy: -34.344
bonds (distance) P-C4' energy: -38.137
flat angles C4'-P-C4' energy: -38.607
flat angles P-C4'-P energy: -31.768
tors. eta vs tors. theta energy: -55.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -563.583738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.583738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.583738 (E_RNA)
where:
Base-Base interactions energy: -359.393
where: short stacking energy: -180.089
Base-Backbone interact. energy: -0.604
local terms energy: -203.586131
where:
bonds (distance) C4'-P energy: -35.847
bonds (distance) P-C4' energy: -36.952
flat angles C4'-P-C4' energy: -44.760
flat angles P-C4'-P energy: -29.527
tors. eta vs tors. theta energy: -56.500
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: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -582.960139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.960139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.960139 (E_RNA)
where:
Base-Base interactions energy: -389.908
where: short stacking energy: -173.669
Base-Backbone interact. energy: 0.174
local terms energy: -193.226597
where:
bonds (distance) C4'-P energy: -38.923
bonds (distance) P-C4' energy: -29.743
flat angles C4'-P-C4' energy: -40.107
flat angles P-C4'-P energy: -25.025
tors. eta vs tors. theta energy: -59.429
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: 7
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -540.939727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.939727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.939727 (E_RNA)
where:
Base-Base interactions energy: -335.941
where: short stacking energy: -162.303
Base-Backbone interact. energy: -0.048
local terms energy: -204.950538
where:
bonds (distance) C4'-P energy: -44.043
bonds (distance) P-C4' energy: -35.899
flat angles C4'-P-C4' energy: -43.133
flat angles P-C4'-P energy: -28.833
tors. eta vs tors. theta energy: -53.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -419.898444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.898444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.898444 (E_RNA)
where:
Base-Base interactions energy: -251.458
where: short stacking energy: -107.027
Base-Backbone interact. energy: -0.881
local terms energy: -167.559465
where:
bonds (distance) C4'-P energy: -39.617
bonds (distance) P-C4' energy: -35.041
flat angles C4'-P-C4' energy: -36.263
flat angles P-C4'-P energy: -30.908
tors. eta vs tors. theta energy: -25.730
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: 8, replica: 6
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -234.034864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.034864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.034864 (E_RNA)
where:
Base-Base interactions energy: -96.953
where: short stacking energy: -63.504
Base-Backbone interact. energy: -2.261
local terms energy: -134.820569
where:
bonds (distance) C4'-P energy: -39.822
bonds (distance) P-C4' energy: -40.760
flat angles C4'-P-C4' energy: -33.756
flat angles P-C4'-P energy: -18.083
tors. eta vs tors. theta energy: -2.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -209.778307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.778307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.778307 (E_RNA)
where:
Base-Base interactions energy: -113.604
where: short stacking energy: -55.056
Base-Backbone interact. energy: 0.733
local terms energy: -96.906679
where:
bonds (distance) C4'-P energy: -36.906
bonds (distance) P-C4' energy: -32.554
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -17.996
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: 10, replica: 8
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -178.517106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.517106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.517106 (E_RNA)
where:
Base-Base interactions energy: -63.326
where: short stacking energy: -52.070
Base-Backbone interact. energy: 0.042
local terms energy: -115.232272
where:
bonds (distance) C4'-P energy: -27.825
bonds (distance) P-C4' energy: -30.472
flat angles C4'-P-C4' energy: -29.346
flat angles P-C4'-P energy: -25.698
tors. eta vs tors. theta energy: -1.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -683.384435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.384435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.384435 (E_RNA)
where:
Base-Base interactions energy: -471.310
where: short stacking energy: -187.440
Base-Backbone interact. energy: -0.453
local terms energy: -211.620796
where:
bonds (distance) C4'-P energy: -42.685
bonds (distance) P-C4' energy: -42.995
flat angles C4'-P-C4' energy: -49.038
flat angles P-C4'-P energy: -20.707
tors. eta vs tors. theta energy: -56.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -670.221049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.221049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.221049 (E_RNA)
where:
Base-Base interactions energy: -449.179
where: short stacking energy: -200.698
Base-Backbone interact. energy: 0.777
local terms energy: -221.819597
where:
bonds (distance) C4'-P energy: -43.479
bonds (distance) P-C4' energy: -46.165
flat angles C4'-P-C4' energy: -40.704
flat angles P-C4'-P energy: -29.837
tors. eta vs tors. theta energy: -61.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -601.092240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.092240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.092240 (E_RNA)
where:
Base-Base interactions energy: -398.777
where: short stacking energy: -169.606
Base-Backbone interact. energy: -0.971
local terms energy: -201.344233
where:
bonds (distance) C4'-P energy: -47.039
bonds (distance) P-C4' energy: -37.348
flat angles C4'-P-C4' energy: -39.461
flat angles P-C4'-P energy: -25.461
tors. eta vs tors. theta energy: -52.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -610.687051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.687051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.687051 (E_RNA)
where:
Base-Base interactions energy: -424.568
where: short stacking energy: -189.639
Base-Backbone interact. energy: -0.167
local terms energy: -185.951364
where:
bonds (distance) C4'-P energy: -32.395
bonds (distance) P-C4' energy: -31.877
flat angles C4'-P-C4' energy: -38.365
flat angles P-C4'-P energy: -25.278
tors. eta vs tors. theta energy: -58.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -592.696368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.696368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.696368 (E_RNA)
where:
Base-Base interactions energy: -377.003
where: short stacking energy: -187.839
Base-Backbone interact. energy: -0.332
local terms energy: -215.361079
where:
bonds (distance) C4'-P energy: -44.398
bonds (distance) P-C4' energy: -36.159
flat angles C4'-P-C4' energy: -44.972
flat angles P-C4'-P energy: -25.090
tors. eta vs tors. theta energy: -64.741
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: 7
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -526.922044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.922044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.922044 (E_RNA)
where:
Base-Base interactions energy: -349.709
where: short stacking energy: -170.385
Base-Backbone interact. energy: -0.711
local terms energy: -176.501281
where:
bonds (distance) C4'-P energy: -27.288
bonds (distance) P-C4' energy: -27.349
flat angles C4'-P-C4' energy: -40.029
flat angles P-C4'-P energy: -30.266
tors. eta vs tors. theta energy: -51.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -439.304725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.304725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.304725 (E_RNA)
where:
Base-Base interactions energy: -289.377
where: short stacking energy: -123.453
Base-Backbone interact. energy: 0.456
local terms energy: -150.384518
where:
bonds (distance) C4'-P energy: -36.609
bonds (distance) P-C4' energy: -26.305
flat angles C4'-P-C4' energy: -34.324
flat angles P-C4'-P energy: -19.890
tors. eta vs tors. theta energy: -33.256
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: 8, replica: 10
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -247.975448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.975448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.975448 (E_RNA)
where:
Base-Base interactions energy: -123.845
where: short stacking energy: -71.860
Base-Backbone interact. energy: 0.159
local terms energy: -124.289824
where:
bonds (distance) C4'-P energy: -32.134
bonds (distance) P-C4' energy: -36.404
flat angles C4'-P-C4' energy: -26.095
flat angles P-C4'-P energy: -26.051
tors. eta vs tors. theta energy: -3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -209.873623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.873623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.873623 (E_RNA)
where:
Base-Base interactions energy: -89.579
where: short stacking energy: -53.842
Base-Backbone interact. energy: -0.983
local terms energy: -119.312280
where:
bonds (distance) C4'-P energy: -36.663
bonds (distance) P-C4' energy: -29.719
flat angles C4'-P-C4' energy: -31.005
flat angles P-C4'-P energy: -20.474
tors. eta vs tors. theta energy: -1.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -170.273708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.273708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.273708 (E_RNA)
where:
Base-Base interactions energy: -80.727
where: short stacking energy: -54.493
Base-Backbone interact. energy: 0.134
local terms energy: -89.681135
where:
bonds (distance) C4'-P energy: -29.733
bonds (distance) P-C4' energy: -27.947
flat angles C4'-P-C4' energy: -20.086
flat angles P-C4'-P energy: -20.383
tors. eta vs tors. theta energy: 8.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -685.365523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.365523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.365523 (E_RNA)
where:
Base-Base interactions energy: -471.913
where: short stacking energy: -208.764
Base-Backbone interact. energy: 0.302
local terms energy: -213.755092
where:
bonds (distance) C4'-P energy: -39.267
bonds (distance) P-C4' energy: -39.478
flat angles C4'-P-C4' energy: -46.214
flat angles P-C4'-P energy: -27.315
tors. eta vs tors. theta energy: -61.481
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: 3
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -680.370945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.370945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.370945 (E_RNA)
where:
Base-Base interactions energy: -484.917
where: short stacking energy: -185.353
Base-Backbone interact. energy: -0.382
local terms energy: -195.071840
where:
bonds (distance) C4'-P energy: -35.156
bonds (distance) P-C4' energy: -36.324
flat angles C4'-P-C4' energy: -42.273
flat angles P-C4'-P energy: -22.713
tors. eta vs tors. theta energy: -58.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -611.601961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.601961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.601961 (E_RNA)
where:
Base-Base interactions energy: -402.085
where: short stacking energy: -166.983
Base-Backbone interact. energy: -0.260
local terms energy: -209.257434
where:
bonds (distance) C4'-P energy: -39.022
bonds (distance) P-C4' energy: -43.218
flat angles C4'-P-C4' energy: -44.566
flat angles P-C4'-P energy: -24.318
tors. eta vs tors. theta energy: -58.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -610.472409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.472409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.472409 (E_RNA)
where:
Base-Base interactions energy: -414.100
where: short stacking energy: -169.537
Base-Backbone interact. energy: -1.103
local terms energy: -195.269390
where:
bonds (distance) C4'-P energy: -43.941
bonds (distance) P-C4' energy: -25.958
flat angles C4'-P-C4' energy: -43.561
flat angles P-C4'-P energy: -24.403
tors. eta vs tors. theta energy: -57.407
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: 2
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -563.796269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.796269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.796269 (E_RNA)
where:
Base-Base interactions energy: -386.910
where: short stacking energy: -188.338
Base-Backbone interact. energy: -0.054
local terms energy: -176.832409
where:
bonds (distance) C4'-P energy: -30.703
bonds (distance) P-C4' energy: -30.785
flat angles C4'-P-C4' energy: -37.662
flat angles P-C4'-P energy: -27.130
tors. eta vs tors. theta energy: -50.552
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: 6, replica: 7
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -527.631969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.631969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.631969 (E_RNA)
where:
Base-Base interactions energy: -346.080
where: short stacking energy: -156.682
Base-Backbone interact. energy: -0.640
local terms energy: -180.912672
where:
bonds (distance) C4'-P energy: -29.798
bonds (distance) P-C4' energy: -38.989
flat angles C4'-P-C4' energy: -41.194
flat angles P-C4'-P energy: -25.130
tors. eta vs tors. theta energy: -45.801
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: 5
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -490.738734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.738734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.738734 (E_RNA)
where:
Base-Base interactions energy: -318.430
where: short stacking energy: -144.794
Base-Backbone interact. energy: -0.268
local terms energy: -172.040416
where:
bonds (distance) C4'-P energy: -37.194
bonds (distance) P-C4' energy: -27.715
flat angles C4'-P-C4' energy: -36.250
flat angles P-C4'-P energy: -22.173
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: 8, replica: 10
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -219.136317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.136317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.136317 (E_RNA)
where:
Base-Base interactions energy: -94.266
where: short stacking energy: -57.994
Base-Backbone interact. energy: 0.285
local terms energy: -125.154996
where:
bonds (distance) C4'-P energy: -35.757
bonds (distance) P-C4' energy: -32.032
flat angles C4'-P-C4' energy: -32.169
flat angles P-C4'-P energy: -15.943
tors. eta vs tors. theta energy: -9.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -172.838252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.838252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.838252 (E_RNA)
where:
Base-Base interactions energy: -60.992
where: short stacking energy: -56.776
Base-Backbone interact. energy: 2.456
local terms energy: -114.301744
where:
bonds (distance) C4'-P energy: -29.667
bonds (distance) P-C4' energy: -45.000
flat angles C4'-P-C4' energy: -31.462
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: 6.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -170.422681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.422681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.422681 (E_RNA)
where:
Base-Base interactions energy: -59.628
where: short stacking energy: -46.242
Base-Backbone interact. energy: 2.412
local terms energy: -113.206801
where:
bonds (distance) C4'-P energy: -39.977
bonds (distance) P-C4' energy: -36.274
flat angles C4'-P-C4' energy: -23.129
flat angles P-C4'-P energy: -17.242
tors. eta vs tors. theta energy: 3.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -679.936356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.936356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.936356 (E_RNA)
where:
Base-Base interactions energy: -447.580
where: short stacking energy: -196.003
Base-Backbone interact. energy: -1.220
local terms energy: -231.136438
where:
bonds (distance) C4'-P energy: -40.031
bonds (distance) P-C4' energy: -46.247
flat angles C4'-P-C4' energy: -46.274
flat angles P-C4'-P energy: -37.420
tors. eta vs tors. theta energy: -61.165
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: 409
Temperature: 0.950000
Total energy: -679.835820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.835820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.835820 (E_RNA)
where:
Base-Base interactions energy: -473.023
where: short stacking energy: -188.352
Base-Backbone interact. energy: -0.690
local terms energy: -206.122744
where:
bonds (distance) C4'-P energy: -36.483
bonds (distance) P-C4' energy: -38.284
flat angles C4'-P-C4' energy: -45.178
flat angles P-C4'-P energy: -25.819
tors. eta vs tors. theta energy: -60.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -612.775548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.775548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.775548 (E_RNA)
where:
Base-Base interactions energy: -419.772
where: short stacking energy: -177.186
Base-Backbone interact. energy: -0.394
local terms energy: -192.609216
where:
bonds (distance) C4'-P energy: -39.949
bonds (distance) P-C4' energy: -33.579
flat angles C4'-P-C4' energy: -35.263
flat angles P-C4'-P energy: -29.044
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: 4, replica: 4
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -606.618255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.618255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.618255 (E_RNA)
where:
Base-Base interactions energy: -410.304
where: short stacking energy: -170.647
Base-Backbone interact. energy: -0.365
local terms energy: -195.948876
where:
bonds (distance) C4'-P energy: -31.432
bonds (distance) P-C4' energy: -38.738
flat angles C4'-P-C4' energy: -46.382
flat angles P-C4'-P energy: -21.913
tors. eta vs tors. theta energy: -57.483
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: 5, replica: 2
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -569.259314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.259314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.259314 (E_RNA)
where:
Base-Base interactions energy: -369.769
where: short stacking energy: -170.435
Base-Backbone interact. energy: -0.175
local terms energy: -199.315602
where:
bonds (distance) C4'-P energy: -39.149
bonds (distance) P-C4' energy: -28.354
flat angles C4'-P-C4' energy: -41.003
flat angles P-C4'-P energy: -30.372
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: 6, replica: 7
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -551.139847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.139847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.139847 (E_RNA)
where:
Base-Base interactions energy: -372.790
where: short stacking energy: -176.478
Base-Backbone interact. energy: -0.297
local terms energy: -178.053271
where:
bonds (distance) C4'-P energy: -26.302
bonds (distance) P-C4' energy: -34.117
flat angles C4'-P-C4' energy: -41.073
flat angles P-C4'-P energy: -22.645
tors. eta vs tors. theta energy: -53.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -480.128398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.128398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.128398 (E_RNA)
where:
Base-Base interactions energy: -304.378
where: short stacking energy: -134.539
Base-Backbone interact. energy: -0.595
local terms energy: -175.155051
where:
bonds (distance) C4'-P energy: -36.063
bonds (distance) P-C4' energy: -34.368
flat angles C4'-P-C4' energy: -42.989
flat angles P-C4'-P energy: -26.466
tors. eta vs tors. theta energy: -35.268
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: 8
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -197.580119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.580119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.580119 (E_RNA)
where:
Base-Base interactions energy: -73.312
where: short stacking energy: -60.364
Base-Backbone interact. energy: 0.538
local terms energy: -124.806021
where:
bonds (distance) C4'-P energy: -37.358
bonds (distance) P-C4' energy: -41.222
flat angles C4'-P-C4' energy: -27.032
flat angles P-C4'-P energy: -16.919
tors. eta vs tors. theta energy: -2.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -214.149032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.149032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.149032 (E_RNA)
where:
Base-Base interactions energy: -105.157
where: short stacking energy: -60.734
Base-Backbone interact. energy: 2.799
local terms energy: -111.791192
where:
bonds (distance) C4'-P energy: -29.878
bonds (distance) P-C4' energy: -33.289
flat angles C4'-P-C4' energy: -27.948
flat angles P-C4'-P energy: -20.827
tors. eta vs tors. theta energy: 0.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -181.774529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.774529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.774529 (E_RNA)
where:
Base-Base interactions energy: -80.890
where: short stacking energy: -65.019
Base-Backbone interact. energy: -0.299
local terms energy: -100.585971
where:
bonds (distance) C4'-P energy: -24.646
bonds (distance) P-C4' energy: -34.953
flat angles C4'-P-C4' energy: -30.330
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -1.690
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: 3
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -697.526510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.526510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.526510 (E_RNA)
where:
Base-Base interactions energy: -475.937
where: short stacking energy: -196.164
Base-Backbone interact. energy: -0.546
local terms energy: -221.043765
where:
bonds (distance) C4'-P energy: -44.024
bonds (distance) P-C4' energy: -39.114
flat angles C4'-P-C4' energy: -46.031
flat angles P-C4'-P energy: -30.461
tors. eta vs tors. theta energy: -61.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -684.403533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.403533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.403533 (E_RNA)
where:
Base-Base interactions energy: -467.889
where: short stacking energy: -175.842
Base-Backbone interact. energy: -0.219
local terms energy: -216.295959
where:
bonds (distance) C4'-P energy: -41.410
bonds (distance) P-C4' energy: -43.848
flat angles C4'-P-C4' energy: -48.736
flat angles P-C4'-P energy: -28.682
tors. eta vs tors. theta energy: -53.619
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: 9
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -605.383923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.383923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.383923 (E_RNA)
where:
Base-Base interactions energy: -415.508
where: short stacking energy: -168.901
Base-Backbone interact. energy: -0.160
local terms energy: -189.716103
where:
bonds (distance) C4'-P energy: -34.218
bonds (distance) P-C4' energy: -40.777
flat angles C4'-P-C4' energy: -31.303
flat angles P-C4'-P energy: -29.960
tors. eta vs tors. theta energy: -53.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -597.384551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.384551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.384551 (E_RNA)
where:
Base-Base interactions energy: -404.489
where: short stacking energy: -177.514
Base-Backbone interact. energy: -0.987
local terms energy: -191.908716
where:
bonds (distance) C4'-P energy: -32.198
bonds (distance) P-C4' energy: -36.479
flat angles C4'-P-C4' energy: -40.028
flat angles P-C4'-P energy: -27.509
tors. eta vs tors. theta energy: -55.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -571.540119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.540119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.540119 (E_RNA)
where:
Base-Base interactions energy: -379.299
where: short stacking energy: -185.650
Base-Backbone interact. energy: -0.975
local terms energy: -191.265718
where:
bonds (distance) C4'-P energy: -36.108
bonds (distance) P-C4' energy: -31.689
flat angles C4'-P-C4' energy: -43.012
flat angles P-C4'-P energy: -26.733
tors. eta vs tors. theta energy: -53.723
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: 7
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -513.733788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.733788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.733788 (E_RNA)
where:
Base-Base interactions energy: -332.356
where: short stacking energy: -154.608
Base-Backbone interact. energy: -0.110
local terms energy: -181.267428
where:
bonds (distance) C4'-P energy: -39.087
bonds (distance) P-C4' energy: -42.016
flat angles C4'-P-C4' energy: -35.847
flat angles P-C4'-P energy: -21.891
tors. eta vs tors. theta energy: -42.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -477.792683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.792683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.792683 (E_RNA)
where:
Base-Base interactions energy: -304.703
where: short stacking energy: -140.111
Base-Backbone interact. energy: -0.417
local terms energy: -172.672011
where:
bonds (distance) C4'-P energy: -39.616
bonds (distance) P-C4' energy: -31.100
flat angles C4'-P-C4' energy: -34.546
flat angles P-C4'-P energy: -28.709
tors. eta vs tors. theta energy: -38.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -209.872620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.872620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.872620 (E_RNA)
where:
Base-Base interactions energy: -79.977
where: short stacking energy: -59.341
Base-Backbone interact. energy: -0.390
local terms energy: -129.506315
where:
bonds (distance) C4'-P energy: -35.883
bonds (distance) P-C4' energy: -34.736
flat angles C4'-P-C4' energy: -32.801
flat angles P-C4'-P energy: -22.824
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: 410
Temperature: 1.300000
Total energy: -183.466106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.466106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.466106 (E_RNA)
where:
Base-Base interactions energy: -56.896
where: short stacking energy: -47.738
Base-Backbone interact. energy: 0.696
local terms energy: -127.266519
where:
bonds (distance) C4'-P energy: -35.835
bonds (distance) P-C4' energy: -34.032
flat angles C4'-P-C4' energy: -27.134
flat angles P-C4'-P energy: -26.783
tors. eta vs tors. theta energy: -3.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -163.089579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.089579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.089579 (E_RNA)
where:
Base-Base interactions energy: -59.025
where: short stacking energy: -36.352
Base-Backbone interact. energy: -0.709
local terms energy: -103.355478
where:
bonds (distance) C4'-P energy: -31.617
bonds (distance) P-C4' energy: -31.288
flat angles C4'-P-C4' energy: -28.181
flat angles P-C4'-P energy: -22.837
tors. eta vs tors. theta energy: 10.568
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: 3
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -693.351746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.351746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.351746 (E_RNA)
where:
Base-Base interactions energy: -474.129
where: short stacking energy: -187.229
Base-Backbone interact. energy: -0.232
local terms energy: -218.990067
where:
bonds (distance) C4'-P energy: -40.101
bonds (distance) P-C4' energy: -38.968
flat angles C4'-P-C4' energy: -42.753
flat angles P-C4'-P energy: -34.336
tors. eta vs tors. theta energy: -62.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -682.775181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.775181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.775181 (E_RNA)
where:
Base-Base interactions energy: -471.478
where: short stacking energy: -203.292
Base-Backbone interact. energy: -1.075
local terms energy: -210.221602
where:
bonds (distance) C4'-P energy: -42.593
bonds (distance) P-C4' energy: -33.899
flat angles C4'-P-C4' energy: -46.282
flat angles P-C4'-P energy: -29.216
tors. eta vs tors. theta energy: -58.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -608.853091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.853091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.853091 (E_RNA)
where:
Base-Base interactions energy: -413.925
where: short stacking energy: -165.771
Base-Backbone interact. energy: -0.257
local terms energy: -194.671076
where:
bonds (distance) C4'-P energy: -36.172
bonds (distance) P-C4' energy: -37.793
flat angles C4'-P-C4' energy: -44.192
flat angles P-C4'-P energy: -23.494
tors. eta vs tors. theta energy: -53.019
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: 4, replica: 4
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -606.500775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.500775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.500775 (E_RNA)
where:
Base-Base interactions energy: -413.999
where: short stacking energy: -179.409
Base-Backbone interact. energy: 0.412
local terms energy: -192.913571
where:
bonds (distance) C4'-P energy: -36.556
bonds (distance) P-C4' energy: -35.016
flat angles C4'-P-C4' energy: -44.036
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -62.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -575.102676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.102676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.102676 (E_RNA)
where:
Base-Base interactions energy: -379.634
where: short stacking energy: -181.234
Base-Backbone interact. energy: -0.157
local terms energy: -195.311705
where:
bonds (distance) C4'-P energy: -36.706
bonds (distance) P-C4' energy: -36.455
flat angles C4'-P-C4' energy: -38.195
flat angles P-C4'-P energy: -21.060
tors. eta vs tors. theta energy: -62.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -536.896768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.896768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.896768 (E_RNA)
where:
Base-Base interactions energy: -355.374
where: short stacking energy: -151.581
Base-Backbone interact. energy: -0.154
local terms energy: -181.369612
where:
bonds (distance) C4'-P energy: -27.754
bonds (distance) P-C4' energy: -41.842
flat angles C4'-P-C4' energy: -41.174
flat angles P-C4'-P energy: -24.465
tors. eta vs tors. theta energy: -46.134
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: 5
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -463.833472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.833472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.833472 (E_RNA)
where:
Base-Base interactions energy: -309.025
where: short stacking energy: -115.798
Base-Backbone interact. energy: -0.844
local terms energy: -153.964422
where:
bonds (distance) C4'-P energy: -20.488
bonds (distance) P-C4' energy: -35.945
flat angles C4'-P-C4' energy: -39.875
flat angles P-C4'-P energy: -30.665
tors. eta vs tors. theta energy: -26.991
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: 6
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -205.960455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.960455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.960455 (E_RNA)
where:
Base-Base interactions energy: -74.142
where: short stacking energy: -59.176
Base-Backbone interact. energy: 0.588
local terms energy: -132.405683
where:
bonds (distance) C4'-P energy: -35.972
bonds (distance) P-C4' energy: -43.705
flat angles C4'-P-C4' energy: -31.103
flat angles P-C4'-P energy: -20.856
tors. eta vs tors. theta energy: -0.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -187.345024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.345024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.345024 (E_RNA)
where:
Base-Base interactions energy: -51.842
where: short stacking energy: -45.324
Base-Backbone interact. energy: -0.564
local terms energy: -134.938810
where:
bonds (distance) C4'-P energy: -34.294
bonds (distance) P-C4' energy: -45.280
flat angles C4'-P-C4' energy: -31.089
flat angles P-C4'-P energy: -25.181
tors. eta vs tors. theta energy: 0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -173.695804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.695804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.695804 (E_RNA)
where:
Base-Base interactions energy: -55.385
where: short stacking energy: -34.223
Base-Backbone interact. energy: -0.127
local terms energy: -118.183822
where:
bonds (distance) C4'-P energy: -35.827
bonds (distance) P-C4' energy: -33.429
flat angles C4'-P-C4' energy: -30.393
flat angles P-C4'-P energy: -21.772
tors. eta vs tors. theta energy: 3.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -690.301321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.301321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.301321 (E_RNA)
where:
Base-Base interactions energy: -471.529
where: short stacking energy: -190.377
Base-Backbone interact. energy: 1.963
local terms energy: -220.735460
where:
bonds (distance) C4'-P energy: -41.964
bonds (distance) P-C4' energy: -39.401
flat angles C4'-P-C4' energy: -51.082
flat angles P-C4'-P energy: -27.902
tors. eta vs tors. theta energy: -60.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -682.675325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.675325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.675325 (E_RNA)
where:
Base-Base interactions energy: -467.061
where: short stacking energy: -184.328
Base-Backbone interact. energy: 0.137
local terms energy: -215.750978
where:
bonds (distance) C4'-P energy: -38.536
bonds (distance) P-C4' energy: -43.096
flat angles C4'-P-C4' energy: -44.065
flat angles P-C4'-P energy: -30.701
tors. eta vs tors. theta energy: -59.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -612.771459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.771459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.771459 (E_RNA)
where:
Base-Base interactions energy: -408.461
where: short stacking energy: -165.815
Base-Backbone interact. energy: 0.781
local terms energy: -205.090843
where:
bonds (distance) C4'-P energy: -33.614
bonds (distance) P-C4' energy: -40.372
flat angles C4'-P-C4' energy: -40.554
flat angles P-C4'-P energy: -32.110
tors. eta vs tors. theta energy: -58.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -617.396170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.396170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.396170 (E_RNA)
where:
Base-Base interactions energy: -402.954
where: short stacking energy: -179.242
Base-Backbone interact. energy: 1.100
local terms energy: -215.542313
where:
bonds (distance) C4'-P energy: -43.932
bonds (distance) P-C4' energy: -44.232
flat angles C4'-P-C4' energy: -41.107
flat angles P-C4'-P energy: -27.112
tors. eta vs tors. theta energy: -59.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -556.618014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.618014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.618014 (E_RNA)
where:
Base-Base interactions energy: -356.583
where: short stacking energy: -174.864
Base-Backbone interact. energy: -0.836
local terms energy: -199.198240
where:
bonds (distance) C4'-P energy: -35.483
bonds (distance) P-C4' energy: -39.962
flat angles C4'-P-C4' energy: -38.359
flat angles P-C4'-P energy: -30.184
tors. eta vs tors. theta energy: -55.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -530.045911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.045911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.045911 (E_RNA)
where:
Base-Base interactions energy: -334.974
where: short stacking energy: -157.847
Base-Backbone interact. energy: -0.235
local terms energy: -194.837099
where:
bonds (distance) C4'-P energy: -43.333
bonds (distance) P-C4' energy: -38.161
flat angles C4'-P-C4' energy: -37.648
flat angles P-C4'-P energy: -28.888
tors. eta vs tors. theta energy: -46.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -502.873424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.873424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.873424 (E_RNA)
where:
Base-Base interactions energy: -314.862
where: short stacking energy: -146.473
Base-Backbone interact. energy: -1.242
local terms energy: -186.769211
where:
bonds (distance) C4'-P energy: -39.881
bonds (distance) P-C4' energy: -33.917
flat angles C4'-P-C4' energy: -42.418
flat angles P-C4'-P energy: -26.584
tors. eta vs tors. theta energy: -43.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -214.193577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.193577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.193577 (E_RNA)
where:
Base-Base interactions energy: -87.878
where: short stacking energy: -65.510
Base-Backbone interact. energy: -0.595
local terms energy: -125.720578
where:
bonds (distance) C4'-P energy: -29.418
bonds (distance) P-C4' energy: -36.019
flat angles C4'-P-C4' energy: -28.705
flat angles P-C4'-P energy: -22.819
tors. eta vs tors. theta energy: -8.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -173.107979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.107979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.107979 (E_RNA)
where:
Base-Base interactions energy: -49.213
where: short stacking energy: -46.426
Base-Backbone interact. energy: -1.617
local terms energy: -122.278101
where:
bonds (distance) C4'-P energy: -36.277
bonds (distance) P-C4' energy: -35.304
flat angles C4'-P-C4' energy: -27.457
flat angles P-C4'-P energy: -22.405
tors. eta vs tors. theta energy: -0.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -166.446459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.446459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.446459 (E_RNA)
where:
Base-Base interactions energy: -44.671
where: short stacking energy: -28.858
Base-Backbone interact. energy: -0.021
local terms energy: -121.754376
where:
bonds (distance) C4'-P energy: -38.995
bonds (distance) P-C4' energy: -40.917
flat angles C4'-P-C4' energy: -33.577
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: 3.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -681.431137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.431137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.431137 (E_RNA)
where:
Base-Base interactions energy: -470.374
where: short stacking energy: -203.601
Base-Backbone interact. energy: -1.741
local terms energy: -209.316525
where:
bonds (distance) C4'-P energy: -34.695
bonds (distance) P-C4' energy: -35.920
flat angles C4'-P-C4' energy: -46.568
flat angles P-C4'-P energy: -34.362
tors. eta vs tors. theta energy: -57.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -673.973241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.973241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.973241 (E_RNA)
where:
Base-Base interactions energy: -458.397
where: short stacking energy: -180.425
Base-Backbone interact. energy: -0.390
local terms energy: -215.186096
where:
bonds (distance) C4'-P energy: -40.500
bonds (distance) P-C4' energy: -40.853
flat angles C4'-P-C4' energy: -42.103
flat angles P-C4'-P energy: -28.153
tors. eta vs tors. theta energy: -63.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -620.079384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.079384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.079384 (E_RNA)
where:
Base-Base interactions energy: -409.895
where: short stacking energy: -160.638
Base-Backbone interact. energy: -0.202
local terms energy: -209.982072
where:
bonds (distance) C4'-P energy: -41.116
bonds (distance) P-C4' energy: -39.723
flat angles C4'-P-C4' energy: -43.360
flat angles P-C4'-P energy: -31.234
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: 4, replica: 4
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -598.987860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.987860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.987860 (E_RNA)
where:
Base-Base interactions energy: -402.387
where: short stacking energy: -174.420
Base-Backbone interact. energy: -0.253
local terms energy: -196.347939
where:
bonds (distance) C4'-P energy: -38.157
bonds (distance) P-C4' energy: -37.834
flat angles C4'-P-C4' energy: -42.550
flat angles P-C4'-P energy: -26.221
tors. eta vs tors. theta energy: -51.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -563.415803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.415803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.415803 (E_RNA)
where:
Base-Base interactions energy: -367.245
where: short stacking energy: -186.324
Base-Backbone interact. energy: -0.326
local terms energy: -195.845457
where:
bonds (distance) C4'-P energy: -32.281
bonds (distance) P-C4' energy: -30.971
flat angles C4'-P-C4' energy: -46.913
flat angles P-C4'-P energy: -27.797
tors. eta vs tors. theta energy: -57.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -544.645405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.645405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.645405 (E_RNA)
where:
Base-Base interactions energy: -352.345
where: short stacking energy: -170.645
Base-Backbone interact. energy: -0.350
local terms energy: -191.951023
where:
bonds (distance) C4'-P energy: -37.029
bonds (distance) P-C4' energy: -30.957
flat angles C4'-P-C4' energy: -41.643
flat angles P-C4'-P energy: -27.413
tors. eta vs tors. theta energy: -54.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -469.398221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.398221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.398221 (E_RNA)
where:
Base-Base interactions energy: -305.322
where: short stacking energy: -140.184
Base-Backbone interact. energy: -1.284
local terms energy: -162.792050
where:
bonds (distance) C4'-P energy: -31.647
bonds (distance) P-C4' energy: -32.370
flat angles C4'-P-C4' energy: -39.095
flat angles P-C4'-P energy: -22.446
tors. eta vs tors. theta energy: -37.234
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: 6
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -192.622396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.622396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.622396 (E_RNA)
where:
Base-Base interactions energy: -67.499
where: short stacking energy: -60.030
Base-Backbone interact. energy: -1.052
local terms energy: -124.070901
where:
bonds (distance) C4'-P energy: -29.300
bonds (distance) P-C4' energy: -40.220
flat angles C4'-P-C4' energy: -36.691
flat angles P-C4'-P energy: -17.079
tors. eta vs tors. theta energy: -0.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -185.679644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.679644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.679644 (E_RNA)
where:
Base-Base interactions energy: -66.376
where: short stacking energy: -44.600
Base-Backbone interact. energy: -0.271
local terms energy: -119.032910
where:
bonds (distance) C4'-P energy: -34.843
bonds (distance) P-C4' energy: -31.329
flat angles C4'-P-C4' energy: -35.547
flat angles P-C4'-P energy: -19.889
tors. eta vs tors. theta energy: 2.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -158.276128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.276128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.276128 (E_RNA)
where:
Base-Base interactions energy: -54.865
where: short stacking energy: -46.686
Base-Backbone interact. energy: -1.141
local terms energy: -102.269993
where:
bonds (distance) C4'-P energy: -31.436
bonds (distance) P-C4' energy: -29.923
flat angles C4'-P-C4' energy: -21.680
flat angles P-C4'-P energy: -17.697
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: 1, replica: 3
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -681.539832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.539832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.539832 (E_RNA)
where:
Base-Base interactions energy: -469.761
where: short stacking energy: -188.937
Base-Backbone interact. energy: -0.657
local terms energy: -211.122029
where:
bonds (distance) C4'-P energy: -37.966
bonds (distance) P-C4' energy: -39.112
flat angles C4'-P-C4' energy: -44.301
flat angles P-C4'-P energy: -26.009
tors. eta vs tors. theta energy: -63.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -672.760214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.760214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.760214 (E_RNA)
where:
Base-Base interactions energy: -461.021
where: short stacking energy: -201.443
Base-Backbone interact. energy: -1.043
local terms energy: -210.696067
where:
bonds (distance) C4'-P energy: -37.342
bonds (distance) P-C4' energy: -35.962
flat angles C4'-P-C4' energy: -48.533
flat angles P-C4'-P energy: -32.182
tors. eta vs tors. theta energy: -56.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -603.420052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.420052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.420052 (E_RNA)
where:
Base-Base interactions energy: -403.107
where: short stacking energy: -160.135
Base-Backbone interact. energy: -1.441
local terms energy: -198.872257
where:
bonds (distance) C4'-P energy: -38.703
bonds (distance) P-C4' energy: -37.996
flat angles C4'-P-C4' energy: -45.469
flat angles P-C4'-P energy: -27.189
tors. eta vs tors. theta energy: -49.514
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: 4
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -593.009334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.009334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.009334 (E_RNA)
where:
Base-Base interactions energy: -403.075
where: short stacking energy: -162.613
Base-Backbone interact. energy: 0.481
local terms energy: -190.415618
where:
bonds (distance) C4'-P energy: -36.730
bonds (distance) P-C4' energy: -37.373
flat angles C4'-P-C4' energy: -48.401
flat angles P-C4'-P energy: -19.311
tors. eta vs tors. theta energy: -48.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -533.400131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.400131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.400131 (E_RNA)
where:
Base-Base interactions energy: -359.319
where: short stacking energy: -155.769
Base-Backbone interact. energy: -1.227
local terms energy: -172.854461
where:
bonds (distance) C4'-P energy: -31.640
bonds (distance) P-C4' energy: -37.994
flat angles C4'-P-C4' energy: -41.377
flat angles P-C4'-P energy: -14.589
tors. eta vs tors. theta energy: -47.255
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: 414
Temperature: 1.150000
Total energy: -556.679739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.679739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.679739 (E_RNA)
where:
Base-Base interactions energy: -368.785
where: short stacking energy: -180.282
Base-Backbone interact. energy: -0.118
local terms energy: -187.777337
where:
bonds (distance) C4'-P energy: -35.625
bonds (distance) P-C4' energy: -34.845
flat angles C4'-P-C4' energy: -41.253
flat angles P-C4'-P energy: -21.263
tors. eta vs tors. theta energy: -54.792
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: 5
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -493.137741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.137741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.137741 (E_RNA)
where:
Base-Base interactions energy: -307.747
where: short stacking energy: -141.236
Base-Backbone interact. energy: -0.481
local terms energy: -184.909761
where:
bonds (distance) C4'-P energy: -35.590
bonds (distance) P-C4' energy: -40.248
flat angles C4'-P-C4' energy: -39.919
flat angles P-C4'-P energy: -24.824
tors. eta vs tors. theta energy: -44.330
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: 414
Temperature: 1.250000
Total energy: -195.945176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.945176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.945176 (E_RNA)
where:
Base-Base interactions energy: -72.425
where: short stacking energy: -61.459
Base-Backbone interact. energy: 1.067
local terms energy: -124.587086
where:
bonds (distance) C4'-P energy: -30.380
bonds (distance) P-C4' energy: -38.131
flat angles C4'-P-C4' energy: -39.940
flat angles P-C4'-P energy: -21.119
tors. eta vs tors. theta energy: 4.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -179.149543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.149543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.149543 (E_RNA)
where:
Base-Base interactions energy: -63.098
where: short stacking energy: -56.885
Base-Backbone interact. energy: 0.672
local terms energy: -116.723192
where:
bonds (distance) C4'-P energy: -33.621
bonds (distance) P-C4' energy: -41.171
flat angles C4'-P-C4' energy: -24.136
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -5.475
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: 10, replica: 10
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -171.626507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.626507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.626507 (E_RNA)
where:
Base-Base interactions energy: -49.008
where: short stacking energy: -48.213
Base-Backbone interact. energy: -1.424
local terms energy: -121.194805
where:
bonds (distance) C4'-P energy: -27.761
bonds (distance) P-C4' energy: -40.497
flat angles C4'-P-C4' energy: -37.980
flat angles P-C4'-P energy: -22.415
tors. eta vs tors. theta energy: 7.459
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: 415
Temperature: 0.900000
Total energy: -685.949245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.949245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.949245 (E_RNA)
where:
Base-Base interactions energy: -458.813
where: short stacking energy: -180.817
Base-Backbone interact. energy: -0.305
local terms energy: -226.830786
where:
bonds (distance) C4'-P energy: -42.378
bonds (distance) P-C4' energy: -45.049
flat angles C4'-P-C4' energy: -44.192
flat angles P-C4'-P energy: -33.763
tors. eta vs tors. theta energy: -61.449
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: 1
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -670.944155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.944155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.944155 (E_RNA)
where:
Base-Base interactions energy: -460.509
where: short stacking energy: -199.566
Base-Backbone interact. energy: 6.314
local terms energy: -216.749169
where:
bonds (distance) C4'-P energy: -39.040
bonds (distance) P-C4' energy: -38.228
flat angles C4'-P-C4' energy: -42.430
flat angles P-C4'-P energy: -36.713
tors. eta vs tors. theta energy: -60.339
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: 9
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -604.766434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.766434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.766434 (E_RNA)
where:
Base-Base interactions energy: -412.839
where: short stacking energy: -184.039
Base-Backbone interact. energy: 1.240
local terms energy: -193.167886
where:
bonds (distance) C4'-P energy: -34.743
bonds (distance) P-C4' energy: -32.085
flat angles C4'-P-C4' energy: -39.884
flat angles P-C4'-P energy: -32.882
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: 4, replica: 4
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -604.391566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.391566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.391566 (E_RNA)
where:
Base-Base interactions energy: -389.516
where: short stacking energy: -162.905
Base-Backbone interact. energy: -0.861
local terms energy: -214.014330
where:
bonds (distance) C4'-P energy: -39.862
bonds (distance) P-C4' energy: -45.148
flat angles C4'-P-C4' energy: -44.402
flat angles P-C4'-P energy: -31.598
tors. eta vs tors. theta energy: -53.003
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: 7
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -547.477424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.477424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.477424 (E_RNA)
where:
Base-Base interactions energy: -355.689
where: short stacking energy: -157.748
Base-Backbone interact. energy: -1.081
local terms energy: -190.706981
where:
bonds (distance) C4'-P energy: -37.598
bonds (distance) P-C4' energy: -43.638
flat angles C4'-P-C4' energy: -40.595
flat angles P-C4'-P energy: -20.352
tors. eta vs tors. theta energy: -48.523
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: 2
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -539.770398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.770398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.770398 (E_RNA)
where:
Base-Base interactions energy: -360.379
where: short stacking energy: -155.922
Base-Backbone interact. energy: -0.356
local terms energy: -179.034982
where:
bonds (distance) C4'-P energy: -40.284
bonds (distance) P-C4' energy: -34.364
flat angles C4'-P-C4' energy: -30.759
flat angles P-C4'-P energy: -24.187
tors. eta vs tors. theta energy: -49.440
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: 5
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -541.137370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.137370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.137370 (E_RNA)
where:
Base-Base interactions energy: -369.175
where: short stacking energy: -159.292
Base-Backbone interact. energy: -0.208
local terms energy: -171.754545
where:
bonds (distance) C4'-P energy: -24.683
bonds (distance) P-C4' energy: -38.048
flat angles C4'-P-C4' energy: -35.862
flat angles P-C4'-P energy: -21.793
tors. eta vs tors. theta energy: -51.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -202.437861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.437861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.437861 (E_RNA)
where:
Base-Base interactions energy: -69.364
where: short stacking energy: -60.453
Base-Backbone interact. energy: 1.682
local terms energy: -134.755640
where:
bonds (distance) C4'-P energy: -41.016
bonds (distance) P-C4' energy: -44.993
flat angles C4'-P-C4' energy: -25.609
flat angles P-C4'-P energy: -16.858
tors. eta vs tors. theta energy: -6.280
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: 6
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -182.265718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.265718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.265718 (E_RNA)
where:
Base-Base interactions energy: -73.073
where: short stacking energy: -64.026
Base-Backbone interact. energy: 0.442
local terms energy: -109.634373
where:
bonds (distance) C4'-P energy: -23.971
bonds (distance) P-C4' energy: -30.076
flat angles C4'-P-C4' energy: -40.924
flat angles P-C4'-P energy: -17.537
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: 10
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -171.218164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.218164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.218164 (E_RNA)
where:
Base-Base interactions energy: -52.993
where: short stacking energy: -45.179
Base-Backbone interact. energy: -0.524
local terms energy: -117.700738
where:
bonds (distance) C4'-P energy: -30.016
bonds (distance) P-C4' energy: -36.062
flat angles C4'-P-C4' energy: -34.171
flat angles P-C4'-P energy: -21.712
tors. eta vs tors. theta energy: 4.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -690.683093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.683093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.683093 (E_RNA)
where:
Base-Base interactions energy: -465.085
where: short stacking energy: -184.622
Base-Backbone interact. energy: 0.074
local terms energy: -225.672531
where:
bonds (distance) C4'-P energy: -42.538
bonds (distance) P-C4' energy: -44.365
flat angles C4'-P-C4' energy: -47.894
flat angles P-C4'-P energy: -30.407
tors. eta vs tors. theta energy: -60.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -665.785203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.785203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.785203 (E_RNA)
where:
Base-Base interactions energy: -452.797
where: short stacking energy: -207.206
Base-Backbone interact. energy: -1.202
local terms energy: -211.786713
where:
bonds (distance) C4'-P energy: -36.997
bonds (distance) P-C4' energy: -39.670
flat angles C4'-P-C4' energy: -43.200
flat angles P-C4'-P energy: -32.422
tors. eta vs tors. theta energy: -59.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -604.171014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.171014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.171014 (E_RNA)
where:
Base-Base interactions energy: -392.288
where: short stacking energy: -171.940
Base-Backbone interact. energy: -0.231
local terms energy: -211.651362
where:
bonds (distance) C4'-P energy: -44.502
bonds (distance) P-C4' energy: -41.597
flat angles C4'-P-C4' energy: -43.243
flat angles P-C4'-P energy: -28.087
tors. eta vs tors. theta energy: -54.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -582.135953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.135953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.135953 (E_RNA)
where:
Base-Base interactions energy: -385.116
where: short stacking energy: -164.867
Base-Backbone interact. energy: -0.969
local terms energy: -196.050483
where:
bonds (distance) C4'-P energy: -35.209
bonds (distance) P-C4' energy: -34.340
flat angles C4'-P-C4' energy: -43.011
flat angles P-C4'-P energy: -29.524
tors. eta vs tors. theta energy: -53.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -557.488497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.488497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.488497 (E_RNA)
where:
Base-Base interactions energy: -361.998
where: short stacking energy: -180.437
Base-Backbone interact. energy: 0.109
local terms energy: -195.599055
where:
bonds (distance) C4'-P energy: -40.572
bonds (distance) P-C4' energy: -39.371
flat angles C4'-P-C4' energy: -37.145
flat angles P-C4'-P energy: -23.854
tors. eta vs tors. theta energy: -54.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -539.570008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.570008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.570008 (E_RNA)
where:
Base-Base interactions energy: -343.756
where: short stacking energy: -153.119
Base-Backbone interact. energy: -1.366
local terms energy: -194.448109
where:
bonds (distance) C4'-P energy: -46.898
bonds (distance) P-C4' energy: -39.758
flat angles C4'-P-C4' energy: -37.065
flat angles P-C4'-P energy: -26.996
tors. eta vs tors. theta energy: -43.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -526.970833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.970833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.970833 (E_RNA)
where:
Base-Base interactions energy: -354.555
where: short stacking energy: -145.124
Base-Backbone interact. energy: -0.159
local terms energy: -172.256535
where:
bonds (distance) C4'-P energy: -29.447
bonds (distance) P-C4' energy: -37.568
flat angles C4'-P-C4' energy: -43.104
flat angles P-C4'-P energy: -19.516
tors. eta vs tors. theta energy: -42.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -201.714103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.714103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.714103 (E_RNA)
where:
Base-Base interactions energy: -72.961
where: short stacking energy: -70.878
Base-Backbone interact. energy: -0.395
local terms energy: -128.358040
where:
bonds (distance) C4'-P energy: -34.864
bonds (distance) P-C4' energy: -34.520
flat angles C4'-P-C4' energy: -32.088
flat angles P-C4'-P energy: -19.730
tors. eta vs tors. theta energy: -7.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -195.567938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.567938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.567938 (E_RNA)
where:
Base-Base interactions energy: -96.970
where: short stacking energy: -64.023
Base-Backbone interact. energy: -1.576
local terms energy: -97.022137
where:
bonds (distance) C4'-P energy: -28.661
bonds (distance) P-C4' energy: -34.888
flat angles C4'-P-C4' energy: -26.126
flat angles P-C4'-P energy: -8.681
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: 6
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -163.887892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.887892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.887892 (E_RNA)
where:
Base-Base interactions energy: -60.974
where: short stacking energy: -51.604
Base-Backbone interact. energy: -1.078
local terms energy: -101.836173
where:
bonds (distance) C4'-P energy: -26.171
bonds (distance) P-C4' energy: -41.521
flat angles C4'-P-C4' energy: -28.722
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: 7.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -682.162712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.162712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.162712 (E_RNA)
where:
Base-Base interactions energy: -451.246
where: short stacking energy: -181.668
Base-Backbone interact. energy: 0.037
local terms energy: -230.953194
where:
bonds (distance) C4'-P energy: -41.588
bonds (distance) P-C4' energy: -46.315
flat angles C4'-P-C4' energy: -49.414
flat angles P-C4'-P energy: -31.654
tors. eta vs tors. theta energy: -61.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -664.391814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.391814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.391814 (E_RNA)
where:
Base-Base interactions energy: -459.502
where: short stacking energy: -202.774
Base-Backbone interact. energy: 0.786
local terms energy: -205.675333
where:
bonds (distance) C4'-P energy: -40.605
bonds (distance) P-C4' energy: -45.365
flat angles C4'-P-C4' energy: -38.191
flat angles P-C4'-P energy: -23.929
tors. eta vs tors. theta energy: -57.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -604.270681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.270681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.270681 (E_RNA)
where:
Base-Base interactions energy: -391.568
where: short stacking energy: -161.858
Base-Backbone interact. energy: -0.236
local terms energy: -212.466129
where:
bonds (distance) C4'-P energy: -41.610
bonds (distance) P-C4' energy: -47.218
flat angles C4'-P-C4' energy: -43.798
flat angles P-C4'-P energy: -27.130
tors. eta vs tors. theta energy: -52.710
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: 4
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -583.871857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.871857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.871857 (E_RNA)
where:
Base-Base interactions energy: -397.614
where: short stacking energy: -145.389
Base-Backbone interact. energy: -0.649
local terms energy: -185.609546
where:
bonds (distance) C4'-P energy: -32.560
bonds (distance) P-C4' energy: -39.637
flat angles C4'-P-C4' energy: -36.894
flat angles P-C4'-P energy: -25.439
tors. eta vs tors. theta energy: -51.079
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: 417
Temperature: 1.100000
Total energy: -553.538549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.538549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.538549 (E_RNA)
where:
Base-Base interactions energy: -355.286
where: short stacking energy: -170.082
Base-Backbone interact. energy: 0.218
local terms energy: -198.471003
where:
bonds (distance) C4'-P energy: -38.721
bonds (distance) P-C4' energy: -33.259
flat angles C4'-P-C4' energy: -44.622
flat angles P-C4'-P energy: -29.007
tors. eta vs tors. theta energy: -52.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -531.739017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.739017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.739017 (E_RNA)
where:
Base-Base interactions energy: -341.029
where: short stacking energy: -169.177
Base-Backbone interact. energy: 0.726
local terms energy: -191.436779
where:
bonds (distance) C4'-P energy: -37.734
bonds (distance) P-C4' energy: -36.872
flat angles C4'-P-C4' energy: -38.455
flat angles P-C4'-P energy: -24.471
tors. eta vs tors. theta energy: -53.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -505.146929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.146929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.146929 (E_RNA)
where:
Base-Base interactions energy: -330.824
where: short stacking energy: -135.032
Base-Backbone interact. energy: -0.228
local terms energy: -174.095227
where:
bonds (distance) C4'-P energy: -35.807
bonds (distance) P-C4' energy: -40.157
flat angles C4'-P-C4' energy: -34.797
flat angles P-C4'-P energy: -28.576
tors. eta vs tors. theta energy: -34.759
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: 8, replica: 10
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -199.939965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.939965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.939965 (E_RNA)
where:
Base-Base interactions energy: -82.729
where: short stacking energy: -61.570
Base-Backbone interact. energy: -0.445
local terms energy: -116.765847
where:
bonds (distance) C4'-P energy: -27.701
bonds (distance) P-C4' energy: -34.764
flat angles C4'-P-C4' energy: -25.671
flat angles P-C4'-P energy: -19.797
tors. eta vs tors. theta energy: -8.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -193.269926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.269926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.269926 (E_RNA)
where:
Base-Base interactions energy: -67.204
where: short stacking energy: -42.361
Base-Backbone interact. energy: -0.221
local terms energy: -125.844825
where:
bonds (distance) C4'-P energy: -32.519
bonds (distance) P-C4' energy: -41.468
flat angles C4'-P-C4' energy: -32.990
flat angles P-C4'-P energy: -19.956
tors. eta vs tors. theta energy: 1.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -166.609762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.609762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.609762 (E_RNA)
where:
Base-Base interactions energy: -57.985
where: short stacking energy: -46.343
Base-Backbone interact. energy: -0.354
local terms energy: -108.271482
where:
bonds (distance) C4'-P energy: -35.820
bonds (distance) P-C4' energy: -35.449
flat angles C4'-P-C4' energy: -29.619
flat angles P-C4'-P energy: -14.722
tors. eta vs tors. theta energy: 7.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -683.317887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.317887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.317887 (E_RNA)
where:
Base-Base interactions energy: -461.546
where: short stacking energy: -191.110
Base-Backbone interact. energy: -0.926
local terms energy: -220.846189
where:
bonds (distance) C4'-P energy: -41.028
bonds (distance) P-C4' energy: -42.809
flat angles C4'-P-C4' energy: -45.035
flat angles P-C4'-P energy: -34.584
tors. eta vs tors. theta energy: -57.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -669.264907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.264907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.264907 (E_RNA)
where:
Base-Base interactions energy: -460.141
where: short stacking energy: -183.703
Base-Backbone interact. energy: -1.041
local terms energy: -208.082961
where:
bonds (distance) C4'-P energy: -40.336
bonds (distance) P-C4' energy: -42.298
flat angles C4'-P-C4' energy: -40.079
flat angles P-C4'-P energy: -28.574
tors. eta vs tors. theta energy: -56.797
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: 418
Temperature: 1.000000
Total energy: -610.602900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.602900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.602900 (E_RNA)
where:
Base-Base interactions energy: -414.396
where: short stacking energy: -157.307
Base-Backbone interact. energy: -0.571
local terms energy: -195.636018
where:
bonds (distance) C4'-P energy: -42.584
bonds (distance) P-C4' energy: -36.356
flat angles C4'-P-C4' energy: -42.607
flat angles P-C4'-P energy: -25.912
tors. eta vs tors. theta energy: -48.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -588.181447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.181447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.181447 (E_RNA)
where:
Base-Base interactions energy: -394.008
where: short stacking energy: -157.882
Base-Backbone interact. energy: -0.293
local terms energy: -193.881046
where:
bonds (distance) C4'-P energy: -32.801
bonds (distance) P-C4' energy: -37.122
flat angles C4'-P-C4' energy: -45.924
flat angles P-C4'-P energy: -28.733
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: 5, replica: 7
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -561.440096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.440096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.440096 (E_RNA)
where:
Base-Base interactions energy: -354.793
where: short stacking energy: -180.844
Base-Backbone interact. energy: 0.137
local terms energy: -206.784004
where:
bonds (distance) C4'-P energy: -33.158
bonds (distance) P-C4' energy: -38.103
flat angles C4'-P-C4' energy: -48.954
flat angles P-C4'-P energy: -30.320
tors. eta vs tors. theta energy: -56.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -530.364328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.364328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.364328 (E_RNA)
where:
Base-Base interactions energy: -355.291
where: short stacking energy: -163.800
Base-Backbone interact. energy: 0.077
local terms energy: -175.150810
where:
bonds (distance) C4'-P energy: -38.906
bonds (distance) P-C4' energy: -40.712
flat angles C4'-P-C4' energy: -25.760
flat angles P-C4'-P energy: -22.951
tors. eta vs tors. theta energy: -46.822
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: 5
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -485.842871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.842871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.842871 (E_RNA)
where:
Base-Base interactions energy: -322.537
where: short stacking energy: -119.850
Base-Backbone interact. energy: 0.862
local terms energy: -164.167664
where:
bonds (distance) C4'-P energy: -38.801
bonds (distance) P-C4' energy: -39.669
flat angles C4'-P-C4' energy: -32.075
flat angles P-C4'-P energy: -21.539
tors. eta vs tors. theta energy: -32.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -188.768621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.768621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.768621 (E_RNA)
where:
Base-Base interactions energy: -61.435
where: short stacking energy: -49.256
Base-Backbone interact. energy: -0.506
local terms energy: -126.828026
where:
bonds (distance) C4'-P energy: -34.545
bonds (distance) P-C4' energy: -31.186
flat angles C4'-P-C4' energy: -30.546
flat angles P-C4'-P energy: -18.446
tors. eta vs tors. theta energy: -12.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -199.726536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.726536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.726536 (E_RNA)
where:
Base-Base interactions energy: -87.137
where: short stacking energy: -50.621
Base-Backbone interact. energy: 5.150
local terms energy: -117.739722
where:
bonds (distance) C4'-P energy: -39.359
bonds (distance) P-C4' energy: -38.914
flat angles C4'-P-C4' energy: -25.711
flat angles P-C4'-P energy: -16.890
tors. eta vs tors. theta energy: 3.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -161.664783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.664783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.664783 (E_RNA)
where:
Base-Base interactions energy: -63.197
where: short stacking energy: -27.915
Base-Backbone interact. energy: -1.993
local terms energy: -96.475270
where:
bonds (distance) C4'-P energy: -33.612
bonds (distance) P-C4' energy: -39.882
flat angles C4'-P-C4' energy: -21.455
flat angles P-C4'-P energy: -15.663
tors. eta vs tors. theta energy: 14.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -679.480764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.480764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.480764 (E_RNA)
where:
Base-Base interactions energy: -474.298
where: short stacking energy: -198.539
Base-Backbone interact. energy: -0.085
local terms energy: -205.097612
where:
bonds (distance) C4'-P energy: -34.689
bonds (distance) P-C4' energy: -35.894
flat angles C4'-P-C4' energy: -40.731
flat angles P-C4'-P energy: -31.359
tors. eta vs tors. theta energy: -62.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -673.380694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.380694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.380694 (E_RNA)
where:
Base-Base interactions energy: -457.221
where: short stacking energy: -198.426
Base-Backbone interact. energy: 0.757
local terms energy: -216.916498
where:
bonds (distance) C4'-P energy: -43.211
bonds (distance) P-C4' energy: -38.579
flat angles C4'-P-C4' energy: -46.142
flat angles P-C4'-P energy: -29.099
tors. eta vs tors. theta energy: -59.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -612.218136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.218136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.218136 (E_RNA)
where:
Base-Base interactions energy: -419.719
where: short stacking energy: -167.671
Base-Backbone interact. energy: -1.341
local terms energy: -191.157682
where:
bonds (distance) C4'-P energy: -38.455
bonds (distance) P-C4' energy: -35.876
flat angles C4'-P-C4' energy: -38.371
flat angles P-C4'-P energy: -30.386
tors. eta vs tors. theta energy: -48.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -564.221926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.221926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.221926 (E_RNA)
where:
Base-Base interactions energy: -365.489
where: short stacking energy: -167.853
Base-Backbone interact. energy: -1.456
local terms energy: -197.277492
where:
bonds (distance) C4'-P energy: -41.527
bonds (distance) P-C4' energy: -38.800
flat angles C4'-P-C4' energy: -37.172
flat angles P-C4'-P energy: -25.921
tors. eta vs tors. theta energy: -53.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -581.562528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.562528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.562528 (E_RNA)
where:
Base-Base interactions energy: -391.226
where: short stacking energy: -161.760
Base-Backbone interact. energy: -0.637
local terms energy: -189.699643
where:
bonds (distance) C4'-P energy: -26.489
bonds (distance) P-C4' energy: -40.874
flat angles C4'-P-C4' energy: -38.245
flat angles P-C4'-P energy: -30.119
tors. eta vs tors. theta energy: -53.973
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: 6, replica: 2
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -550.676839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.676839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.676839 (E_RNA)
where:
Base-Base interactions energy: -374.077
where: short stacking energy: -168.417
Base-Backbone interact. energy: -0.710
local terms energy: -175.890057
where:
bonds (distance) C4'-P energy: -29.172
bonds (distance) P-C4' energy: -30.922
flat angles C4'-P-C4' energy: -39.448
flat angles P-C4'-P energy: -24.940
tors. eta vs tors. theta energy: -51.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -436.850097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.850097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.850097 (E_RNA)
where:
Base-Base interactions energy: -273.296
where: short stacking energy: -124.744
Base-Backbone interact. energy: -0.388
local terms energy: -163.165869
where:
bonds (distance) C4'-P energy: -33.183
bonds (distance) P-C4' energy: -36.919
flat angles C4'-P-C4' energy: -32.878
flat angles P-C4'-P energy: -30.767
tors. eta vs tors. theta energy: -29.419
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: 6
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -217.280530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.280530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.280530 (E_RNA)
where:
Base-Base interactions energy: -89.623
where: short stacking energy: -71.014
Base-Backbone interact. energy: -0.685
local terms energy: -126.971668
where:
bonds (distance) C4'-P energy: -32.549
bonds (distance) P-C4' energy: -35.948
flat angles C4'-P-C4' energy: -26.500
flat angles P-C4'-P energy: -24.641
tors. eta vs tors. theta energy: -7.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -181.314760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.314760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.314760 (E_RNA)
where:
Base-Base interactions energy: -57.524
where: short stacking energy: -44.670
Base-Backbone interact. energy: -0.117
local terms energy: -123.673534
where:
bonds (distance) C4'-P energy: -36.025
bonds (distance) P-C4' energy: -34.851
flat angles C4'-P-C4' energy: -30.525
flat angles P-C4'-P energy: -27.794
tors. eta vs tors. theta energy: 5.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -176.860077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.860077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.860077 (E_RNA)
where:
Base-Base interactions energy: -65.597
where: short stacking energy: -61.674
Base-Backbone interact. energy: 1.800
local terms energy: -113.063557
where:
bonds (distance) C4'-P energy: -31.827
bonds (distance) P-C4' energy: -36.059
flat angles C4'-P-C4' energy: -27.317
flat angles P-C4'-P energy: -23.641
tors. eta vs tors. theta energy: 5.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -688.825204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.825204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.825204 (E_RNA)
where:
Base-Base interactions energy: -470.315
where: short stacking energy: -191.268
Base-Backbone interact. energy: -0.310
local terms energy: -218.200245
where:
bonds (distance) C4'-P energy: -42.650
bonds (distance) P-C4' energy: -42.907
flat angles C4'-P-C4' energy: -43.165
flat angles P-C4'-P energy: -28.108
tors. eta vs tors. theta energy: -61.371
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: 420
Temperature: 0.950000
Total energy: -674.133402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.133402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.133402 (E_RNA)
where:
Base-Base interactions energy: -463.445
where: short stacking energy: -200.981
Base-Backbone interact. energy: 0.202
local terms energy: -210.889712
where:
bonds (distance) C4'-P energy: -38.385
bonds (distance) P-C4' energy: -40.604
flat angles C4'-P-C4' energy: -43.105
flat angles P-C4'-P energy: -29.443
tors. eta vs tors. theta energy: -59.353
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: 4
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -600.231543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.231543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.231543 (E_RNA)
where:
Base-Base interactions energy: -402.812
where: short stacking energy: -171.861
Base-Backbone interact. energy: -0.618
local terms energy: -196.801619
where:
bonds (distance) C4'-P energy: -38.390
bonds (distance) P-C4' energy: -41.147
flat angles C4'-P-C4' energy: -43.072
flat angles P-C4'-P energy: -22.821
tors. eta vs tors. theta energy: -51.372
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: 7
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -562.760039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.760039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.760039 (E_RNA)
where:
Base-Base interactions energy: -356.800
where: short stacking energy: -168.207
Base-Backbone interact. energy: -0.263
local terms energy: -205.696439
where:
bonds (distance) C4'-P energy: -42.355
bonds (distance) P-C4' energy: -40.709
flat angles C4'-P-C4' energy: -36.304
flat angles P-C4'-P energy: -35.399
tors. eta vs tors. theta energy: -50.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -578.698735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.698735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.698735 (E_RNA)
where:
Base-Base interactions energy: -396.994
where: short stacking energy: -164.305
Base-Backbone interact. energy: -0.626
local terms energy: -181.078475
where:
bonds (distance) C4'-P energy: -38.564
bonds (distance) P-C4' energy: -36.324
flat angles C4'-P-C4' energy: -41.405
flat angles P-C4'-P energy: -22.640
tors. eta vs tors. theta energy: -42.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -536.693601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.693601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.693601 (E_RNA)
where:
Base-Base interactions energy: -357.158
where: short stacking energy: -162.412
Base-Backbone interact. energy: -1.415
local terms energy: -178.120274
where:
bonds (distance) C4'-P energy: -34.772
bonds (distance) P-C4' energy: -37.263
flat angles C4'-P-C4' energy: -40.459
flat angles P-C4'-P energy: -18.731
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: 7, replica: 5
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -451.252371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.252371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.252371 (E_RNA)
where:
Base-Base interactions energy: -290.419
where: short stacking energy: -140.935
Base-Backbone interact. energy: 0.628
local terms energy: -161.460817
where:
bonds (distance) C4'-P energy: -26.954
bonds (distance) P-C4' energy: -35.465
flat angles C4'-P-C4' energy: -35.200
flat angles P-C4'-P energy: -26.916
tors. eta vs tors. theta energy: -36.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -209.871690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.871690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.871690 (E_RNA)
where:
Base-Base interactions energy: -80.812
where: short stacking energy: -57.158
Base-Backbone interact. energy: -0.438
local terms energy: -128.622068
where:
bonds (distance) C4'-P energy: -32.100
bonds (distance) P-C4' energy: -34.586
flat angles C4'-P-C4' energy: -35.922
flat angles P-C4'-P energy: -25.706
tors. eta vs tors. theta energy: -0.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -182.585163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.585163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.585163 (E_RNA)
where:
Base-Base interactions energy: -57.068
where: short stacking energy: -49.673
Base-Backbone interact. energy: 1.272
local terms energy: -126.789695
where:
bonds (distance) C4'-P energy: -36.573
bonds (distance) P-C4' energy: -35.650
flat angles C4'-P-C4' energy: -31.821
flat angles P-C4'-P energy: -18.242
tors. eta vs tors. theta energy: -4.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -170.124165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.124165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.124165 (E_RNA)
where:
Base-Base interactions energy: -68.190
where: short stacking energy: -48.771
Base-Backbone interact. energy: -0.409
local terms energy: -101.524538
where:
bonds (distance) C4'-P energy: -31.963
bonds (distance) P-C4' energy: -35.787
flat angles C4'-P-C4' energy: -19.059
flat angles P-C4'-P energy: -17.321
tors. eta vs tors. theta energy: 2.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -683.863399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.863399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.863399 (E_RNA)
where:
Base-Base interactions energy: -466.945
where: short stacking energy: -177.656
Base-Backbone interact. energy: -0.473
local terms energy: -216.445149
where:
bonds (distance) C4'-P energy: -40.957
bonds (distance) P-C4' energy: -39.491
flat angles C4'-P-C4' energy: -46.122
flat angles P-C4'-P energy: -32.571
tors. eta vs tors. theta energy: -57.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -668.592126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.592126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.592126 (E_RNA)
where:
Base-Base interactions energy: -464.277
where: short stacking energy: -199.404
Base-Backbone interact. energy: 1.591
local terms energy: -205.905969
where:
bonds (distance) C4'-P energy: -33.126
bonds (distance) P-C4' energy: -42.834
flat angles C4'-P-C4' energy: -46.121
flat angles P-C4'-P energy: -30.273
tors. eta vs tors. theta energy: -53.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -606.441154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.441154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.441154 (E_RNA)
where:
Base-Base interactions energy: -414.812
where: short stacking energy: -170.149
Base-Backbone interact. energy: -0.910
local terms energy: -190.719180
where:
bonds (distance) C4'-P energy: -36.392
bonds (distance) P-C4' energy: -42.214
flat angles C4'-P-C4' energy: -38.436
flat angles P-C4'-P energy: -20.617
tors. eta vs tors. theta energy: -53.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -596.220869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.220869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.220869 (E_RNA)
where:
Base-Base interactions energy: -405.757
where: short stacking energy: -168.218
Base-Backbone interact. energy: 0.255
local terms energy: -190.718195
where:
bonds (distance) C4'-P energy: -33.022
bonds (distance) P-C4' energy: -34.578
flat angles C4'-P-C4' energy: -45.899
flat angles P-C4'-P energy: -28.095
tors. eta vs tors. theta energy: -49.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -552.971789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.971789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.971789 (E_RNA)
where:
Base-Base interactions energy: -363.220
where: short stacking energy: -168.984
Base-Backbone interact. energy: -0.519
local terms energy: -189.233308
where:
bonds (distance) C4'-P energy: -42.031
bonds (distance) P-C4' energy: -33.109
flat angles C4'-P-C4' energy: -36.679
flat angles P-C4'-P energy: -26.266
tors. eta vs tors. theta energy: -51.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -540.787217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.787217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.787217 (E_RNA)
where:
Base-Base interactions energy: -366.017
where: short stacking energy: -185.949
Base-Backbone interact. energy: 0.387
local terms energy: -175.157246
where:
bonds (distance) C4'-P energy: -31.690
bonds (distance) P-C4' energy: -25.406
flat angles C4'-P-C4' energy: -37.480
flat angles P-C4'-P energy: -30.258
tors. eta vs tors. theta energy: -50.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -454.451010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.451010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.451010 (E_RNA)
where:
Base-Base interactions energy: -291.022
where: short stacking energy: -130.914
Base-Backbone interact. energy: -0.458
local terms energy: -162.970963
where:
bonds (distance) C4'-P energy: -39.669
bonds (distance) P-C4' energy: -32.551
flat angles C4'-P-C4' energy: -37.169
flat angles P-C4'-P energy: -20.266
tors. eta vs tors. theta energy: -33.316
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: 8, replica: 6
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -199.352215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.352215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.352215 (E_RNA)
where:
Base-Base interactions energy: -73.494
where: short stacking energy: -58.050
Base-Backbone interact. energy: -0.762
local terms energy: -125.096184
where:
bonds (distance) C4'-P energy: -33.421
bonds (distance) P-C4' energy: -40.527
flat angles C4'-P-C4' energy: -25.508
flat angles P-C4'-P energy: -14.626
tors. eta vs tors. theta energy: -11.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -181.102856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.102856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.102856 (E_RNA)
where:
Base-Base interactions energy: -60.360
where: short stacking energy: -46.984
Base-Backbone interact. energy: -0.416
local terms energy: -120.326741
where:
bonds (distance) C4'-P energy: -27.792
bonds (distance) P-C4' energy: -33.890
flat angles C4'-P-C4' energy: -40.239
flat angles P-C4'-P energy: -20.478
tors. eta vs tors. theta energy: 2.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -172.423794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.423794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.423794 (E_RNA)
where:
Base-Base interactions energy: -62.302
where: short stacking energy: -41.263
Base-Backbone interact. energy: 0.019
local terms energy: -110.140748
where:
bonds (distance) C4'-P energy: -32.788
bonds (distance) P-C4' energy: -37.955
flat angles C4'-P-C4' energy: -29.735
flat angles P-C4'-P energy: -15.438
tors. eta vs tors. theta energy: 5.775
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: 3
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -687.886462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.886462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.886462 (E_RNA)
where:
Base-Base interactions energy: -488.866
where: short stacking energy: -189.842
Base-Backbone interact. energy: -0.100
local terms energy: -198.920870
where:
bonds (distance) C4'-P energy: -30.309
bonds (distance) P-C4' energy: -37.223
flat angles C4'-P-C4' energy: -42.030
flat angles P-C4'-P energy: -28.851
tors. eta vs tors. theta energy: -60.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -671.221500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.221500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.221500 (E_RNA)
where:
Base-Base interactions energy: -449.117
where: short stacking energy: -194.451
Base-Backbone interact. energy: -1.033
local terms energy: -221.071796
where:
bonds (distance) C4'-P energy: -39.879
bonds (distance) P-C4' energy: -42.219
flat angles C4'-P-C4' energy: -43.593
flat angles P-C4'-P energy: -33.745
tors. eta vs tors. theta energy: -61.637
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: 3, replica: 9
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -627.448418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.448418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.448418 (E_RNA)
where:
Base-Base interactions energy: -420.908
where: short stacking energy: -179.686
Base-Backbone interact. energy: -0.616
local terms energy: -205.924352
where:
bonds (distance) C4'-P energy: -42.649
bonds (distance) P-C4' energy: -38.946
flat angles C4'-P-C4' energy: -43.281
flat angles P-C4'-P energy: -29.337
tors. eta vs tors. theta energy: -51.712
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: 4
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -597.082861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.082861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.082861 (E_RNA)
where:
Base-Base interactions energy: -392.871
where: short stacking energy: -163.184
Base-Backbone interact. energy: -0.144
local terms energy: -204.067683
where:
bonds (distance) C4'-P energy: -36.265
bonds (distance) P-C4' energy: -37.511
flat angles C4'-P-C4' energy: -49.480
flat angles P-C4'-P energy: -23.062
tors. eta vs tors. theta energy: -57.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -542.257579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.257579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.257579 (E_RNA)
where:
Base-Base interactions energy: -343.694
where: short stacking energy: -167.198
Base-Backbone interact. energy: -0.270
local terms energy: -198.292908
where:
bonds (distance) C4'-P energy: -44.816
bonds (distance) P-C4' energy: -38.554
flat angles C4'-P-C4' energy: -42.965
flat angles P-C4'-P energy: -20.110
tors. eta vs tors. theta energy: -51.846
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: 2
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -565.349548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.349548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.349548 (E_RNA)
where:
Base-Base interactions energy: -378.768
where: short stacking energy: -174.270
Base-Backbone interact. energy: -0.234
local terms energy: -186.347506
where:
bonds (distance) C4'-P energy: -35.353
bonds (distance) P-C4' energy: -38.098
flat angles C4'-P-C4' energy: -38.532
flat angles P-C4'-P energy: -23.569
tors. eta vs tors. theta energy: -50.795
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: 7, replica: 5
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -496.080674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.080674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.080674 (E_RNA)
where:
Base-Base interactions energy: -318.874
where: short stacking energy: -140.354
Base-Backbone interact. energy: -1.313
local terms energy: -175.893252
where:
bonds (distance) C4'-P energy: -43.188
bonds (distance) P-C4' energy: -32.225
flat angles C4'-P-C4' energy: -35.951
flat angles P-C4'-P energy: -24.541
tors. eta vs tors. theta energy: -39.989
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: 6
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -188.740441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.740441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.740441 (E_RNA)
where:
Base-Base interactions energy: -70.806
where: short stacking energy: -57.471
Base-Backbone interact. energy: 0.246
local terms energy: -118.180581
where:
bonds (distance) C4'-P energy: -32.274
bonds (distance) P-C4' energy: -37.112
flat angles C4'-P-C4' energy: -33.434
flat angles P-C4'-P energy: -14.468
tors. eta vs tors. theta energy: -0.893
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: 9, replica: 8
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -177.194570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.194570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.194570 (E_RNA)
where:
Base-Base interactions energy: -66.114
where: short stacking energy: -53.016
Base-Backbone interact. energy: 2.096
local terms energy: -113.176535
where:
bonds (distance) C4'-P energy: -32.211
bonds (distance) P-C4' energy: -38.613
flat angles C4'-P-C4' energy: -30.453
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: 2.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -172.039694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.039694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.039694 (E_RNA)
where:
Base-Base interactions energy: -53.339
where: short stacking energy: -50.838
Base-Backbone interact. energy: 0.977
local terms energy: -119.677850
where:
bonds (distance) C4'-P energy: -36.005
bonds (distance) P-C4' energy: -30.952
flat angles C4'-P-C4' energy: -28.714
flat angles P-C4'-P energy: -28.190
tors. eta vs tors. theta energy: 4.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -696.834126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.834126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.834126 (E_RNA)
where:
Base-Base interactions energy: -479.525
where: short stacking energy: -195.265
Base-Backbone interact. energy: -0.449
local terms energy: -216.860336
where:
bonds (distance) C4'-P energy: -41.095
bonds (distance) P-C4' energy: -35.146
flat angles C4'-P-C4' energy: -48.050
flat angles P-C4'-P energy: -32.258
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: 2, replica: 9
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -617.750928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.750928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.750928 (E_RNA)
where:
Base-Base interactions energy: -420.091
where: short stacking energy: -186.511
Base-Backbone interact. energy: -0.371
local terms energy: -197.288301
where:
bonds (distance) C4'-P energy: -34.926
bonds (distance) P-C4' energy: -34.367
flat angles C4'-P-C4' energy: -44.612
flat angles P-C4'-P energy: -29.450
tors. eta vs tors. theta energy: -53.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -654.973119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.973119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.973119 (E_RNA)
where:
Base-Base interactions energy: -439.510
where: short stacking energy: -200.879
Base-Backbone interact. energy: -0.640
local terms energy: -214.822764
where:
bonds (distance) C4'-P energy: -46.087
bonds (distance) P-C4' energy: -45.797
flat angles C4'-P-C4' energy: -40.146
flat angles P-C4'-P energy: -26.378
tors. eta vs tors. theta energy: -56.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -589.652374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.652374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.652374 (E_RNA)
where:
Base-Base interactions energy: -393.478
where: short stacking energy: -159.957
Base-Backbone interact. energy: -0.014
local terms energy: -196.160444
where:
bonds (distance) C4'-P energy: -37.560
bonds (distance) P-C4' energy: -35.172
flat angles C4'-P-C4' energy: -44.659
flat angles P-C4'-P energy: -25.581
tors. eta vs tors. theta energy: -53.188
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: 7
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -546.347857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.347857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.347857 (E_RNA)
where:
Base-Base interactions energy: -349.637
where: short stacking energy: -172.102
Base-Backbone interact. energy: -0.294
local terms energy: -196.417597
where:
bonds (distance) C4'-P energy: -36.183
bonds (distance) P-C4' energy: -37.560
flat angles C4'-P-C4' energy: -34.504
flat angles P-C4'-P energy: -29.371
tors. eta vs tors. theta energy: -58.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -550.125940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.125940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.125940 (E_RNA)
where:
Base-Base interactions energy: -356.117
where: short stacking energy: -183.309
Base-Backbone interact. energy: 2.865
local terms energy: -196.874787
where:
bonds (distance) C4'-P energy: -37.464
bonds (distance) P-C4' energy: -34.767
flat angles C4'-P-C4' energy: -40.904
flat angles P-C4'-P energy: -30.574
tors. eta vs tors. theta energy: -53.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -467.555578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.555578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.555578 (E_RNA)
where:
Base-Base interactions energy: -293.259
where: short stacking energy: -119.448
Base-Backbone interact. energy: -0.655
local terms energy: -173.641730
where:
bonds (distance) C4'-P energy: -43.951
bonds (distance) P-C4' energy: -36.362
flat angles C4'-P-C4' energy: -33.905
flat angles P-C4'-P energy: -25.146
tors. eta vs tors. theta energy: -34.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -209.299520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.299520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.299520 (E_RNA)
where:
Base-Base interactions energy: -87.522
where: short stacking energy: -56.788
Base-Backbone interact. energy: -1.083
local terms energy: -120.693941
where:
bonds (distance) C4'-P energy: -25.759
bonds (distance) P-C4' energy: -42.423
flat angles C4'-P-C4' energy: -34.420
flat angles P-C4'-P energy: -18.820
tors. eta vs tors. theta energy: 0.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -172.907467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.907467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.907467 (E_RNA)
where:
Base-Base interactions energy: -57.240
where: short stacking energy: -47.518
Base-Backbone interact. energy: 0.927
local terms energy: -116.594784
where:
bonds (distance) C4'-P energy: -41.017
bonds (distance) P-C4' energy: -38.459
flat angles C4'-P-C4' energy: -28.850
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -0.132
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: 10
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -179.426114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.426114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.426114 (E_RNA)
where:
Base-Base interactions energy: -52.112
where: short stacking energy: -46.457
Base-Backbone interact. energy: -0.528
local terms energy: -126.786127
where:
bonds (distance) C4'-P energy: -36.494
bonds (distance) P-C4' energy: -42.751
flat angles C4'-P-C4' energy: -28.277
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -7.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -680.461107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.461107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.461107 (E_RNA)
where:
Base-Base interactions energy: -453.836
where: short stacking energy: -189.819
Base-Backbone interact. energy: -0.598
local terms energy: -226.027351
where:
bonds (distance) C4'-P energy: -45.180
bonds (distance) P-C4' energy: -42.119
flat angles C4'-P-C4' energy: -44.454
flat angles P-C4'-P energy: -28.980
tors. eta vs tors. theta energy: -65.294
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: 9
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -604.317964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.317964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.317964 (E_RNA)
where:
Base-Base interactions energy: -411.002
where: short stacking energy: -156.786
Base-Backbone interact. energy: -0.283
local terms energy: -193.033101
where:
bonds (distance) C4'-P energy: -36.129
bonds (distance) P-C4' energy: -41.316
flat angles C4'-P-C4' energy: -37.089
flat angles P-C4'-P energy: -26.297
tors. eta vs tors. theta energy: -52.202
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: 3, replica: 1
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -666.272357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.272357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.272357 (E_RNA)
where:
Base-Base interactions energy: -455.835
where: short stacking energy: -202.274
Base-Backbone interact. energy: -0.977
local terms energy: -209.460692
where:
bonds (distance) C4'-P energy: -38.382
bonds (distance) P-C4' energy: -40.205
flat angles C4'-P-C4' energy: -42.884
flat angles P-C4'-P energy: -28.792
tors. eta vs tors. theta energy: -59.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -597.161123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.161123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.161123 (E_RNA)
where:
Base-Base interactions energy: -398.319
where: short stacking energy: -188.067
Base-Backbone interact. energy: -0.148
local terms energy: -198.693631
where:
bonds (distance) C4'-P energy: -40.426
bonds (distance) P-C4' energy: -36.168
flat angles C4'-P-C4' energy: -38.583
flat angles P-C4'-P energy: -31.491
tors. eta vs tors. theta energy: -52.026
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: 2
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -554.892255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.892255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.892255 (E_RNA)
where:
Base-Base interactions energy: -360.733
where: short stacking energy: -177.463
Base-Backbone interact. energy: -0.325
local terms energy: -193.834656
where:
bonds (distance) C4'-P energy: -30.159
bonds (distance) P-C4' energy: -36.284
flat angles C4'-P-C4' energy: -45.008
flat angles P-C4'-P energy: -33.381
tors. eta vs tors. theta energy: -49.003
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: 7
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -511.293299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.293299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.293299 (E_RNA)
where:
Base-Base interactions energy: -338.266
where: short stacking energy: -159.707
Base-Backbone interact. energy: -0.547
local terms energy: -172.480535
where:
bonds (distance) C4'-P energy: -31.893
bonds (distance) P-C4' energy: -36.276
flat angles C4'-P-C4' energy: -32.885
flat angles P-C4'-P energy: -25.923
tors. eta vs tors. theta energy: -45.504
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: 5
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -472.631962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.631962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.631962 (E_RNA)
where:
Base-Base interactions energy: -302.788
where: short stacking energy: -145.280
Base-Backbone interact. energy: -0.366
local terms energy: -169.477696
where:
bonds (distance) C4'-P energy: -40.699
bonds (distance) P-C4' energy: -33.556
flat angles C4'-P-C4' energy: -36.430
flat angles P-C4'-P energy: -18.472
tors. eta vs tors. theta energy: -40.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -206.334056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.334056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.334056 (E_RNA)
where:
Base-Base interactions energy: -80.089
where: short stacking energy: -46.589
Base-Backbone interact. energy: -0.417
local terms energy: -125.828306
where:
bonds (distance) C4'-P energy: -37.474
bonds (distance) P-C4' energy: -41.293
flat angles C4'-P-C4' energy: -34.813
flat angles P-C4'-P energy: -18.896
tors. eta vs tors. theta energy: 6.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -182.725057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.725057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.725057 (E_RNA)
where:
Base-Base interactions energy: -58.438
where: short stacking energy: -58.438
Base-Backbone interact. energy: 2.184
local terms energy: -126.470603
where:
bonds (distance) C4'-P energy: -34.962
bonds (distance) P-C4' energy: -32.565
flat angles C4'-P-C4' energy: -35.140
flat angles P-C4'-P energy: -20.795
tors. eta vs tors. theta energy: -3.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -168.786945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.786945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.786945 (E_RNA)
where:
Base-Base interactions energy: -66.311
where: short stacking energy: -20.756
Base-Backbone interact. energy: -1.640
local terms energy: -100.836143
where:
bonds (distance) C4'-P energy: -36.104
bonds (distance) P-C4' energy: -24.210
flat angles C4'-P-C4' energy: -26.370
flat angles P-C4'-P energy: -19.713
tors. eta vs tors. theta energy: 5.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -677.412994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.412994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.412994 (E_RNA)
where:
Base-Base interactions energy: -464.380
where: short stacking energy: -187.280
Base-Backbone interact. energy: -1.140
local terms energy: -211.893612
where:
bonds (distance) C4'-P energy: -42.381
bonds (distance) P-C4' energy: -42.658
flat angles C4'-P-C4' energy: -36.472
flat angles P-C4'-P energy: -30.866
tors. eta vs tors. theta energy: -59.517
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: 1
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -669.503605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.503605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.503605 (E_RNA)
where:
Base-Base interactions energy: -461.504
where: short stacking energy: -209.525
Base-Backbone interact. energy: -1.392
local terms energy: -206.607706
where:
bonds (distance) C4'-P energy: -28.355
bonds (distance) P-C4' energy: -42.192
flat angles C4'-P-C4' energy: -46.852
flat angles P-C4'-P energy: -27.754
tors. eta vs tors. theta energy: -61.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -605.491230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.491230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.491230 (E_RNA)
where:
Base-Base interactions energy: -399.531
where: short stacking energy: -161.441
Base-Backbone interact. energy: -0.412
local terms energy: -205.547942
where:
bonds (distance) C4'-P energy: -40.057
bonds (distance) P-C4' energy: -39.242
flat angles C4'-P-C4' energy: -45.759
flat angles P-C4'-P energy: -28.248
tors. eta vs tors. theta energy: -52.242
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: 4
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -603.407340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.407340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.407340 (E_RNA)
where:
Base-Base interactions energy: -411.380
where: short stacking energy: -168.426
Base-Backbone interact. energy: -0.498
local terms energy: -191.529237
where:
bonds (distance) C4'-P energy: -40.257
bonds (distance) P-C4' energy: -38.833
flat angles C4'-P-C4' energy: -34.983
flat angles P-C4'-P energy: -24.622
tors. eta vs tors. theta energy: -52.833
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: 2
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -568.338891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.338891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.338891 (E_RNA)
where:
Base-Base interactions energy: -378.311
where: short stacking energy: -180.570
Base-Backbone interact. energy: -0.247
local terms energy: -189.781493
where:
bonds (distance) C4'-P energy: -40.055
bonds (distance) P-C4' energy: -34.893
flat angles C4'-P-C4' energy: -36.223
flat angles P-C4'-P energy: -17.895
tors. eta vs tors. theta energy: -60.715
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: 7
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -524.901402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.901402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.901402 (E_RNA)
where:
Base-Base interactions energy: -324.941
where: short stacking energy: -161.355
Base-Backbone interact. energy: -0.112
local terms energy: -199.848235
where:
bonds (distance) C4'-P energy: -33.108
bonds (distance) P-C4' energy: -43.995
flat angles C4'-P-C4' energy: -39.738
flat angles P-C4'-P energy: -28.873
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: 7, replica: 5
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -456.825303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.825303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.825303 (E_RNA)
where:
Base-Base interactions energy: -300.463
where: short stacking energy: -129.670
Base-Backbone interact. energy: -0.225
local terms energy: -156.137619
where:
bonds (distance) C4'-P energy: -30.880
bonds (distance) P-C4' energy: -31.421
flat angles C4'-P-C4' energy: -39.104
flat angles P-C4'-P energy: -16.940
tors. eta vs tors. theta energy: -37.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -186.602179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.602179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.602179 (E_RNA)
where:
Base-Base interactions energy: -64.357
where: short stacking energy: -55.453
Base-Backbone interact. energy: -0.930
local terms energy: -121.315289
where:
bonds (distance) C4'-P energy: -40.588
bonds (distance) P-C4' energy: -28.687
flat angles C4'-P-C4' energy: -31.972
flat angles P-C4'-P energy: -26.917
tors. eta vs tors. theta energy: 6.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -187.143147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.143147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.143147 (E_RNA)
where:
Base-Base interactions energy: -55.618
where: short stacking energy: -50.214
Base-Backbone interact. energy: -1.093
local terms energy: -130.432291
where:
bonds (distance) C4'-P energy: -26.322
bonds (distance) P-C4' energy: -35.262
flat angles C4'-P-C4' energy: -34.072
flat angles P-C4'-P energy: -23.613
tors. eta vs tors. theta energy: -11.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -189.750229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.750229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.750229 (E_RNA)
where:
Base-Base interactions energy: -61.660
where: short stacking energy: -57.167
Base-Backbone interact. energy: 1.064
local terms energy: -129.155185
where:
bonds (distance) C4'-P energy: -33.191
bonds (distance) P-C4' energy: -43.243
flat angles C4'-P-C4' energy: -36.761
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: -1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -691.731910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.731910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.731910 (E_RNA)
where:
Base-Base interactions energy: -468.301
where: short stacking energy: -200.559
Base-Backbone interact. energy: -0.727
local terms energy: -222.703803
where:
bonds (distance) C4'-P energy: -38.004
bonds (distance) P-C4' energy: -45.802
flat angles C4'-P-C4' energy: -45.318
flat angles P-C4'-P energy: -33.290
tors. eta vs tors. theta energy: -60.290
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: 3
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -674.973790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.973790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.973790 (E_RNA)
where:
Base-Base interactions energy: -463.474
where: short stacking energy: -183.736
Base-Backbone interact. energy: -0.890
local terms energy: -210.609822
where:
bonds (distance) C4'-P energy: -41.243
bonds (distance) P-C4' energy: -40.089
flat angles C4'-P-C4' energy: -41.754
flat angles P-C4'-P energy: -24.059
tors. eta vs tors. theta energy: -63.464
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: 426
Temperature: 1.000000
Total energy: -619.636158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.636158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.636158 (E_RNA)
where:
Base-Base interactions energy: -417.657
where: short stacking energy: -198.501
Base-Backbone interact. energy: 0.082
local terms energy: -202.060861
where:
bonds (distance) C4'-P energy: -37.809
bonds (distance) P-C4' energy: -33.236
flat angles C4'-P-C4' energy: -41.096
flat angles P-C4'-P energy: -29.885
tors. eta vs tors. theta energy: -60.035
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: 4, replica: 9
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -582.672515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.672515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.672515 (E_RNA)
where:
Base-Base interactions energy: -397.373
where: short stacking energy: -165.646
Base-Backbone interact. energy: -0.211
local terms energy: -185.088016
where:
bonds (distance) C4'-P energy: -34.190
bonds (distance) P-C4' energy: -29.643
flat angles C4'-P-C4' energy: -46.027
flat angles P-C4'-P energy: -24.021
tors. eta vs tors. theta energy: -51.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -577.205190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.205190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.205190 (E_RNA)
where:
Base-Base interactions energy: -377.605
where: short stacking energy: -174.447
Base-Backbone interact. energy: -0.737
local terms energy: -198.863865
where:
bonds (distance) C4'-P energy: -37.611
bonds (distance) P-C4' energy: -35.198
flat angles C4'-P-C4' energy: -45.264
flat angles P-C4'-P energy: -26.262
tors. eta vs tors. theta energy: -54.528
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: 426
Temperature: 1.150000
Total energy: -533.220875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.220875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.220875 (E_RNA)
where:
Base-Base interactions energy: -341.948
where: short stacking energy: -162.241
Base-Backbone interact. energy: -0.434
local terms energy: -190.838328
where:
bonds (distance) C4'-P energy: -37.751
bonds (distance) P-C4' energy: -35.455
flat angles C4'-P-C4' energy: -38.559
flat angles P-C4'-P energy: -32.499
tors. eta vs tors. theta energy: -46.574
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: 5
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -471.578101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.578101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.578101 (E_RNA)
where:
Base-Base interactions energy: -301.437
where: short stacking energy: -140.440
Base-Backbone interact. energy: -0.911
local terms energy: -169.230082
where:
bonds (distance) C4'-P energy: -29.084
bonds (distance) P-C4' energy: -40.560
flat angles C4'-P-C4' energy: -35.779
flat angles P-C4'-P energy: -23.576
tors. eta vs tors. theta energy: -40.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -187.619359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.619359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.619359 (E_RNA)
where:
Base-Base interactions energy: -61.714
where: short stacking energy: -48.860
Base-Backbone interact. energy: -1.509
local terms energy: -124.396504
where:
bonds (distance) C4'-P energy: -35.421
bonds (distance) P-C4' energy: -37.499
flat angles C4'-P-C4' energy: -30.556
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -9.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -180.229634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.229634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.229634 (E_RNA)
where:
Base-Base interactions energy: -57.939
where: short stacking energy: -46.063
Base-Backbone interact. energy: -0.968
local terms energy: -121.323179
where:
bonds (distance) C4'-P energy: -38.545
bonds (distance) P-C4' energy: -36.854
flat angles C4'-P-C4' energy: -30.335
flat angles P-C4'-P energy: -20.504
tors. eta vs tors. theta energy: 4.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -176.586911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.586911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.586911 (E_RNA)
where:
Base-Base interactions energy: -54.943
where: short stacking energy: -55.091
Base-Backbone interact. energy: 0.543
local terms energy: -122.186903
where:
bonds (distance) C4'-P energy: -28.990
bonds (distance) P-C4' energy: -33.765
flat angles C4'-P-C4' energy: -34.734
flat angles P-C4'-P energy: -24.101
tors. eta vs tors. theta energy: -0.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -675.179583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.179583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.179583 (E_RNA)
where:
Base-Base interactions energy: -464.795
where: short stacking energy: -203.315
Base-Backbone interact. energy: 2.810
local terms energy: -213.195095
where:
bonds (distance) C4'-P energy: -36.040
bonds (distance) P-C4' energy: -41.805
flat angles C4'-P-C4' energy: -47.721
flat angles P-C4'-P energy: -26.841
tors. eta vs tors. theta energy: -60.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -659.660529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.660529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.660529 (E_RNA)
where:
Base-Base interactions energy: -450.732
where: short stacking energy: -175.736
Base-Backbone interact. energy: 2.406
local terms energy: -211.334512
where:
bonds (distance) C4'-P energy: -34.643
bonds (distance) P-C4' energy: -44.094
flat angles C4'-P-C4' energy: -46.636
flat angles P-C4'-P energy: -27.175
tors. eta vs tors. theta energy: -58.786
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: 4
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -606.175027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.175027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.175027 (E_RNA)
where:
Base-Base interactions energy: -401.518
where: short stacking energy: -172.977
Base-Backbone interact. energy: -0.661
local terms energy: -203.996270
where:
bonds (distance) C4'-P energy: -37.003
bonds (distance) P-C4' energy: -40.998
flat angles C4'-P-C4' energy: -44.501
flat angles P-C4'-P energy: -21.678
tors. eta vs tors. theta energy: -59.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -602.655876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.655876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.655876 (E_RNA)
where:
Base-Base interactions energy: -396.368
where: short stacking energy: -176.500
Base-Backbone interact. energy: -0.290
local terms energy: -205.998246
where:
bonds (distance) C4'-P energy: -34.438
bonds (distance) P-C4' energy: -44.728
flat angles C4'-P-C4' energy: -41.941
flat angles P-C4'-P energy: -22.711
tors. eta vs tors. theta energy: -62.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -565.858057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.858057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.858057 (E_RNA)
where:
Base-Base interactions energy: -375.723
where: short stacking energy: -172.056
Base-Backbone interact. energy: -0.082
local terms energy: -190.052859
where:
bonds (distance) C4'-P energy: -39.595
bonds (distance) P-C4' energy: -38.345
flat angles C4'-P-C4' energy: -37.789
flat angles P-C4'-P energy: -22.895
tors. eta vs tors. theta energy: -51.429
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: 7
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -530.991472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.991472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.991472 (E_RNA)
where:
Base-Base interactions energy: -345.603
where: short stacking energy: -157.555
Base-Backbone interact. energy: -0.766
local terms energy: -184.622645
where:
bonds (distance) C4'-P energy: -36.228
bonds (distance) P-C4' energy: -43.635
flat angles C4'-P-C4' energy: -39.713
flat angles P-C4'-P energy: -25.127
tors. eta vs tors. theta energy: -39.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -467.664848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.664848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.664848 (E_RNA)
where:
Base-Base interactions energy: -301.794
where: short stacking energy: -129.981
Base-Backbone interact. energy: 0.281
local terms energy: -166.152120
where:
bonds (distance) C4'-P energy: -35.409
bonds (distance) P-C4' energy: -38.650
flat angles C4'-P-C4' energy: -32.430
flat angles P-C4'-P energy: -28.396
tors. eta vs tors. theta energy: -31.267
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: 10
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -217.678564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.678564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.678564 (E_RNA)
where:
Base-Base interactions energy: -94.075
where: short stacking energy: -61.000
Base-Backbone interact. energy: -2.870
local terms energy: -120.732872
where:
bonds (distance) C4'-P energy: -32.461
bonds (distance) P-C4' energy: -30.160
flat angles C4'-P-C4' energy: -35.093
flat angles P-C4'-P energy: -18.225
tors. eta vs tors. theta energy: -4.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -175.313791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.313791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.313791 (E_RNA)
where:
Base-Base interactions energy: -49.702
where: short stacking energy: -49.702
Base-Backbone interact. energy: -0.084
local terms energy: -125.528423
where:
bonds (distance) C4'-P energy: -35.532
bonds (distance) P-C4' energy: -36.809
flat angles C4'-P-C4' energy: -25.715
flat angles P-C4'-P energy: -22.657
tors. eta vs tors. theta energy: -4.814
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: 427
Temperature: 1.350000
Total energy: -159.153442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.153442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.153442 (E_RNA)
where:
Base-Base interactions energy: -48.338
where: short stacking energy: -37.212
Base-Backbone interact. energy: -0.140
local terms energy: -110.674846
where:
bonds (distance) C4'-P energy: -36.921
bonds (distance) P-C4' energy: -37.376
flat angles C4'-P-C4' energy: -38.483
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: 12.563
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: 3
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -682.239340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.239340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.239340 (E_RNA)
where:
Base-Base interactions energy: -472.514
where: short stacking energy: -189.341
Base-Backbone interact. energy: 0.633
local terms energy: -210.358736
where:
bonds (distance) C4'-P energy: -37.921
bonds (distance) P-C4' energy: -42.091
flat angles C4'-P-C4' energy: -48.695
flat angles P-C4'-P energy: -19.699
tors. eta vs tors. theta energy: -61.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -681.647251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.647251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.647251 (E_RNA)
where:
Base-Base interactions energy: -460.674
where: short stacking energy: -207.035
Base-Backbone interact. energy: -0.713
local terms energy: -220.260286
where:
bonds (distance) C4'-P energy: -39.041
bonds (distance) P-C4' energy: -39.927
flat angles C4'-P-C4' energy: -45.144
flat angles P-C4'-P energy: -36.388
tors. eta vs tors. theta energy: -59.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -607.685055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.685055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.685055 (E_RNA)
where:
Base-Base interactions energy: -405.460
where: short stacking energy: -164.213
Base-Backbone interact. energy: -0.251
local terms energy: -201.973647
where:
bonds (distance) C4'-P energy: -38.987
bonds (distance) P-C4' energy: -36.492
flat angles C4'-P-C4' energy: -38.100
flat angles P-C4'-P energy: -33.129
tors. eta vs tors. theta energy: -55.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -593.278447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.278447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.278447 (E_RNA)
where:
Base-Base interactions energy: -413.087
where: short stacking energy: -171.942
Base-Backbone interact. energy: 1.157
local terms energy: -181.348041
where:
bonds (distance) C4'-P energy: -29.120
bonds (distance) P-C4' energy: -42.285
flat angles C4'-P-C4' energy: -35.028
flat angles P-C4'-P energy: -28.555
tors. eta vs tors. theta energy: -46.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -554.077780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.077780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.077780 (E_RNA)
where:
Base-Base interactions energy: -357.593
where: short stacking energy: -169.060
Base-Backbone interact. energy: -0.231
local terms energy: -196.253636
where:
bonds (distance) C4'-P energy: -39.447
bonds (distance) P-C4' energy: -38.181
flat angles C4'-P-C4' energy: -36.178
flat angles P-C4'-P energy: -31.410
tors. eta vs tors. theta energy: -51.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -554.762516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.762516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.762516 (E_RNA)
where:
Base-Base interactions energy: -369.414
where: short stacking energy: -152.899
Base-Backbone interact. energy: -0.037
local terms energy: -185.311561
where:
bonds (distance) C4'-P energy: -42.714
bonds (distance) P-C4' energy: -33.364
flat angles C4'-P-C4' energy: -32.832
flat angles P-C4'-P energy: -24.403
tors. eta vs tors. theta energy: -51.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -461.630997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.630997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.630997 (E_RNA)
where:
Base-Base interactions energy: -315.751
where: short stacking energy: -123.816
Base-Backbone interact. energy: 6.362
local terms energy: -152.241542
where:
bonds (distance) C4'-P energy: -27.347
bonds (distance) P-C4' energy: -34.552
flat angles C4'-P-C4' energy: -40.405
flat angles P-C4'-P energy: -17.998
tors. eta vs tors. theta energy: -31.939
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: 10
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -191.437928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.437928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.437928 (E_RNA)
where:
Base-Base interactions energy: -68.036
where: short stacking energy: -57.078
Base-Backbone interact. energy: -1.920
local terms energy: -121.482020
where:
bonds (distance) C4'-P energy: -34.730
bonds (distance) P-C4' energy: -27.688
flat angles C4'-P-C4' energy: -30.712
flat angles P-C4'-P energy: -18.830
tors. eta vs tors. theta energy: -9.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -191.516593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.516593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.516593 (E_RNA)
where:
Base-Base interactions energy: -72.274
where: short stacking energy: -50.523
Base-Backbone interact. energy: -0.817
local terms energy: -118.425082
where:
bonds (distance) C4'-P energy: -34.540
bonds (distance) P-C4' energy: -38.770
flat angles C4'-P-C4' energy: -37.892
flat angles P-C4'-P energy: -16.251
tors. eta vs tors. theta energy: 9.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -171.950064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.950064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.950064 (E_RNA)
where:
Base-Base interactions energy: -52.751
where: short stacking energy: -40.270
Base-Backbone interact. energy: -0.277
local terms energy: -118.921594
where:
bonds (distance) C4'-P energy: -34.534
bonds (distance) P-C4' energy: -39.016
flat angles C4'-P-C4' energy: -23.912
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -6.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -686.930361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.930361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.930361 (E_RNA)
where:
Base-Base interactions energy: -479.009
where: short stacking energy: -194.086
Base-Backbone interact. energy: -0.622
local terms energy: -207.299373
where:
bonds (distance) C4'-P energy: -40.696
bonds (distance) P-C4' energy: -34.412
flat angles C4'-P-C4' energy: -44.941
flat angles P-C4'-P energy: -23.087
tors. eta vs tors. theta energy: -64.164
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: 429
Temperature: 0.950000
Total energy: -671.986254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.986254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.986254 (E_RNA)
where:
Base-Base interactions energy: -455.311
where: short stacking energy: -207.290
Base-Backbone interact. energy: -0.623
local terms energy: -216.051912
where:
bonds (distance) C4'-P energy: -42.629
bonds (distance) P-C4' energy: -38.456
flat angles C4'-P-C4' energy: -43.518
flat angles P-C4'-P energy: -29.784
tors. eta vs tors. theta energy: -61.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -612.675182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.675182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.675182 (E_RNA)
where:
Base-Base interactions energy: -402.219
where: short stacking energy: -174.390
Base-Backbone interact. energy: -0.154
local terms energy: -210.302695
where:
bonds (distance) C4'-P energy: -37.566
bonds (distance) P-C4' energy: -36.985
flat angles C4'-P-C4' energy: -42.305
flat angles P-C4'-P energy: -33.203
tors. eta vs tors. theta energy: -60.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -590.365557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.365557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.365557 (E_RNA)
where:
Base-Base interactions energy: -407.285
where: short stacking energy: -170.595
Base-Backbone interact. energy: 0.723
local terms energy: -183.804090
where:
bonds (distance) C4'-P energy: -32.449
bonds (distance) P-C4' energy: -33.116
flat angles C4'-P-C4' energy: -44.492
flat angles P-C4'-P energy: -20.124
tors. eta vs tors. theta energy: -53.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -557.222407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.222407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.222407 (E_RNA)
where:
Base-Base interactions energy: -371.680
where: short stacking energy: -166.562
Base-Backbone interact. energy: 1.240
local terms energy: -186.783061
where:
bonds (distance) C4'-P energy: -35.528
bonds (distance) P-C4' energy: -29.518
flat angles C4'-P-C4' energy: -41.146
flat angles P-C4'-P energy: -30.262
tors. eta vs tors. theta energy: -50.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -556.104886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.104886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.104886 (E_RNA)
where:
Base-Base interactions energy: -370.269
where: short stacking energy: -165.743
Base-Backbone interact. energy: -0.515
local terms energy: -185.320913
where:
bonds (distance) C4'-P energy: -37.480
bonds (distance) P-C4' energy: -31.136
flat angles C4'-P-C4' energy: -35.390
flat angles P-C4'-P energy: -28.115
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: 7, replica: 5
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -491.228126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.228126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.228126 (E_RNA)
where:
Base-Base interactions energy: -326.727
where: short stacking energy: -156.301
Base-Backbone interact. energy: -0.522
local terms energy: -163.978537
where:
bonds (distance) C4'-P energy: -17.915
bonds (distance) P-C4' energy: -38.906
flat angles C4'-P-C4' energy: -39.673
flat angles P-C4'-P energy: -25.109
tors. eta vs tors. theta energy: -42.376
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: 8, replica: 10
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -196.677985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.677985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.677985 (E_RNA)
where:
Base-Base interactions energy: -72.319
where: short stacking energy: -60.232
Base-Backbone interact. energy: -0.267
local terms energy: -124.091853
where:
bonds (distance) C4'-P energy: -31.234
bonds (distance) P-C4' energy: -41.480
flat angles C4'-P-C4' energy: -34.683
flat angles P-C4'-P energy: -18.697
tors. eta vs tors. theta energy: 2.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -187.027718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.027718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.027718 (E_RNA)
where:
Base-Base interactions energy: -61.788
where: short stacking energy: -57.943
Base-Backbone interact. energy: 1.508
local terms energy: -126.747783
where:
bonds (distance) C4'-P energy: -33.422
bonds (distance) P-C4' energy: -43.841
flat angles C4'-P-C4' energy: -27.721
flat angles P-C4'-P energy: -16.823
tors. eta vs tors. theta energy: -4.941
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: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -167.253310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.253310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.253310 (E_RNA)
where:
Base-Base interactions energy: -39.225
where: short stacking energy: -30.669
Base-Backbone interact. energy: -0.052
local terms energy: -127.976428
where:
bonds (distance) C4'-P energy: -37.095
bonds (distance) P-C4' energy: -36.853
flat angles C4'-P-C4' energy: -31.738
flat angles P-C4'-P energy: -24.818
tors. eta vs tors. theta energy: 2.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -683.636542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.636542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.636542 (E_RNA)
where:
Base-Base interactions energy: -459.795
where: short stacking energy: -207.779
Base-Backbone interact. energy: 0.208
local terms energy: -224.048800
where:
bonds (distance) C4'-P energy: -37.562
bonds (distance) P-C4' energy: -42.982
flat angles C4'-P-C4' energy: -45.542
flat angles P-C4'-P energy: -34.471
tors. eta vs tors. theta energy: -63.492
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: 3
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -670.482547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.482547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.482547 (E_RNA)
where:
Base-Base interactions energy: -459.439
where: short stacking energy: -202.199
Base-Backbone interact. energy: -0.306
local terms energy: -210.737633
where:
bonds (distance) C4'-P energy: -39.682
bonds (distance) P-C4' energy: -37.108
flat angles C4'-P-C4' energy: -37.628
flat angles P-C4'-P energy: -30.529
tors. eta vs tors. theta energy: -65.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -611.422775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.422775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.422775 (E_RNA)
where:
Base-Base interactions energy: -415.328
where: short stacking energy: -176.903
Base-Backbone interact. energy: -0.368
local terms energy: -195.726776
where:
bonds (distance) C4'-P energy: -35.298
bonds (distance) P-C4' energy: -31.072
flat angles C4'-P-C4' energy: -43.804
flat angles P-C4'-P energy: -33.215
tors. eta vs tors. theta energy: -52.339
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: 4
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -596.505701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.505701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.505701 (E_RNA)
where:
Base-Base interactions energy: -399.678
where: short stacking energy: -156.300
Base-Backbone interact. energy: -2.577
local terms energy: -194.250521
where:
bonds (distance) C4'-P energy: -39.550
bonds (distance) P-C4' energy: -42.857
flat angles C4'-P-C4' energy: -38.518
flat angles P-C4'-P energy: -21.168
tors. eta vs tors. theta energy: -52.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -572.147605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.147605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.147605 (E_RNA)
where:
Base-Base interactions energy: -356.230
where: short stacking energy: -172.911
Base-Backbone interact. energy: -0.716
local terms energy: -215.201467
where:
bonds (distance) C4'-P energy: -34.968
bonds (distance) P-C4' energy: -47.842
flat angles C4'-P-C4' energy: -50.310
flat angles P-C4'-P energy: -27.101
tors. eta vs tors. theta energy: -54.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -529.883622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.883622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.883622 (E_RNA)
where:
Base-Base interactions energy: -338.986
where: short stacking energy: -150.499
Base-Backbone interact. energy: -0.936
local terms energy: -189.962039
where:
bonds (distance) C4'-P energy: -37.019
bonds (distance) P-C4' energy: -42.280
flat angles C4'-P-C4' energy: -37.540
flat angles P-C4'-P energy: -28.721
tors. eta vs tors. theta energy: -44.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -474.081221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.081221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.081221 (E_RNA)
where:
Base-Base interactions energy: -296.763
where: short stacking energy: -121.722
Base-Backbone interact. energy: 0.011
local terms energy: -177.329476
where:
bonds (distance) C4'-P energy: -33.020
bonds (distance) P-C4' energy: -38.845
flat angles C4'-P-C4' energy: -41.192
flat angles P-C4'-P energy: -26.135
tors. eta vs tors. theta energy: -38.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -196.724639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.724639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.724639 (E_RNA)
where:
Base-Base interactions energy: -72.160
where: short stacking energy: -55.625
Base-Backbone interact. energy: -1.252
local terms energy: -123.311994
where:
bonds (distance) C4'-P energy: -37.779
bonds (distance) P-C4' energy: -34.045
flat angles C4'-P-C4' energy: -36.327
flat angles P-C4'-P energy: -17.515
tors. eta vs tors. theta energy: 2.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -166.840517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.840517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.840517 (E_RNA)
where:
Base-Base interactions energy: -54.025
where: short stacking energy: -44.639
Base-Backbone interact. energy: -0.638
local terms energy: -112.177338
where:
bonds (distance) C4'-P energy: -36.642
bonds (distance) P-C4' energy: -34.774
flat angles C4'-P-C4' energy: -29.477
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: 3.030
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: 430
Temperature: 1.350000
Total energy: -181.876833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.876833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.876833 (E_RNA)
where:
Base-Base interactions energy: -54.578
where: short stacking energy: -50.736
Base-Backbone interact. energy: -0.565
local terms energy: -126.733721
where:
bonds (distance) C4'-P energy: -28.532
bonds (distance) P-C4' energy: -44.183
flat angles C4'-P-C4' energy: -33.349
flat angles P-C4'-P energy: -20.180
tors. eta vs tors. theta energy: -0.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -685.448758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.448758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.448758 (E_RNA)
where:
Base-Base interactions energy: -465.701
where: short stacking energy: -202.256
Base-Backbone interact. energy: -0.885
local terms energy: -218.862715
where:
bonds (distance) C4'-P energy: -44.382
bonds (distance) P-C4' energy: -38.716
flat angles C4'-P-C4' energy: -46.997
flat angles P-C4'-P energy: -25.159
tors. eta vs tors. theta energy: -63.608
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: 2, replica: 3
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -673.987833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.987833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.987833 (E_RNA)
where:
Base-Base interactions energy: -450.681
where: short stacking energy: -177.333
Base-Backbone interact. energy: -1.619
local terms energy: -221.688210
where:
bonds (distance) C4'-P energy: -39.565
bonds (distance) P-C4' energy: -42.055
flat angles C4'-P-C4' energy: -44.885
flat angles P-C4'-P energy: -32.736
tors. eta vs tors. theta energy: -62.447
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: 3, replica: 9
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -612.978764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.978764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.978764 (E_RNA)
where:
Base-Base interactions energy: -401.899
where: short stacking energy: -160.944
Base-Backbone interact. energy: -0.545
local terms energy: -210.534679
where:
bonds (distance) C4'-P energy: -36.430
bonds (distance) P-C4' energy: -47.702
flat angles C4'-P-C4' energy: -43.020
flat angles P-C4'-P energy: -30.903
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: 4, replica: 4
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -604.924326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.924326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.924326 (E_RNA)
where:
Base-Base interactions energy: -411.790
where: short stacking energy: -174.267
Base-Backbone interact. energy: -0.541
local terms energy: -192.593234
where:
bonds (distance) C4'-P energy: -29.725
bonds (distance) P-C4' energy: -43.495
flat angles C4'-P-C4' energy: -40.667
flat angles P-C4'-P energy: -25.088
tors. eta vs tors. theta energy: -53.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -547.912374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.912374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.912374 (E_RNA)
where:
Base-Base interactions energy: -346.849
where: short stacking energy: -159.939
Base-Backbone interact. energy: -0.231
local terms energy: -200.832940
where:
bonds (distance) C4'-P energy: -45.068
bonds (distance) P-C4' energy: -45.223
flat angles C4'-P-C4' energy: -41.826
flat angles P-C4'-P energy: -22.769
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: 6, replica: 2
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -546.667768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.667768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.667768 (E_RNA)
where:
Base-Base interactions energy: -362.051
where: short stacking energy: -167.252
Base-Backbone interact. energy: -0.171
local terms energy: -184.444994
where:
bonds (distance) C4'-P energy: -31.311
bonds (distance) P-C4' energy: -37.058
flat angles C4'-P-C4' energy: -46.313
flat angles P-C4'-P energy: -24.649
tors. eta vs tors. theta energy: -45.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -503.732682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.732682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.732682 (E_RNA)
where:
Base-Base interactions energy: -334.358
where: short stacking energy: -130.893
Base-Backbone interact. energy: -0.552
local terms energy: -168.822198
where:
bonds (distance) C4'-P energy: -35.878
bonds (distance) P-C4' energy: -33.344
flat angles C4'-P-C4' energy: -39.248
flat angles P-C4'-P energy: -29.804
tors. eta vs tors. theta energy: -30.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -212.461535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.461535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.461535 (E_RNA)
where:
Base-Base interactions energy: -79.422
where: short stacking energy: -70.800
Base-Backbone interact. energy: 5.202
local terms energy: -138.242236
where:
bonds (distance) C4'-P energy: -29.641
bonds (distance) P-C4' energy: -42.617
flat angles C4'-P-C4' energy: -36.242
flat angles P-C4'-P energy: -19.691
tors. eta vs tors. theta energy: -10.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -178.334513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.334513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.334513 (E_RNA)
where:
Base-Base interactions energy: -71.414
where: short stacking energy: -52.233
Base-Backbone interact. energy: -0.594
local terms energy: -106.326263
where:
bonds (distance) C4'-P energy: -19.020
bonds (distance) P-C4' energy: -36.233
flat angles C4'-P-C4' energy: -36.396
flat angles P-C4'-P energy: -23.264
tors. eta vs tors. theta energy: 8.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -173.820207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.820207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.820207 (E_RNA)
where:
Base-Base interactions energy: -74.252
where: short stacking energy: -57.077
Base-Backbone interact. energy: -1.192
local terms energy: -98.376551
where:
bonds (distance) C4'-P energy: -34.242
bonds (distance) P-C4' energy: -31.009
flat angles C4'-P-C4' energy: -18.651
flat angles P-C4'-P energy: -21.804
tors. eta vs tors. theta energy: 7.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -688.041713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.041713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.041713 (E_RNA)
where:
Base-Base interactions energy: -479.323
where: short stacking energy: -199.363
Base-Backbone interact. energy: -0.361
local terms energy: -208.358098
where:
bonds (distance) C4'-P energy: -37.127
bonds (distance) P-C4' energy: -38.019
flat angles C4'-P-C4' energy: -47.017
flat angles P-C4'-P energy: -27.165
tors. eta vs tors. theta energy: -59.031
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: 1
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -681.022359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.022359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.022359 (E_RNA)
where:
Base-Base interactions energy: -467.401
where: short stacking energy: -212.177
Base-Backbone interact. energy: 2.340
local terms energy: -215.962063
where:
bonds (distance) C4'-P energy: -40.107
bonds (distance) P-C4' energy: -41.026
flat angles C4'-P-C4' energy: -41.057
flat angles P-C4'-P energy: -29.974
tors. eta vs tors. theta energy: -63.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -617.392007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.392007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.392007 (E_RNA)
where:
Base-Base interactions energy: -415.344
where: short stacking energy: -168.316
Base-Backbone interact. energy: -0.263
local terms energy: -201.785068
where:
bonds (distance) C4'-P energy: -36.674
bonds (distance) P-C4' energy: -37.250
flat angles C4'-P-C4' energy: -39.629
flat angles P-C4'-P energy: -32.011
tors. eta vs tors. theta energy: -56.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -593.765312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.765312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.765312 (E_RNA)
where:
Base-Base interactions energy: -384.487
where: short stacking energy: -170.386
Base-Backbone interact. energy: 1.039
local terms energy: -210.317688
where:
bonds (distance) C4'-P energy: -40.943
bonds (distance) P-C4' energy: -38.197
flat angles C4'-P-C4' energy: -44.697
flat angles P-C4'-P energy: -29.133
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: 5, replica: 2
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -541.892678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.892678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.892678 (E_RNA)
where:
Base-Base interactions energy: -366.631
where: short stacking energy: -178.332
Base-Backbone interact. energy: -0.374
local terms energy: -174.887976
where:
bonds (distance) C4'-P energy: -34.271
bonds (distance) P-C4' energy: -25.822
flat angles C4'-P-C4' energy: -41.341
flat angles P-C4'-P energy: -19.812
tors. eta vs tors. theta energy: -53.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -559.153124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.153124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.153124 (E_RNA)
where:
Base-Base interactions energy: -370.066
where: short stacking energy: -161.568
Base-Backbone interact. energy: -0.240
local terms energy: -188.846985
where:
bonds (distance) C4'-P energy: -35.985
bonds (distance) P-C4' energy: -41.506
flat angles C4'-P-C4' energy: -32.390
flat angles P-C4'-P energy: -34.631
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: 5
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -489.159787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.159787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.159787 (E_RNA)
where:
Base-Base interactions energy: -324.539
where: short stacking energy: -134.084
Base-Backbone interact. energy: 2.180
local terms energy: -166.800183
where:
bonds (distance) C4'-P energy: -39.218
bonds (distance) P-C4' energy: -34.705
flat angles C4'-P-C4' energy: -41.589
flat angles P-C4'-P energy: -21.395
tors. eta vs tors. theta energy: -29.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -206.696095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.696095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.696095 (E_RNA)
where:
Base-Base interactions energy: -84.833
where: short stacking energy: -64.995
Base-Backbone interact. energy: -0.719
local terms energy: -121.144193
where:
bonds (distance) C4'-P energy: -29.017
bonds (distance) P-C4' energy: -35.806
flat angles C4'-P-C4' energy: -34.141
flat angles P-C4'-P energy: -24.702
tors. eta vs tors. theta energy: 2.521
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: 432
Temperature: 1.300000
Total energy: -185.405266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.405266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.405266 (E_RNA)
where:
Base-Base interactions energy: -80.222
where: short stacking energy: -50.999
Base-Backbone interact. energy: 2.392
local terms energy: -107.575352
where:
bonds (distance) C4'-P energy: -26.634
bonds (distance) P-C4' energy: -39.445
flat angles C4'-P-C4' energy: -38.774
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: 6.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -188.387995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.387995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.387995 (E_RNA)
where:
Base-Base interactions energy: -74.573
where: short stacking energy: -55.824
Base-Backbone interact. energy: 0.165
local terms energy: -113.980234
where:
bonds (distance) C4'-P energy: -37.550
bonds (distance) P-C4' energy: -35.661
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -25.308
tors. eta vs tors. theta energy: 1.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -694.793067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.793067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.793067 (E_RNA)
where:
Base-Base interactions energy: -473.553
where: short stacking energy: -190.260
Base-Backbone interact. energy: -0.234
local terms energy: -221.006350
where:
bonds (distance) C4'-P energy: -39.078
bonds (distance) P-C4' energy: -39.957
flat angles C4'-P-C4' energy: -49.683
flat angles P-C4'-P energy: -30.105
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: 2, replica: 1
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -659.529048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.529048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.529048 (E_RNA)
where:
Base-Base interactions energy: -440.190
where: short stacking energy: -192.996
Base-Backbone interact. energy: -0.622
local terms energy: -218.716756
where:
bonds (distance) C4'-P energy: -35.304
bonds (distance) P-C4' energy: -42.574
flat angles C4'-P-C4' energy: -44.510
flat angles P-C4'-P energy: -34.864
tors. eta vs tors. theta energy: -61.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -611.841535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.841535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.841535 (E_RNA)
where:
Base-Base interactions energy: -412.890
where: short stacking energy: -179.846
Base-Backbone interact. energy: -0.113
local terms energy: -198.837735
where:
bonds (distance) C4'-P energy: -37.588
bonds (distance) P-C4' energy: -37.275
flat angles C4'-P-C4' energy: -43.715
flat angles P-C4'-P energy: -19.863
tors. eta vs tors. theta energy: -60.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -569.333540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.333540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.333540 (E_RNA)
where:
Base-Base interactions energy: -375.194
where: short stacking energy: -179.837
Base-Backbone interact. energy: -0.588
local terms energy: -193.551784
where:
bonds (distance) C4'-P energy: -32.109
bonds (distance) P-C4' energy: -34.413
flat angles C4'-P-C4' energy: -45.769
flat angles P-C4'-P energy: -31.083
tors. eta vs tors. theta energy: -50.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -590.773207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.773207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.773207 (E_RNA)
where:
Base-Base interactions energy: -397.520
where: short stacking energy: -167.506
Base-Backbone interact. energy: 0.349
local terms energy: -193.602227
where:
bonds (distance) C4'-P energy: -36.230
bonds (distance) P-C4' energy: -36.957
flat angles C4'-P-C4' energy: -42.557
flat angles P-C4'-P energy: -21.650
tors. eta vs tors. theta energy: -56.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -547.522703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.522703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.522703 (E_RNA)
where:
Base-Base interactions energy: -363.175
where: short stacking energy: -172.416
Base-Backbone interact. energy: -0.122
local terms energy: -184.226035
where:
bonds (distance) C4'-P energy: -34.787
bonds (distance) P-C4' energy: -31.229
flat angles C4'-P-C4' energy: -43.494
flat angles P-C4'-P energy: -26.536
tors. eta vs tors. theta energy: -48.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -457.179633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.179633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.179633 (E_RNA)
where:
Base-Base interactions energy: -300.636
where: short stacking energy: -135.578
Base-Backbone interact. energy: -0.391
local terms energy: -156.152748
where:
bonds (distance) C4'-P energy: -29.237
bonds (distance) P-C4' energy: -34.641
flat angles C4'-P-C4' energy: -32.036
flat angles P-C4'-P energy: -31.731
tors. eta vs tors. theta energy: -28.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -203.669917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.669917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.669917 (E_RNA)
where:
Base-Base interactions energy: -71.933
where: short stacking energy: -70.653
Base-Backbone interact. energy: 2.128
local terms energy: -133.864673
where:
bonds (distance) C4'-P energy: -35.087
bonds (distance) P-C4' energy: -35.955
flat angles C4'-P-C4' energy: -23.483
flat angles P-C4'-P energy: -24.765
tors. eta vs tors. theta energy: -14.575
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: 9, replica: 8
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -183.766427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.766427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.766427 (E_RNA)
where:
Base-Base interactions energy: -68.967
where: short stacking energy: -52.919
Base-Backbone interact. energy: -0.455
local terms energy: -114.344581
where:
bonds (distance) C4'-P energy: -27.226
bonds (distance) P-C4' energy: -38.951
flat angles C4'-P-C4' energy: -33.883
flat angles P-C4'-P energy: -18.071
tors. eta vs tors. theta energy: 3.786
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: 10
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -179.226582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.226582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.226582 (E_RNA)
where:
Base-Base interactions energy: -53.860
where: short stacking energy: -44.633
Base-Backbone interact. energy: -0.288
local terms energy: -125.078700
where:
bonds (distance) C4'-P energy: -38.339
bonds (distance) P-C4' energy: -33.696
flat angles C4'-P-C4' energy: -32.831
flat angles P-C4'-P energy: -17.468
tors. eta vs tors. theta energy: -2.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -688.184528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.184528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.184528 (E_RNA)
where:
Base-Base interactions energy: -469.476
where: short stacking energy: -189.264
Base-Backbone interact. energy: -0.961
local terms energy: -217.747483
where:
bonds (distance) C4'-P energy: -39.983
bonds (distance) P-C4' energy: -38.933
flat angles C4'-P-C4' energy: -43.605
flat angles P-C4'-P energy: -31.330
tors. eta vs tors. theta energy: -63.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -652.282635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.282635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.282635 (E_RNA)
where:
Base-Base interactions energy: -438.321
where: short stacking energy: -201.425
Base-Backbone interact. energy: -2.622
local terms energy: -211.340074
where:
bonds (distance) C4'-P energy: -40.515
bonds (distance) P-C4' energy: -41.167
flat angles C4'-P-C4' energy: -45.357
flat angles P-C4'-P energy: -25.870
tors. eta vs tors. theta energy: -58.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -601.771817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.771817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.771817 (E_RNA)
where:
Base-Base interactions energy: -418.086
where: short stacking energy: -154.885
Base-Backbone interact. energy: -1.643
local terms energy: -182.042891
where:
bonds (distance) C4'-P energy: -37.629
bonds (distance) P-C4' energy: -27.702
flat angles C4'-P-C4' energy: -39.039
flat angles P-C4'-P energy: -28.350
tors. eta vs tors. theta energy: -49.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -580.084397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.084397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.084397 (E_RNA)
where:
Base-Base interactions energy: -378.817
where: short stacking energy: -180.960
Base-Backbone interact. energy: 0.524
local terms energy: -201.791810
where:
bonds (distance) C4'-P energy: -41.357
bonds (distance) P-C4' energy: -37.075
flat angles C4'-P-C4' energy: -43.332
flat angles P-C4'-P energy: -24.681
tors. eta vs tors. theta energy: -55.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -575.443214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.443214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.443214 (E_RNA)
where:
Base-Base interactions energy: -371.522
where: short stacking energy: -155.830
Base-Backbone interact. energy: -0.660
local terms energy: -203.261522
where:
bonds (distance) C4'-P energy: -32.396
bonds (distance) P-C4' energy: -44.372
flat angles C4'-P-C4' energy: -38.959
flat angles P-C4'-P energy: -31.730
tors. eta vs tors. theta energy: -55.806
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: 6, replica: 7
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -547.946737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.946737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.946737 (E_RNA)
where:
Base-Base interactions energy: -363.803
where: short stacking energy: -167.069
Base-Backbone interact. energy: -0.854
local terms energy: -183.289031
where:
bonds (distance) C4'-P energy: -33.372
bonds (distance) P-C4' energy: -36.888
flat angles C4'-P-C4' energy: -44.618
flat angles P-C4'-P energy: -24.117
tors. eta vs tors. theta energy: -44.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -472.933008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.933008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.933008 (E_RNA)
where:
Base-Base interactions energy: -302.683
where: short stacking energy: -126.591
Base-Backbone interact. energy: -0.298
local terms energy: -169.952193
where:
bonds (distance) C4'-P energy: -29.550
bonds (distance) P-C4' energy: -42.466
flat angles C4'-P-C4' energy: -36.001
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -45.895
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: 6
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -208.239736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.239736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.239736 (E_RNA)
where:
Base-Base interactions energy: -65.189
where: short stacking energy: -48.600
Base-Backbone interact. energy: -0.056
local terms energy: -142.993958
where:
bonds (distance) C4'-P energy: -36.732
bonds (distance) P-C4' energy: -33.288
flat angles C4'-P-C4' energy: -40.156
flat angles P-C4'-P energy: -25.876
tors. eta vs tors. theta energy: -6.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -184.478213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.478213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.478213 (E_RNA)
where:
Base-Base interactions energy: -68.724
where: short stacking energy: -64.095
Base-Backbone interact. energy: 0.144
local terms energy: -115.897879
where:
bonds (distance) C4'-P energy: -33.638
bonds (distance) P-C4' energy: -40.425
flat angles C4'-P-C4' energy: -27.184
flat angles P-C4'-P energy: -16.534
tors. eta vs tors. theta energy: 1.885
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: 434
Temperature: 1.350000
Total energy: -175.539197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.539197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.539197 (E_RNA)
where:
Base-Base interactions energy: -63.772
where: short stacking energy: -46.819
Base-Backbone interact. energy: -0.262
local terms energy: -111.505734
where:
bonds (distance) C4'-P energy: -28.377
bonds (distance) P-C4' energy: -31.415
flat angles C4'-P-C4' energy: -29.875
flat angles P-C4'-P energy: -19.637
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: 3
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -686.295710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.295710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.295710 (E_RNA)
where:
Base-Base interactions energy: -476.307
where: short stacking energy: -201.603
Base-Backbone interact. energy: -0.504
local terms energy: -209.484867
where:
bonds (distance) C4'-P energy: -39.333
bonds (distance) P-C4' energy: -35.297
flat angles C4'-P-C4' energy: -37.462
flat angles P-C4'-P energy: -31.769
tors. eta vs tors. theta energy: -65.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -680.745947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.745947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.745947 (E_RNA)
where:
Base-Base interactions energy: -478.340
where: short stacking energy: -205.235
Base-Backbone interact. energy: -0.947
local terms energy: -201.458407
where:
bonds (distance) C4'-P energy: -34.059
bonds (distance) P-C4' energy: -41.886
flat angles C4'-P-C4' energy: -40.421
flat angles P-C4'-P energy: -31.490
tors. eta vs tors. theta energy: -53.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -604.498397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.498397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.498397 (E_RNA)
where:
Base-Base interactions energy: -409.651
where: short stacking energy: -168.759
Base-Backbone interact. energy: -0.133
local terms energy: -194.714878
where:
bonds (distance) C4'-P energy: -41.220
bonds (distance) P-C4' energy: -36.359
flat angles C4'-P-C4' energy: -43.122
flat angles P-C4'-P energy: -25.296
tors. eta vs tors. theta energy: -48.718
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: 4
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -600.293096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.293096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.293096 (E_RNA)
where:
Base-Base interactions energy: -403.917
where: short stacking energy: -177.318
Base-Backbone interact. energy: 4.280
local terms energy: -200.656405
where:
bonds (distance) C4'-P energy: -34.159
bonds (distance) P-C4' energy: -38.233
flat angles C4'-P-C4' energy: -45.228
flat angles P-C4'-P energy: -26.453
tors. eta vs tors. theta energy: -56.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -568.184693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.184693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.184693 (E_RNA)
where:
Base-Base interactions energy: -373.224
where: short stacking energy: -176.019
Base-Backbone interact. energy: -1.089
local terms energy: -193.870771
where:
bonds (distance) C4'-P energy: -39.818
bonds (distance) P-C4' energy: -38.972
flat angles C4'-P-C4' energy: -42.595
flat angles P-C4'-P energy: -21.598
tors. eta vs tors. theta energy: -50.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -530.828243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.828243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.828243 (E_RNA)
where:
Base-Base interactions energy: -342.898
where: short stacking energy: -162.105
Base-Backbone interact. energy: 1.531
local terms energy: -189.461606
where:
bonds (distance) C4'-P energy: -39.803
bonds (distance) P-C4' energy: -37.598
flat angles C4'-P-C4' energy: -31.231
flat angles P-C4'-P energy: -32.798
tors. eta vs tors. theta energy: -48.032
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: 5
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -481.403966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.403966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.403966 (E_RNA)
where:
Base-Base interactions energy: -331.022
where: short stacking energy: -130.796
Base-Backbone interact. energy: -0.406
local terms energy: -149.975887
where:
bonds (distance) C4'-P energy: -26.992
bonds (distance) P-C4' energy: -30.906
flat angles C4'-P-C4' energy: -32.934
flat angles P-C4'-P energy: -19.253
tors. eta vs tors. theta energy: -39.890
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: 6
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -198.659279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.659279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.659279 (E_RNA)
where:
Base-Base interactions energy: -76.081
where: short stacking energy: -73.582
Base-Backbone interact. energy: -0.446
local terms energy: -122.132416
where:
bonds (distance) C4'-P energy: -26.670
bonds (distance) P-C4' energy: -32.928
flat angles C4'-P-C4' energy: -38.416
flat angles P-C4'-P energy: -19.486
tors. eta vs tors. theta energy: -4.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -171.660137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.660137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.660137 (E_RNA)
where:
Base-Base interactions energy: -58.924
where: short stacking energy: -55.814
Base-Backbone interact. energy: 1.592
local terms energy: -114.328340
where:
bonds (distance) C4'-P energy: -29.270
bonds (distance) P-C4' energy: -34.459
flat angles C4'-P-C4' energy: -31.465
flat angles P-C4'-P energy: -24.169
tors. eta vs tors. theta energy: 5.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -174.822795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.822795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.822795 (E_RNA)
where:
Base-Base interactions energy: -68.542
where: short stacking energy: -59.841
Base-Backbone interact. energy: -0.665
local terms energy: -105.615803
where:
bonds (distance) C4'-P energy: -27.754
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -36.083
flat angles P-C4'-P energy: -19.172
tors. eta vs tors. theta energy: -3.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -702.121981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.121981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.121981 (E_RNA)
where:
Base-Base interactions energy: -482.632
where: short stacking energy: -197.088
Base-Backbone interact. energy: -1.366
local terms energy: -218.123306
where:
bonds (distance) C4'-P energy: -43.400
bonds (distance) P-C4' energy: -37.729
flat angles C4'-P-C4' energy: -44.106
flat angles P-C4'-P energy: -32.165
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: 2, replica: 1
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -673.787036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.787036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.787036 (E_RNA)
where:
Base-Base interactions energy: -453.415
where: short stacking energy: -198.342
Base-Backbone interact. energy: -0.895
local terms energy: -219.476878
where:
bonds (distance) C4'-P energy: -41.490
bonds (distance) P-C4' energy: -40.666
flat angles C4'-P-C4' energy: -46.984
flat angles P-C4'-P energy: -31.253
tors. eta vs tors. theta energy: -59.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -608.064374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.064374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.064374 (E_RNA)
where:
Base-Base interactions energy: -398.178
where: short stacking energy: -170.004
Base-Backbone interact. energy: 0.830
local terms energy: -210.716829
where:
bonds (distance) C4'-P energy: -39.700
bonds (distance) P-C4' energy: -41.439
flat angles C4'-P-C4' energy: -43.178
flat angles P-C4'-P energy: -35.911
tors. eta vs tors. theta energy: -50.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -587.082823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.082823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.082823 (E_RNA)
where:
Base-Base interactions energy: -395.192
where: short stacking energy: -165.559
Base-Backbone interact. energy: 1.154
local terms energy: -193.044103
where:
bonds (distance) C4'-P energy: -32.287
bonds (distance) P-C4' energy: -39.999
flat angles C4'-P-C4' energy: -40.141
flat angles P-C4'-P energy: -30.284
tors. eta vs tors. theta energy: -50.333
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: 2
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -562.284756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.284756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.284756 (E_RNA)
where:
Base-Base interactions energy: -378.817
where: short stacking energy: -172.220
Base-Backbone interact. energy: 2.315
local terms energy: -185.783022
where:
bonds (distance) C4'-P energy: -41.237
bonds (distance) P-C4' energy: -30.445
flat angles C4'-P-C4' energy: -41.445
flat angles P-C4'-P energy: -21.949
tors. eta vs tors. theta energy: -50.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -524.237577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.237577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.237577 (E_RNA)
where:
Base-Base interactions energy: -351.127
where: short stacking energy: -163.585
Base-Backbone interact. energy: -0.320
local terms energy: -172.790458
where:
bonds (distance) C4'-P energy: -30.405
bonds (distance) P-C4' energy: -37.852
flat angles C4'-P-C4' energy: -31.107
flat angles P-C4'-P energy: -28.081
tors. eta vs tors. theta energy: -45.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -469.647598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.647598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.647598 (E_RNA)
where:
Base-Base interactions energy: -305.755
where: short stacking energy: -133.320
Base-Backbone interact. energy: -0.301
local terms energy: -163.591309
where:
bonds (distance) C4'-P energy: -39.416
bonds (distance) P-C4' energy: -31.143
flat angles C4'-P-C4' energy: -34.712
flat angles P-C4'-P energy: -19.947
tors. eta vs tors. theta energy: -38.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -189.068719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.068719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.068719 (E_RNA)
where:
Base-Base interactions energy: -66.927
where: short stacking energy: -53.572
Base-Backbone interact. energy: 0.805
local terms energy: -122.946744
where:
bonds (distance) C4'-P energy: -28.349
bonds (distance) P-C4' energy: -37.545
flat angles C4'-P-C4' energy: -37.873
flat angles P-C4'-P energy: -19.533
tors. eta vs tors. theta energy: 0.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -187.624344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.624344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.624344 (E_RNA)
where:
Base-Base interactions energy: -58.850
where: short stacking energy: -54.580
Base-Backbone interact. energy: -1.362
local terms energy: -127.412487
where:
bonds (distance) C4'-P energy: -32.977
bonds (distance) P-C4' energy: -32.886
flat angles C4'-P-C4' energy: -32.755
flat angles P-C4'-P energy: -26.680
tors. eta vs tors. theta energy: -2.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -186.739791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.739791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.739791 (E_RNA)
where:
Base-Base interactions energy: -75.394
where: short stacking energy: -61.067
Base-Backbone interact. energy: 0.335
local terms energy: -111.680134
where:
bonds (distance) C4'-P energy: -30.624
bonds (distance) P-C4' energy: -33.995
flat angles C4'-P-C4' energy: -36.254
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -2.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -686.321885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.321885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.321885 (E_RNA)
where:
Base-Base interactions energy: -464.248
where: short stacking energy: -199.934
Base-Backbone interact. energy: -1.643
local terms energy: -220.431037
where:
bonds (distance) C4'-P energy: -43.141
bonds (distance) P-C4' energy: -40.847
flat angles C4'-P-C4' energy: -43.637
flat angles P-C4'-P energy: -29.883
tors. eta vs tors. theta energy: -62.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -666.310612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.310612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.310612 (E_RNA)
where:
Base-Base interactions energy: -463.129
where: short stacking energy: -200.686
Base-Backbone interact. energy: 1.872
local terms energy: -205.054014
where:
bonds (distance) C4'-P energy: -34.503
bonds (distance) P-C4' energy: -39.849
flat angles C4'-P-C4' energy: -40.384
flat angles P-C4'-P energy: -30.892
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: 3, replica: 4
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -605.570431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.570431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.570431 (E_RNA)
where:
Base-Base interactions energy: -410.789
where: short stacking energy: -170.769
Base-Backbone interact. energy: -0.129
local terms energy: -194.652557
where:
bonds (distance) C4'-P energy: -33.606
bonds (distance) P-C4' energy: -42.412
flat angles C4'-P-C4' energy: -41.582
flat angles P-C4'-P energy: -26.416
tors. eta vs tors. theta energy: -50.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -586.266622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.266622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.266622 (E_RNA)
where:
Base-Base interactions energy: -392.572
where: short stacking energy: -162.279
Base-Backbone interact. energy: -0.190
local terms energy: -193.505160
where:
bonds (distance) C4'-P energy: -39.533
bonds (distance) P-C4' energy: -35.640
flat angles C4'-P-C4' energy: -37.781
flat angles P-C4'-P energy: -29.419
tors. eta vs tors. theta energy: -51.132
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: 5, replica: 2
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -581.952410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.952410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.952410 (E_RNA)
where:
Base-Base interactions energy: -390.099
where: short stacking energy: -167.661
Base-Backbone interact. energy: -0.211
local terms energy: -191.642447
where:
bonds (distance) C4'-P energy: -40.245
bonds (distance) P-C4' energy: -34.449
flat angles C4'-P-C4' energy: -33.167
flat angles P-C4'-P energy: -32.138
tors. eta vs tors. theta energy: -51.644
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: 7
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -549.566517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.566517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.566517 (E_RNA)
where:
Base-Base interactions energy: -379.042
where: short stacking energy: -178.343
Base-Backbone interact. energy: -0.212
local terms energy: -170.312447
where:
bonds (distance) C4'-P energy: -19.624
bonds (distance) P-C4' energy: -27.380
flat angles C4'-P-C4' energy: -43.146
flat angles P-C4'-P energy: -25.282
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: 7, replica: 5
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -492.455293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.455293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.455293 (E_RNA)
where:
Base-Base interactions energy: -320.453
where: short stacking energy: -135.005
Base-Backbone interact. energy: -0.784
local terms energy: -171.218091
where:
bonds (distance) C4'-P energy: -38.537
bonds (distance) P-C4' energy: -40.661
flat angles C4'-P-C4' energy: -31.815
flat angles P-C4'-P energy: -24.937
tors. eta vs tors. theta energy: -35.267
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: 8
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -186.745557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.745557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.745557 (E_RNA)
where:
Base-Base interactions energy: -77.816
where: short stacking energy: -66.045
Base-Backbone interact. energy: 0.250
local terms energy: -109.179117
where:
bonds (distance) C4'-P energy: -36.552
bonds (distance) P-C4' energy: -37.407
flat angles C4'-P-C4' energy: -19.436
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -5.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -201.125975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.125975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.125975 (E_RNA)
where:
Base-Base interactions energy: -67.708
where: short stacking energy: -40.581
Base-Backbone interact. energy: -0.033
local terms energy: -133.385293
where:
bonds (distance) C4'-P energy: -31.974
bonds (distance) P-C4' energy: -39.645
flat angles C4'-P-C4' energy: -32.863
flat angles P-C4'-P energy: -24.926
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: 10, replica: 10
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -183.122294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.122294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.122294 (E_RNA)
where:
Base-Base interactions energy: -67.250
where: short stacking energy: -44.254
Base-Backbone interact. energy: -0.740
local terms energy: -115.131747
where:
bonds (distance) C4'-P energy: -36.785
bonds (distance) P-C4' energy: -30.270
flat angles C4'-P-C4' energy: -24.330
flat angles P-C4'-P energy: -21.285
tors. eta vs tors. theta energy: -2.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -693.563011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.563011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.563011 (E_RNA)
where:
Base-Base interactions energy: -475.435
where: short stacking energy: -190.394
Base-Backbone interact. energy: -0.963
local terms energy: -217.164938
where:
bonds (distance) C4'-P energy: -40.161
bonds (distance) P-C4' energy: -41.443
flat angles C4'-P-C4' energy: -42.593
flat angles P-C4'-P energy: -31.009
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: 1
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -660.152642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.152642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.152642 (E_RNA)
where:
Base-Base interactions energy: -458.104
where: short stacking energy: -202.148
Base-Backbone interact. energy: -0.755
local terms energy: -201.293136
where:
bonds (distance) C4'-P energy: -30.437
bonds (distance) P-C4' energy: -38.422
flat angles C4'-P-C4' energy: -42.853
flat angles P-C4'-P energy: -33.283
tors. eta vs tors. theta energy: -56.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -613.617619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.617619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.617619 (E_RNA)
where:
Base-Base interactions energy: -406.872
where: short stacking energy: -184.192
Base-Backbone interact. energy: -0.264
local terms energy: -206.481577
where:
bonds (distance) C4'-P energy: -40.128
bonds (distance) P-C4' energy: -30.246
flat angles C4'-P-C4' energy: -44.456
flat angles P-C4'-P energy: -28.599
tors. eta vs tors. theta energy: -63.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -585.686778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.686778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.686778 (E_RNA)
where:
Base-Base interactions energy: -387.531
where: short stacking energy: -167.757
Base-Backbone interact. energy: -0.152
local terms energy: -198.004448
where:
bonds (distance) C4'-P energy: -28.466
bonds (distance) P-C4' energy: -35.449
flat angles C4'-P-C4' energy: -43.577
flat angles P-C4'-P energy: -30.366
tors. eta vs tors. theta energy: -60.146
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: 7
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -593.056735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.056735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.056735 (E_RNA)
where:
Base-Base interactions energy: -395.837
where: short stacking energy: -174.297
Base-Backbone interact. energy: 0.733
local terms energy: -197.952366
where:
bonds (distance) C4'-P energy: -38.745
bonds (distance) P-C4' energy: -40.360
flat angles C4'-P-C4' energy: -35.625
flat angles P-C4'-P energy: -25.543
tors. eta vs tors. theta energy: -57.678
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: 6, replica: 2
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -549.933768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.933768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.933768 (E_RNA)
where:
Base-Base interactions energy: -368.067
where: short stacking energy: -154.350
Base-Backbone interact. energy: -0.363
local terms energy: -181.503665
where:
bonds (distance) C4'-P energy: -40.360
bonds (distance) P-C4' energy: -32.390
flat angles C4'-P-C4' energy: -37.094
flat angles P-C4'-P energy: -22.843
tors. eta vs tors. theta energy: -48.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -501.850098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.850098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.850098 (E_RNA)
where:
Base-Base interactions energy: -324.188
where: short stacking energy: -137.727
Base-Backbone interact. energy: -0.160
local terms energy: -177.502541
where:
bonds (distance) C4'-P energy: -31.953
bonds (distance) P-C4' energy: -37.411
flat angles C4'-P-C4' energy: -36.233
flat angles P-C4'-P energy: -23.065
tors. eta vs tors. theta energy: -48.841
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: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -207.771835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.771835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.771835 (E_RNA)
where:
Base-Base interactions energy: -73.511
where: short stacking energy: -72.319
Base-Backbone interact. energy: -1.163
local terms energy: -133.097328
where:
bonds (distance) C4'-P energy: -27.856
bonds (distance) P-C4' energy: -36.439
flat angles C4'-P-C4' energy: -32.765
flat angles P-C4'-P energy: -30.202
tors. eta vs tors. theta energy: -5.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -190.385198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.385198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.385198 (E_RNA)
where:
Base-Base interactions energy: -66.963
where: short stacking energy: -46.564
Base-Backbone interact. energy: -1.201
local terms energy: -122.221065
where:
bonds (distance) C4'-P energy: -29.091
bonds (distance) P-C4' energy: -40.159
flat angles C4'-P-C4' energy: -39.765
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -1.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -183.285470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.285470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.285470 (E_RNA)
where:
Base-Base interactions energy: -68.173
where: short stacking energy: -58.247
Base-Backbone interact. energy: 2.204
local terms energy: -117.316292
where:
bonds (distance) C4'-P energy: -28.542
bonds (distance) P-C4' energy: -33.459
flat angles C4'-P-C4' energy: -30.154
flat angles P-C4'-P energy: -17.825
tors. eta vs tors. theta energy: -7.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -684.058239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.058239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.058239 (E_RNA)
where:
Base-Base interactions energy: -475.727
where: short stacking energy: -191.316
Base-Backbone interact. energy: -0.514
local terms energy: -207.817598
where:
bonds (distance) C4'-P energy: -32.693
bonds (distance) P-C4' energy: -41.933
flat angles C4'-P-C4' energy: -45.291
flat angles P-C4'-P energy: -26.177
tors. eta vs tors. theta energy: -61.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -673.368574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.368574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.368574 (E_RNA)
where:
Base-Base interactions energy: -465.210
where: short stacking energy: -198.964
Base-Backbone interact. energy: 4.776
local terms energy: -212.934719
where:
bonds (distance) C4'-P energy: -36.911
bonds (distance) P-C4' energy: -41.169
flat angles C4'-P-C4' energy: -46.333
flat angles P-C4'-P energy: -32.019
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: 4
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -622.724974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.724974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.724974 (E_RNA)
where:
Base-Base interactions energy: -416.906
where: short stacking energy: -184.248
Base-Backbone interact. energy: -0.498
local terms energy: -205.320643
where:
bonds (distance) C4'-P energy: -37.181
bonds (distance) P-C4' energy: -39.883
flat angles C4'-P-C4' energy: -41.648
flat angles P-C4'-P energy: -29.819
tors. eta vs tors. theta energy: -56.790
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: 9
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -588.498811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.498811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.498811 (E_RNA)
where:
Base-Base interactions energy: -398.548
where: short stacking energy: -179.890
Base-Backbone interact. energy: -0.152
local terms energy: -189.798202
where:
bonds (distance) C4'-P energy: -43.323
bonds (distance) P-C4' energy: -36.120
flat angles C4'-P-C4' energy: -37.832
flat angles P-C4'-P energy: -22.942
tors. eta vs tors. theta energy: -49.581
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: 7
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -588.809798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.809798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.809798 (E_RNA)
where:
Base-Base interactions energy: -390.663
where: short stacking energy: -173.917
Base-Backbone interact. energy: -1.055
local terms energy: -197.091385
where:
bonds (distance) C4'-P energy: -37.373
bonds (distance) P-C4' energy: -43.037
flat angles C4'-P-C4' energy: -41.169
flat angles P-C4'-P energy: -23.968
tors. eta vs tors. theta energy: -51.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -496.739493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.739493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.739493 (E_RNA)
where:
Base-Base interactions energy: -335.761
where: short stacking energy: -130.611
Base-Backbone interact. energy: -0.451
local terms energy: -160.527072
where:
bonds (distance) C4'-P energy: -31.108
bonds (distance) P-C4' energy: -36.434
flat angles C4'-P-C4' energy: -34.555
flat angles P-C4'-P energy: -18.817
tors. eta vs tors. theta energy: -39.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -513.444982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.444982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.444982 (E_RNA)
where:
Base-Base interactions energy: -336.879
where: short stacking energy: -164.597
Base-Backbone interact. energy: -0.651
local terms energy: -175.915078
where:
bonds (distance) C4'-P energy: -31.302
bonds (distance) P-C4' energy: -38.628
flat angles C4'-P-C4' energy: -39.062
flat angles P-C4'-P energy: -19.877
tors. eta vs tors. theta energy: -47.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -189.844037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.844037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.844037 (E_RNA)
where:
Base-Base interactions energy: -60.672
where: short stacking energy: -43.821
Base-Backbone interact. energy: -1.195
local terms energy: -127.976852
where:
bonds (distance) C4'-P energy: -42.656
bonds (distance) P-C4' energy: -41.722
flat angles C4'-P-C4' energy: -25.182
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -6.507
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: 10
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -180.263365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.263365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.263365 (E_RNA)
where:
Base-Base interactions energy: -60.294
where: short stacking energy: -59.003
Base-Backbone interact. energy: -0.469
local terms energy: -119.499828
where:
bonds (distance) C4'-P energy: -32.971
bonds (distance) P-C4' energy: -34.844
flat angles C4'-P-C4' energy: -23.744
flat angles P-C4'-P energy: -20.851
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: 10, replica: 6
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -176.302352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.302352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.302352 (E_RNA)
where:
Base-Base interactions energy: -68.057
where: short stacking energy: -44.594
Base-Backbone interact. energy: -0.080
local terms energy: -108.165633
where:
bonds (distance) C4'-P energy: -36.999
bonds (distance) P-C4' energy: -31.587
flat angles C4'-P-C4' energy: -29.394
flat angles P-C4'-P energy: -17.581
tors. eta vs tors. theta energy: 7.395
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: 1
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -688.270110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.270110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.270110 (E_RNA)
where:
Base-Base interactions energy: -463.779
where: short stacking energy: -204.068
Base-Backbone interact. energy: -0.728
local terms energy: -223.762567
where:
bonds (distance) C4'-P energy: -38.682
bonds (distance) P-C4' energy: -42.266
flat angles C4'-P-C4' energy: -47.967
flat angles P-C4'-P energy: -31.431
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: 2, replica: 3
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -674.350595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.350595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.350595 (E_RNA)
where:
Base-Base interactions energy: -465.808
where: short stacking energy: -192.989
Base-Backbone interact. energy: -0.704
local terms energy: -207.838201
where:
bonds (distance) C4'-P energy: -34.918
bonds (distance) P-C4' energy: -33.879
flat angles C4'-P-C4' energy: -44.301
flat angles P-C4'-P energy: -30.482
tors. eta vs tors. theta energy: -64.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -602.995731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.995731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.995731 (E_RNA)
where:
Base-Base interactions energy: -403.887
where: short stacking energy: -178.734
Base-Backbone interact. energy: 0.149
local terms energy: -199.257239
where:
bonds (distance) C4'-P energy: -38.729
bonds (distance) P-C4' energy: -36.349
flat angles C4'-P-C4' energy: -37.472
flat angles P-C4'-P energy: -30.192
tors. eta vs tors. theta energy: -56.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -602.985391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.985391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.985391 (E_RNA)
where:
Base-Base interactions energy: -404.241
where: short stacking energy: -180.552
Base-Backbone interact. energy: -0.261
local terms energy: -198.483309
where:
bonds (distance) C4'-P energy: -35.939
bonds (distance) P-C4' energy: -35.568
flat angles C4'-P-C4' energy: -39.094
flat angles P-C4'-P energy: -27.915
tors. eta vs tors. theta energy: -59.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -567.203065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.203065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.203065 (E_RNA)
where:
Base-Base interactions energy: -381.326
where: short stacking energy: -170.967
Base-Backbone interact. energy: -0.580
local terms energy: -185.297172
where:
bonds (distance) C4'-P energy: -34.836
bonds (distance) P-C4' energy: -36.630
flat angles C4'-P-C4' energy: -32.465
flat angles P-C4'-P energy: -26.109
tors. eta vs tors. theta energy: -55.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -494.642691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.642691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.642691 (E_RNA)
where:
Base-Base interactions energy: -334.956
where: short stacking energy: -138.205
Base-Backbone interact. energy: 1.778
local terms energy: -161.465364
where:
bonds (distance) C4'-P energy: -33.834
bonds (distance) P-C4' energy: -35.732
flat angles C4'-P-C4' energy: -38.397
flat angles P-C4'-P energy: -23.540
tors. eta vs tors. theta energy: -29.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -505.577167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.577167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.577167 (E_RNA)
where:
Base-Base interactions energy: -342.316
where: short stacking energy: -166.475
Base-Backbone interact. energy: 0.018
local terms energy: -163.278518
where:
bonds (distance) C4'-P energy: -24.297
bonds (distance) P-C4' energy: -35.167
flat angles C4'-P-C4' energy: -37.362
flat angles P-C4'-P energy: -23.873
tors. eta vs tors. theta energy: -42.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -205.039691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.039691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.039691 (E_RNA)
where:
Base-Base interactions energy: -77.638
where: short stacking energy: -74.574
Base-Backbone interact. energy: -1.029
local terms energy: -126.372268
where:
bonds (distance) C4'-P energy: -31.263
bonds (distance) P-C4' energy: -25.334
flat angles C4'-P-C4' energy: -30.710
flat angles P-C4'-P energy: -23.837
tors. eta vs tors. theta energy: -15.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -174.072516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.072516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.072516 (E_RNA)
where:
Base-Base interactions energy: -61.096
where: short stacking energy: -35.622
Base-Backbone interact. energy: -0.586
local terms energy: -112.390523
where:
bonds (distance) C4'-P energy: -39.891
bonds (distance) P-C4' energy: -39.722
flat angles C4'-P-C4' energy: -27.696
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: 9.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -174.304827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.304827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.304827 (E_RNA)
where:
Base-Base interactions energy: -69.833
where: short stacking energy: -59.826
Base-Backbone interact. energy: 0.520
local terms energy: -104.992580
where:
bonds (distance) C4'-P energy: -25.072
bonds (distance) P-C4' energy: -31.060
flat angles C4'-P-C4' energy: -32.138
flat angles P-C4'-P energy: -6.657
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: 1, replica: 1
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -687.209194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.209194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.209194 (E_RNA)
where:
Base-Base interactions energy: -464.040
where: short stacking energy: -204.099
Base-Backbone interact. energy: -0.609
local terms energy: -222.559651
where:
bonds (distance) C4'-P energy: -38.406
bonds (distance) P-C4' energy: -42.365
flat angles C4'-P-C4' energy: -50.550
flat angles P-C4'-P energy: -30.244
tors. eta vs tors. theta energy: -60.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -684.446588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.446588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.446588 (E_RNA)
where:
Base-Base interactions energy: -467.247
where: short stacking energy: -191.050
Base-Backbone interact. energy: 0.327
local terms energy: -217.526452
where:
bonds (distance) C4'-P energy: -36.852
bonds (distance) P-C4' energy: -42.954
flat angles C4'-P-C4' energy: -43.051
flat angles P-C4'-P energy: -29.412
tors. eta vs tors. theta energy: -65.257
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: 9
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -615.298575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.298575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.298575 (E_RNA)
where:
Base-Base interactions energy: -411.777
where: short stacking energy: -179.710
Base-Backbone interact. energy: 0.132
local terms energy: -203.652978
where:
bonds (distance) C4'-P energy: -40.530
bonds (distance) P-C4' energy: -33.323
flat angles C4'-P-C4' energy: -43.421
flat angles P-C4'-P energy: -30.991
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: 4, replica: 7
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -593.664586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.664586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.664586 (E_RNA)
where:
Base-Base interactions energy: -396.913
where: short stacking energy: -175.767
Base-Backbone interact. energy: -0.620
local terms energy: -196.131537
where:
bonds (distance) C4'-P energy: -39.768
bonds (distance) P-C4' energy: -36.029
flat angles C4'-P-C4' energy: -43.085
flat angles P-C4'-P energy: -24.847
tors. eta vs tors. theta energy: -52.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -587.254489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.254489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.254489 (E_RNA)
where:
Base-Base interactions energy: -388.858
where: short stacking energy: -174.179
Base-Backbone interact. energy: -0.402
local terms energy: -197.994499
where:
bonds (distance) C4'-P energy: -44.316
bonds (distance) P-C4' energy: -43.055
flat angles C4'-P-C4' energy: -37.141
flat angles P-C4'-P energy: -22.191
tors. eta vs tors. theta energy: -51.292
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: 441
Temperature: 1.150000
Total energy: -536.493950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.493950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.493950 (E_RNA)
where:
Base-Base interactions energy: -340.719
where: short stacking energy: -156.209
Base-Backbone interact. energy: -0.314
local terms energy: -195.460868
where:
bonds (distance) C4'-P energy: -34.761
bonds (distance) P-C4' energy: -37.267
flat angles C4'-P-C4' energy: -48.506
flat angles P-C4'-P energy: -31.819
tors. eta vs tors. theta energy: -43.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -473.644109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.644109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.644109 (E_RNA)
where:
Base-Base interactions energy: -308.356
where: short stacking energy: -131.602
Base-Backbone interact. energy: 1.567
local terms energy: -166.854873
where:
bonds (distance) C4'-P energy: -32.260
bonds (distance) P-C4' energy: -34.752
flat angles C4'-P-C4' energy: -41.608
flat angles P-C4'-P energy: -28.144
tors. eta vs tors. theta energy: -30.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -200.753682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.753682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.753682 (E_RNA)
where:
Base-Base interactions energy: -87.740
where: short stacking energy: -62.465
Base-Backbone interact. energy: -0.530
local terms energy: -112.484185
where:
bonds (distance) C4'-P energy: -24.570
bonds (distance) P-C4' energy: -29.143
flat angles C4'-P-C4' energy: -30.324
flat angles P-C4'-P energy: -18.323
tors. eta vs tors. theta energy: -10.123
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: 9, replica: 8
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -178.547480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.547480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.547480 (E_RNA)
where:
Base-Base interactions energy: -66.237
where: short stacking energy: -40.729
Base-Backbone interact. energy: -1.903
local terms energy: -110.406711
where:
bonds (distance) C4'-P energy: -34.081
bonds (distance) P-C4' energy: -36.187
flat angles C4'-P-C4' energy: -28.281
flat angles P-C4'-P energy: -23.936
tors. eta vs tors. theta energy: 12.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -222.480661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.480661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.480661 (E_RNA)
where:
Base-Base interactions energy: -111.836
where: short stacking energy: -50.650
Base-Backbone interact. energy: -1.183
local terms energy: -109.461303
where:
bonds (distance) C4'-P energy: -40.483
bonds (distance) P-C4' energy: -31.872
flat angles C4'-P-C4' energy: -24.008
flat angles P-C4'-P energy: -15.751
tors. eta vs tors. theta energy: 2.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -678.235308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.235308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.235308 (E_RNA)
where:
Base-Base interactions energy: -464.602
where: short stacking energy: -208.275
Base-Backbone interact. energy: -1.446
local terms energy: -212.187520
where:
bonds (distance) C4'-P energy: -39.560
bonds (distance) P-C4' energy: -38.026
flat angles C4'-P-C4' energy: -48.658
flat angles P-C4'-P energy: -30.494
tors. eta vs tors. theta energy: -55.450
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: 3
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -672.883798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.883798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.883798 (E_RNA)
where:
Base-Base interactions energy: -454.064
where: short stacking energy: -185.223
Base-Backbone interact. energy: 0.035
local terms energy: -218.854926
where:
bonds (distance) C4'-P energy: -39.111
bonds (distance) P-C4' energy: -40.970
flat angles C4'-P-C4' energy: -48.536
flat angles P-C4'-P energy: -28.107
tors. eta vs tors. theta energy: -62.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -605.779165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.779165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.779165 (E_RNA)
where:
Base-Base interactions energy: -402.760
where: short stacking energy: -185.837
Base-Backbone interact. energy: -0.149
local terms energy: -202.869332
where:
bonds (distance) C4'-P energy: -26.791
bonds (distance) P-C4' energy: -47.691
flat angles C4'-P-C4' energy: -49.777
flat angles P-C4'-P energy: -25.808
tors. eta vs tors. theta energy: -52.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -604.836567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.836567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.836567 (E_RNA)
where:
Base-Base interactions energy: -401.249
where: short stacking energy: -155.695
Base-Backbone interact. energy: -0.335
local terms energy: -203.252670
where:
bonds (distance) C4'-P energy: -41.434
bonds (distance) P-C4' energy: -40.047
flat angles C4'-P-C4' energy: -37.939
flat angles P-C4'-P energy: -30.540
tors. eta vs tors. theta energy: -53.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -564.781277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.781277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.781277 (E_RNA)
where:
Base-Base interactions energy: -372.608
where: short stacking energy: -167.742
Base-Backbone interact. energy: 0.758
local terms energy: -192.931764
where:
bonds (distance) C4'-P energy: -28.598
bonds (distance) P-C4' energy: -41.709
flat angles C4'-P-C4' energy: -38.258
flat angles P-C4'-P energy: -31.822
tors. eta vs tors. theta energy: -52.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -563.539666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.539666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.539666 (E_RNA)
where:
Base-Base interactions energy: -382.799
where: short stacking energy: -164.665
Base-Backbone interact. energy: 0.752
local terms energy: -181.492274
where:
bonds (distance) C4'-P energy: -27.658
bonds (distance) P-C4' energy: -36.944
flat angles C4'-P-C4' energy: -37.169
flat angles P-C4'-P energy: -24.354
tors. eta vs tors. theta energy: -55.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -449.702804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.702804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.702804 (E_RNA)
where:
Base-Base interactions energy: -283.416
where: short stacking energy: -117.744
Base-Backbone interact. energy: -0.362
local terms energy: -165.924608
where:
bonds (distance) C4'-P energy: -32.215
bonds (distance) P-C4' energy: -37.890
flat angles C4'-P-C4' energy: -37.799
flat angles P-C4'-P energy: -24.902
tors. eta vs tors. theta energy: -33.119
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: 8, replica: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -200.071511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.071511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.071511 (E_RNA)
where:
Base-Base interactions energy: -83.901
where: short stacking energy: -57.174
Base-Backbone interact. energy: 0.800
local terms energy: -116.970139
where:
bonds (distance) C4'-P energy: -30.877
bonds (distance) P-C4' energy: -31.011
flat angles C4'-P-C4' energy: -27.449
flat angles P-C4'-P energy: -21.819
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: 9, replica: 10
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -198.792657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.792657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.792657 (E_RNA)
where:
Base-Base interactions energy: -94.273
where: short stacking energy: -60.329
Base-Backbone interact. energy: 1.610
local terms energy: -106.129742
where:
bonds (distance) C4'-P energy: -39.004
bonds (distance) P-C4' energy: -27.289
flat angles C4'-P-C4' energy: -27.129
flat angles P-C4'-P energy: -16.386
tors. eta vs tors. theta energy: 3.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -181.845574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.845574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.845574 (E_RNA)
where:
Base-Base interactions energy: -62.939
where: short stacking energy: -52.485
Base-Backbone interact. energy: 0.438
local terms energy: -119.344277
where:
bonds (distance) C4'-P energy: -40.237
bonds (distance) P-C4' energy: -37.881
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -23.290
tors. eta vs tors. theta energy: 0.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -677.229957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.229957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.229957 (E_RNA)
where:
Base-Base interactions energy: -462.833
where: short stacking energy: -204.024
Base-Backbone interact. energy: -0.987
local terms energy: -213.409932
where:
bonds (distance) C4'-P energy: -45.382
bonds (distance) P-C4' energy: -34.797
flat angles C4'-P-C4' energy: -37.516
flat angles P-C4'-P energy: -34.799
tors. eta vs tors. theta energy: -60.917
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: 3
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -668.985367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.985367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.985367 (E_RNA)
where:
Base-Base interactions energy: -459.161
where: short stacking energy: -186.939
Base-Backbone interact. energy: 0.830
local terms energy: -210.654289
where:
bonds (distance) C4'-P energy: -36.307
bonds (distance) P-C4' energy: -39.464
flat angles C4'-P-C4' energy: -48.440
flat angles P-C4'-P energy: -26.083
tors. eta vs tors. theta energy: -60.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -608.254163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.254163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.254163 (E_RNA)
where:
Base-Base interactions energy: -408.384
where: short stacking energy: -177.226
Base-Backbone interact. energy: -0.070
local terms energy: -199.800893
where:
bonds (distance) C4'-P energy: -39.052
bonds (distance) P-C4' energy: -33.773
flat angles C4'-P-C4' energy: -42.908
flat angles P-C4'-P energy: -29.356
tors. eta vs tors. theta energy: -54.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -593.440814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.440814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.440814 (E_RNA)
where:
Base-Base interactions energy: -399.734
where: short stacking energy: -171.346
Base-Backbone interact. energy: -0.186
local terms energy: -193.520760
where:
bonds (distance) C4'-P energy: -39.912
bonds (distance) P-C4' energy: -42.631
flat angles C4'-P-C4' energy: -41.074
flat angles P-C4'-P energy: -25.807
tors. eta vs tors. theta energy: -44.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -554.110452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.110452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.110452 (E_RNA)
where:
Base-Base interactions energy: -371.342
where: short stacking energy: -171.423
Base-Backbone interact. energy: -0.083
local terms energy: -182.685607
where:
bonds (distance) C4'-P energy: -35.983
bonds (distance) P-C4' energy: -35.029
flat angles C4'-P-C4' energy: -38.654
flat angles P-C4'-P energy: -27.789
tors. eta vs tors. theta energy: -45.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -553.929183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.929183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.929183 (E_RNA)
where:
Base-Base interactions energy: -360.307
where: short stacking energy: -145.068
Base-Backbone interact. energy: -0.290
local terms energy: -193.332297
where:
bonds (distance) C4'-P energy: -37.937
bonds (distance) P-C4' energy: -42.620
flat angles C4'-P-C4' energy: -39.385
flat angles P-C4'-P energy: -24.715
tors. eta vs tors. theta energy: -48.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -449.953384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.953384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.953384 (E_RNA)
where:
Base-Base interactions energy: -285.415
where: short stacking energy: -132.083
Base-Backbone interact. energy: -0.504
local terms energy: -164.034518
where:
bonds (distance) C4'-P energy: -34.532
bonds (distance) P-C4' energy: -38.642
flat angles C4'-P-C4' energy: -30.668
flat angles P-C4'-P energy: -25.361
tors. eta vs tors. theta energy: -34.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -187.861272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.861272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.861272 (E_RNA)
where:
Base-Base interactions energy: -67.448
where: short stacking energy: -46.058
Base-Backbone interact. energy: -1.443
local terms energy: -118.970052
where:
bonds (distance) C4'-P energy: -26.633
bonds (distance) P-C4' energy: -44.643
flat angles C4'-P-C4' energy: -30.696
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -4.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -195.984805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.984805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.984805 (E_RNA)
where:
Base-Base interactions energy: -71.799
where: short stacking energy: -62.343
Base-Backbone interact. energy: -0.197
local terms energy: -123.988182
where:
bonds (distance) C4'-P energy: -34.925
bonds (distance) P-C4' energy: -33.192
flat angles C4'-P-C4' energy: -35.565
flat angles P-C4'-P energy: -21.464
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: 10, replica: 8
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -177.269390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.269390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.269390 (E_RNA)
where:
Base-Base interactions energy: -59.342
where: short stacking energy: -44.693
Base-Backbone interact. energy: -0.333
local terms energy: -117.594080
where:
bonds (distance) C4'-P energy: -33.662
bonds (distance) P-C4' energy: -35.324
flat angles C4'-P-C4' energy: -38.157
flat angles P-C4'-P energy: -21.766
tors. eta vs tors. theta energy: 11.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -683.177106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.177106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.177106 (E_RNA)
where:
Base-Base interactions energy: -468.224
where: short stacking energy: -205.496
Base-Backbone interact. energy: 1.522
local terms energy: -216.474769
where:
bonds (distance) C4'-P energy: -32.110
bonds (distance) P-C4' energy: -44.342
flat angles C4'-P-C4' energy: -47.336
flat angles P-C4'-P energy: -31.091
tors. eta vs tors. theta energy: -61.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -666.294347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.294347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.294347 (E_RNA)
where:
Base-Base interactions energy: -443.280
where: short stacking energy: -191.404
Base-Backbone interact. energy: -0.216
local terms energy: -222.797781
where:
bonds (distance) C4'-P energy: -41.920
bonds (distance) P-C4' energy: -42.670
flat angles C4'-P-C4' energy: -45.272
flat angles P-C4'-P energy: -34.668
tors. eta vs tors. theta energy: -58.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -600.234419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.234419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.234419 (E_RNA)
where:
Base-Base interactions energy: -392.168
where: short stacking energy: -175.676
Base-Backbone interact. energy: -1.041
local terms energy: -207.025290
where:
bonds (distance) C4'-P energy: -39.801
bonds (distance) P-C4' energy: -33.084
flat angles C4'-P-C4' energy: -42.517
flat angles P-C4'-P energy: -32.815
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: 4, replica: 9
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -597.901846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.901846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.901846 (E_RNA)
where:
Base-Base interactions energy: -398.391
where: short stacking energy: -166.696
Base-Backbone interact. energy: -0.158
local terms energy: -199.353190
where:
bonds (distance) C4'-P energy: -30.828
bonds (distance) P-C4' energy: -44.240
flat angles C4'-P-C4' energy: -40.348
flat angles P-C4'-P energy: -23.547
tors. eta vs tors. theta energy: -60.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -567.220853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.220853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.220853 (E_RNA)
where:
Base-Base interactions energy: -379.514
where: short stacking energy: -146.774
Base-Backbone interact. energy: 0.954
local terms energy: -188.660649
where:
bonds (distance) C4'-P energy: -29.728
bonds (distance) P-C4' energy: -42.109
flat angles C4'-P-C4' energy: -44.207
flat angles P-C4'-P energy: -27.385
tors. eta vs tors. theta energy: -45.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -544.491043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.491043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.491043 (E_RNA)
where:
Base-Base interactions energy: -351.410
where: short stacking energy: -168.945
Base-Backbone interact. energy: 1.163
local terms energy: -194.243523
where:
bonds (distance) C4'-P energy: -38.931
bonds (distance) P-C4' energy: -33.866
flat angles C4'-P-C4' energy: -34.396
flat angles P-C4'-P energy: -33.379
tors. eta vs tors. theta energy: -53.671
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: 7, replica: 5
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -468.186998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.186998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.186998 (E_RNA)
where:
Base-Base interactions energy: -310.426
where: short stacking energy: -130.514
Base-Backbone interact. energy: -0.601
local terms energy: -157.160242
where:
bonds (distance) C4'-P energy: -32.478
bonds (distance) P-C4' energy: -31.704
flat angles C4'-P-C4' energy: -42.945
flat angles P-C4'-P energy: -18.576
tors. eta vs tors. theta energy: -31.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -232.403619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.403619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.403619 (E_RNA)
where:
Base-Base interactions energy: -106.467
where: short stacking energy: -68.954
Base-Backbone interact. energy: -1.236
local terms energy: -124.700382
where:
bonds (distance) C4'-P energy: -35.739
bonds (distance) P-C4' energy: -30.134
flat angles C4'-P-C4' energy: -37.605
flat angles P-C4'-P energy: -16.666
tors. eta vs tors. theta energy: -4.556
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: 444
Temperature: 1.300000
Total energy: -191.931554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.931554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.931554 (E_RNA)
where:
Base-Base interactions energy: -70.566
where: short stacking energy: -63.012
Base-Backbone interact. energy: -0.862
local terms energy: -120.503974
where:
bonds (distance) C4'-P energy: -36.012
bonds (distance) P-C4' energy: -40.939
flat angles C4'-P-C4' energy: -26.636
flat angles P-C4'-P energy: -14.692
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: 8
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -188.747574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.747574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.747574 (E_RNA)
where:
Base-Base interactions energy: -68.225
where: short stacking energy: -59.876
Base-Backbone interact. energy: -0.357
local terms energy: -120.165708
where:
bonds (distance) C4'-P energy: -30.984
bonds (distance) P-C4' energy: -28.143
flat angles C4'-P-C4' energy: -31.987
flat angles P-C4'-P energy: -17.563
tors. eta vs tors. theta energy: -11.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -681.246943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.246943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.246943 (E_RNA)
where:
Base-Base interactions energy: -466.143
where: short stacking energy: -206.359
Base-Backbone interact. energy: -0.826
local terms energy: -214.277722
where:
bonds (distance) C4'-P energy: -36.508
bonds (distance) P-C4' energy: -34.406
flat angles C4'-P-C4' energy: -46.414
flat angles P-C4'-P energy: -31.304
tors. eta vs tors. theta energy: -65.646
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: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -663.069640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.069640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.069640 (E_RNA)
where:
Base-Base interactions energy: -446.796
where: short stacking energy: -184.671
Base-Backbone interact. energy: -0.371
local terms energy: -215.902524
where:
bonds (distance) C4'-P energy: -39.534
bonds (distance) P-C4' energy: -41.250
flat angles C4'-P-C4' energy: -43.374
flat angles P-C4'-P energy: -37.223
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: 3, replica: 7
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -622.670615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.670615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.670615 (E_RNA)
where:
Base-Base interactions energy: -412.401
where: short stacking energy: -193.592
Base-Backbone interact. energy: -2.606
local terms energy: -207.663704
where:
bonds (distance) C4'-P energy: -34.495
bonds (distance) P-C4' energy: -37.505
flat angles C4'-P-C4' energy: -41.959
flat angles P-C4'-P energy: -27.444
tors. eta vs tors. theta energy: -66.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -608.727494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.727494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.727494 (E_RNA)
where:
Base-Base interactions energy: -409.637
where: short stacking energy: -174.416
Base-Backbone interact. energy: 0.115
local terms energy: -199.204917
where:
bonds (distance) C4'-P energy: -37.976
bonds (distance) P-C4' energy: -42.346
flat angles C4'-P-C4' energy: -37.922
flat angles P-C4'-P energy: -23.224
tors. eta vs tors. theta energy: -57.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -571.575669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.575669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.575669 (E_RNA)
where:
Base-Base interactions energy: -389.488
where: short stacking energy: -158.352
Base-Backbone interact. energy: 0.853
local terms energy: -182.941225
where:
bonds (distance) C4'-P energy: -37.092
bonds (distance) P-C4' energy: -36.677
flat angles C4'-P-C4' energy: -27.151
flat angles P-C4'-P energy: -29.492
tors. eta vs tors. theta energy: -52.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -553.372422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.372422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.372422 (E_RNA)
where:
Base-Base interactions energy: -353.127
where: short stacking energy: -150.873
Base-Backbone interact. energy: -2.168
local terms energy: -198.077709
where:
bonds (distance) C4'-P energy: -39.071
bonds (distance) P-C4' energy: -38.120
flat angles C4'-P-C4' energy: -46.037
flat angles P-C4'-P energy: -22.740
tors. eta vs tors. theta energy: -52.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -444.097889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.097889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.097889 (E_RNA)
where:
Base-Base interactions energy: -298.510
where: short stacking energy: -114.908
Base-Backbone interact. energy: -0.917
local terms energy: -144.671390
where:
bonds (distance) C4'-P energy: -34.924
bonds (distance) P-C4' energy: -36.863
flat angles C4'-P-C4' energy: -29.500
flat angles P-C4'-P energy: -16.000
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: 8, replica: 6
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -213.701361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.701361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.701361 (E_RNA)
where:
Base-Base interactions energy: -81.518
where: short stacking energy: -60.057
Base-Backbone interact. energy: 1.971
local terms energy: -134.154222
where:
bonds (distance) C4'-P energy: -38.161
bonds (distance) P-C4' energy: -34.513
flat angles C4'-P-C4' energy: -35.957
flat angles P-C4'-P energy: -15.232
tors. eta vs tors. theta energy: -10.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -202.258146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.258146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.258146 (E_RNA)
where:
Base-Base interactions energy: -89.818
where: short stacking energy: -56.593
Base-Backbone interact. energy: -0.548
local terms energy: -111.891647
where:
bonds (distance) C4'-P energy: -37.347
bonds (distance) P-C4' energy: -29.930
flat angles C4'-P-C4' energy: -29.163
flat angles P-C4'-P energy: -20.641
tors. eta vs tors. theta energy: 5.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -198.216453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.216453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.216453 (E_RNA)
where:
Base-Base interactions energy: -74.582
where: short stacking energy: -45.181
Base-Backbone interact. energy: -0.283
local terms energy: -123.351327
where:
bonds (distance) C4'-P energy: -28.316
bonds (distance) P-C4' energy: -30.101
flat angles C4'-P-C4' energy: -39.739
flat angles P-C4'-P energy: -26.899
tors. eta vs tors. theta energy: 1.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -680.747592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.747592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.747592 (E_RNA)
where:
Base-Base interactions energy: -457.977
where: short stacking energy: -166.736
Base-Backbone interact. energy: -1.647
local terms energy: -221.122881
where:
bonds (distance) C4'-P energy: -41.950
bonds (distance) P-C4' energy: -42.658
flat angles C4'-P-C4' energy: -46.456
flat angles P-C4'-P energy: -32.748
tors. eta vs tors. theta energy: -57.310
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: 2, replica: 1
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -663.772404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.772404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.772404 (E_RNA)
where:
Base-Base interactions energy: -456.157
where: short stacking energy: -194.702
Base-Backbone interact. energy: -0.602
local terms energy: -207.012834
where:
bonds (distance) C4'-P energy: -32.990
bonds (distance) P-C4' energy: -39.775
flat angles C4'-P-C4' energy: -43.903
flat angles P-C4'-P energy: -30.046
tors. eta vs tors. theta energy: -60.299
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: 9
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -616.736835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.736835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.736835 (E_RNA)
where:
Base-Base interactions energy: -419.648
where: short stacking energy: -181.509
Base-Backbone interact. energy: 0.284
local terms energy: -197.373134
where:
bonds (distance) C4'-P energy: -34.630
bonds (distance) P-C4' energy: -36.825
flat angles C4'-P-C4' energy: -35.366
flat angles P-C4'-P energy: -32.619
tors. eta vs tors. theta energy: -57.933
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: 446
Temperature: 1.050000
Total energy: -618.187960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.187960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.187960 (E_RNA)
where:
Base-Base interactions energy: -410.776
where: short stacking energy: -181.503
Base-Backbone interact. energy: -1.235
local terms energy: -206.177031
where:
bonds (distance) C4'-P energy: -28.631
bonds (distance) P-C4' energy: -39.164
flat angles C4'-P-C4' energy: -44.807
flat angles P-C4'-P energy: -32.930
tors. eta vs tors. theta energy: -60.645
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: 446
Temperature: 1.100000
Total energy: -554.915186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.915186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.915186 (E_RNA)
where:
Base-Base interactions energy: -364.926
where: short stacking energy: -182.505
Base-Backbone interact. energy: 0.323
local terms energy: -190.313000
where:
bonds (distance) C4'-P energy: -37.618
bonds (distance) P-C4' energy: -31.511
flat angles C4'-P-C4' energy: -40.031
flat angles P-C4'-P energy: -29.776
tors. eta vs tors. theta energy: -51.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -544.403457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.403457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.403457 (E_RNA)
where:
Base-Base interactions energy: -353.417
where: short stacking energy: -159.602
Base-Backbone interact. energy: -1.312
local terms energy: -189.674620
where:
bonds (distance) C4'-P energy: -36.833
bonds (distance) P-C4' energy: -33.302
flat angles C4'-P-C4' energy: -41.183
flat angles P-C4'-P energy: -32.116
tors. eta vs tors. theta energy: -46.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -480.999386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.999386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.999386 (E_RNA)
where:
Base-Base interactions energy: -309.127
where: short stacking energy: -152.402
Base-Backbone interact. energy: -0.657
local terms energy: -171.215489
where:
bonds (distance) C4'-P energy: -34.233
bonds (distance) P-C4' energy: -35.666
flat angles C4'-P-C4' energy: -31.544
flat angles P-C4'-P energy: -24.436
tors. eta vs tors. theta energy: -45.337
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: 8, replica: 6
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -202.198166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.198166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.198166 (E_RNA)
where:
Base-Base interactions energy: -85.830
where: short stacking energy: -59.599
Base-Backbone interact. energy: -0.055
local terms energy: -116.313761
where:
bonds (distance) C4'-P energy: -34.614
bonds (distance) P-C4' energy: -36.442
flat angles C4'-P-C4' energy: -32.904
flat angles P-C4'-P energy: -14.913
tors. eta vs tors. theta energy: 2.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -226.146407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.146407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.146407 (E_RNA)
where:
Base-Base interactions energy: -107.479
where: short stacking energy: -62.816
Base-Backbone interact. energy: -0.907
local terms energy: -117.760443
where:
bonds (distance) C4'-P energy: -29.492
bonds (distance) P-C4' energy: -43.612
flat angles C4'-P-C4' energy: -28.360
flat angles P-C4'-P energy: -18.627
tors. eta vs tors. theta energy: 2.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -162.988586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.988586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.988586 (E_RNA)
where:
Base-Base interactions energy: -57.110
where: short stacking energy: -40.251
Base-Backbone interact. energy: -1.129
local terms energy: -104.750338
where:
bonds (distance) C4'-P energy: -29.725
bonds (distance) P-C4' energy: -41.666
flat angles C4'-P-C4' energy: -23.523
flat angles P-C4'-P energy: -23.333
tors. eta vs tors. theta energy: 13.496
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: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -687.704646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.704646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.704646 (E_RNA)
where:
Base-Base interactions energy: -470.477
where: short stacking energy: -193.760
Base-Backbone interact. energy: -0.273
local terms energy: -216.954034
where:
bonds (distance) C4'-P energy: -37.204
bonds (distance) P-C4' energy: -35.415
flat angles C4'-P-C4' energy: -43.783
flat angles P-C4'-P energy: -35.609
tors. eta vs tors. theta energy: -64.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -630.159816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.159816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.159816 (E_RNA)
where:
Base-Base interactions energy: -433.236
where: short stacking energy: -195.221
Base-Backbone interact. energy: -0.029
local terms energy: -196.894608
where:
bonds (distance) C4'-P energy: -33.276
bonds (distance) P-C4' energy: -35.113
flat angles C4'-P-C4' energy: -43.305
flat angles P-C4'-P energy: -25.049
tors. eta vs tors. theta energy: -60.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -653.048150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.048150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.048150 (E_RNA)
where:
Base-Base interactions energy: -444.322
where: short stacking energy: -198.627
Base-Backbone interact. energy: -1.277
local terms energy: -207.449655
where:
bonds (distance) C4'-P energy: -31.602
bonds (distance) P-C4' energy: -38.691
flat angles C4'-P-C4' energy: -46.836
flat angles P-C4'-P energy: -29.936
tors. eta vs tors. theta energy: -60.384
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: 7
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -581.033570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.033570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.033570 (E_RNA)
where:
Base-Base interactions energy: -368.039
where: short stacking energy: -174.332
Base-Backbone interact. energy: -0.569
local terms energy: -212.425078
where:
bonds (distance) C4'-P energy: -42.977
bonds (distance) P-C4' energy: -39.046
flat angles C4'-P-C4' energy: -48.128
flat angles P-C4'-P energy: -27.646
tors. eta vs tors. theta energy: -54.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -557.273793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.273793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.273793 (E_RNA)
where:
Base-Base interactions energy: -356.850
where: short stacking energy: -177.678
Base-Backbone interact. energy: -0.202
local terms energy: -200.220878
where:
bonds (distance) C4'-P energy: -33.102
bonds (distance) P-C4' energy: -48.637
flat angles C4'-P-C4' energy: -45.073
flat angles P-C4'-P energy: -21.617
tors. eta vs tors. theta energy: -51.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -548.990332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.990332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.990332 (E_RNA)
where:
Base-Base interactions energy: -371.805
where: short stacking energy: -151.414
Base-Backbone interact. energy: -0.319
local terms energy: -176.866253
where:
bonds (distance) C4'-P energy: -34.805
bonds (distance) P-C4' energy: -31.361
flat angles C4'-P-C4' energy: -37.700
flat angles P-C4'-P energy: -25.459
tors. eta vs tors. theta energy: -47.542
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: 5
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -495.740217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.740217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.740217 (E_RNA)
where:
Base-Base interactions energy: -335.334
where: short stacking energy: -135.128
Base-Backbone interact. energy: -0.675
local terms energy: -159.731609
where:
bonds (distance) C4'-P energy: -36.032
bonds (distance) P-C4' energy: -39.327
flat angles C4'-P-C4' energy: -30.873
flat angles P-C4'-P energy: -17.449
tors. eta vs tors. theta energy: -36.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -246.936603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.936603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.936603 (E_RNA)
where:
Base-Base interactions energy: -126.168
where: short stacking energy: -82.726
Base-Backbone interact. energy: -0.590
local terms energy: -120.178515
where:
bonds (distance) C4'-P energy: -29.658
bonds (distance) P-C4' energy: -31.342
flat angles C4'-P-C4' energy: -25.418
flat angles P-C4'-P energy: -27.075
tors. eta vs tors. theta energy: -6.685
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: 6
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -193.760356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.760356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.760356 (E_RNA)
where:
Base-Base interactions energy: -75.098
where: short stacking energy: -40.168
Base-Backbone interact. energy: 1.394
local terms energy: -120.056443
where:
bonds (distance) C4'-P energy: -35.174
bonds (distance) P-C4' energy: -38.106
flat angles C4'-P-C4' energy: -35.881
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: 2.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -183.814359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.814359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.814359 (E_RNA)
where:
Base-Base interactions energy: -78.175
where: short stacking energy: -43.901
Base-Backbone interact. energy: 0.390
local terms energy: -106.028424
where:
bonds (distance) C4'-P energy: -36.476
bonds (distance) P-C4' energy: -33.759
flat angles C4'-P-C4' energy: -22.582
flat angles P-C4'-P energy: -20.988
tors. eta vs tors. theta energy: 7.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -675.178656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.178656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.178656 (E_RNA)
where:
Base-Base interactions energy: -457.514
where: short stacking energy: -188.780
Base-Backbone interact. energy: -0.699
local terms energy: -216.966170
where:
bonds (distance) C4'-P energy: -40.623
bonds (distance) P-C4' energy: -38.661
flat angles C4'-P-C4' energy: -44.957
flat angles P-C4'-P energy: -30.704
tors. eta vs tors. theta energy: -62.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -631.189484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.189484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.189484 (E_RNA)
where:
Base-Base interactions energy: -420.956
where: short stacking energy: -182.145
Base-Backbone interact. energy: 0.364
local terms energy: -210.597458
where:
bonds (distance) C4'-P energy: -45.580
bonds (distance) P-C4' energy: -33.958
flat angles C4'-P-C4' energy: -45.832
flat angles P-C4'-P energy: -29.702
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: 3, replica: 1
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -651.694246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.694246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.694246 (E_RNA)
where:
Base-Base interactions energy: -444.361
where: short stacking energy: -189.273
Base-Backbone interact. energy: 0.368
local terms energy: -207.701322
where:
bonds (distance) C4'-P energy: -35.698
bonds (distance) P-C4' energy: -28.616
flat angles C4'-P-C4' energy: -50.540
flat angles P-C4'-P energy: -39.167
tors. eta vs tors. theta energy: -53.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -593.335413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.335413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.335413 (E_RNA)
where:
Base-Base interactions energy: -398.160
where: short stacking energy: -181.585
Base-Backbone interact. energy: 0.959
local terms energy: -196.134572
where:
bonds (distance) C4'-P energy: -33.125
bonds (distance) P-C4' energy: -36.157
flat angles C4'-P-C4' energy: -39.779
flat angles P-C4'-P energy: -34.084
tors. eta vs tors. theta energy: -52.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -573.858849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.858849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.858849 (E_RNA)
where:
Base-Base interactions energy: -391.942
where: short stacking energy: -164.007
Base-Backbone interact. energy: -0.457
local terms energy: -181.459443
where:
bonds (distance) C4'-P energy: -31.084
bonds (distance) P-C4' energy: -33.316
flat angles C4'-P-C4' energy: -38.463
flat angles P-C4'-P energy: -26.376
tors. eta vs tors. theta energy: -52.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -556.166483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.166483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.166483 (E_RNA)
where:
Base-Base interactions energy: -381.312
where: short stacking energy: -173.435
Base-Backbone interact. energy: -1.333
local terms energy: -173.521458
where:
bonds (distance) C4'-P energy: -23.078
bonds (distance) P-C4' energy: -34.091
flat angles C4'-P-C4' energy: -37.765
flat angles P-C4'-P energy: -24.904
tors. eta vs tors. theta energy: -53.683
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: 5
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -528.900191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.900191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.900191 (E_RNA)
where:
Base-Base interactions energy: -367.674
where: short stacking energy: -149.629
Base-Backbone interact. energy: -0.150
local terms energy: -161.076746
where:
bonds (distance) C4'-P energy: -29.999
bonds (distance) P-C4' energy: -35.115
flat angles C4'-P-C4' energy: -34.699
flat angles P-C4'-P energy: -19.078
tors. eta vs tors. theta energy: -42.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -270.612106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.612106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.612106 (E_RNA)
where:
Base-Base interactions energy: -127.954
where: short stacking energy: -82.657
Base-Backbone interact. energy: -0.402
local terms energy: -142.255503
where:
bonds (distance) C4'-P energy: -34.409
bonds (distance) P-C4' energy: -32.379
flat angles C4'-P-C4' energy: -30.732
flat angles P-C4'-P energy: -22.839
tors. eta vs tors. theta energy: -21.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -215.925399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.925399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.925399 (E_RNA)
where:
Base-Base interactions energy: -97.511
where: short stacking energy: -50.262
Base-Backbone interact. energy: -1.479
local terms energy: -116.935330
where:
bonds (distance) C4'-P energy: -33.287
bonds (distance) P-C4' energy: -30.335
flat angles C4'-P-C4' energy: -35.307
flat angles P-C4'-P energy: -17.718
tors. eta vs tors. theta energy: -0.289
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: 6
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -175.702454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.702454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.702454 (E_RNA)
where:
Base-Base interactions energy: -58.076
where: short stacking energy: -52.783
Base-Backbone interact. energy: -0.914
local terms energy: -116.713208
where:
bonds (distance) C4'-P energy: -27.552
bonds (distance) P-C4' energy: -31.783
flat angles C4'-P-C4' energy: -39.852
flat angles P-C4'-P energy: -18.405
tors. eta vs tors. theta energy: 0.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -684.768192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.768192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.768192 (E_RNA)
where:
Base-Base interactions energy: -471.220
where: short stacking energy: -198.909
Base-Backbone interact. energy: 1.177
local terms energy: -214.725055
where:
bonds (distance) C4'-P energy: -40.179
bonds (distance) P-C4' energy: -41.213
flat angles C4'-P-C4' energy: -45.591
flat angles P-C4'-P energy: -28.579
tors. eta vs tors. theta energy: -59.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -671.652622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.652622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.652622 (E_RNA)
where:
Base-Base interactions energy: -456.800
where: short stacking energy: -191.993
Base-Backbone interact. energy: -0.900
local terms energy: -213.953414
where:
bonds (distance) C4'-P energy: -45.212
bonds (distance) P-C4' energy: -43.236
flat angles C4'-P-C4' energy: -39.363
flat angles P-C4'-P energy: -28.692
tors. eta vs tors. theta energy: -57.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -609.581765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.581765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.581765 (E_RNA)
where:
Base-Base interactions energy: -419.614
where: short stacking energy: -173.259
Base-Backbone interact. energy: -0.728
local terms energy: -189.239236
where:
bonds (distance) C4'-P energy: -40.076
bonds (distance) P-C4' energy: -32.968
flat angles C4'-P-C4' energy: -36.454
flat angles P-C4'-P energy: -30.731
tors. eta vs tors. theta energy: -49.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -596.863451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.863451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.863451 (E_RNA)
where:
Base-Base interactions energy: -394.354
where: short stacking energy: -193.649
Base-Backbone interact. energy: -0.551
local terms energy: -201.959168
where:
bonds (distance) C4'-P energy: -35.265
bonds (distance) P-C4' energy: -33.000
flat angles C4'-P-C4' energy: -37.864
flat angles P-C4'-P energy: -29.874
tors. eta vs tors. theta energy: -65.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -573.693966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.693966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.693966 (E_RNA)
where:
Base-Base interactions energy: -396.102
where: short stacking energy: -164.664
Base-Backbone interact. energy: 0.682
local terms energy: -178.274078
where:
bonds (distance) C4'-P energy: -35.829
bonds (distance) P-C4' energy: -34.047
flat angles C4'-P-C4' energy: -27.935
flat angles P-C4'-P energy: -25.964
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: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -550.345845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.345845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.345845 (E_RNA)
where:
Base-Base interactions energy: -367.970
where: short stacking energy: -156.227
Base-Backbone interact. energy: -0.442
local terms energy: -181.933939
where:
bonds (distance) C4'-P energy: -34.701
bonds (distance) P-C4' energy: -39.392
flat angles C4'-P-C4' energy: -34.373
flat angles P-C4'-P energy: -28.398
tors. eta vs tors. theta energy: -45.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -518.744262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.744262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.744262 (E_RNA)
where:
Base-Base interactions energy: -340.864
where: short stacking energy: -146.224
Base-Backbone interact. energy: 0.298
local terms energy: -178.178555
where:
bonds (distance) C4'-P energy: -36.571
bonds (distance) P-C4' energy: -34.424
flat angles C4'-P-C4' energy: -38.871
flat angles P-C4'-P energy: -18.949
tors. eta vs tors. theta energy: -49.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -248.001499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.001499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.001499 (E_RNA)
where:
Base-Base interactions energy: -113.910
where: short stacking energy: -65.923
Base-Backbone interact. energy: -0.813
local terms energy: -133.278638
where:
bonds (distance) C4'-P energy: -37.843
bonds (distance) P-C4' energy: -41.625
flat angles C4'-P-C4' energy: -29.570
flat angles P-C4'-P energy: -22.501
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: 9, replica: 10
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -190.754069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.754069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.754069 (E_RNA)
where:
Base-Base interactions energy: -73.762
where: short stacking energy: -50.226
Base-Backbone interact. energy: 0.350
local terms energy: -117.342227
where:
bonds (distance) C4'-P energy: -39.910
bonds (distance) P-C4' energy: -28.451
flat angles C4'-P-C4' energy: -32.385
flat angles P-C4'-P energy: -19.586
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: 6
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -162.867779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.867779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.867779 (E_RNA)
where:
Base-Base interactions energy: -53.038
where: short stacking energy: -42.719
Base-Backbone interact. energy: -0.614
local terms energy: -109.216245
where:
bonds (distance) C4'-P energy: -36.971
bonds (distance) P-C4' energy: -34.592
flat angles C4'-P-C4' energy: -29.793
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: 7.299
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: 1
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -669.727231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.727231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.727231 (E_RNA)
where:
Base-Base interactions energy: -460.647
where: short stacking energy: -196.041
Base-Backbone interact. energy: 0.415
local terms energy: -209.495099
where:
bonds (distance) C4'-P energy: -37.450
bonds (distance) P-C4' energy: -36.452
flat angles C4'-P-C4' energy: -47.895
flat angles P-C4'-P energy: -30.162
tors. eta vs tors. theta energy: -57.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -679.370137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.370137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.370137 (E_RNA)
where:
Base-Base interactions energy: -461.572
where: short stacking energy: -190.569
Base-Backbone interact. energy: -0.959
local terms energy: -216.838817
where:
bonds (distance) C4'-P energy: -41.735
bonds (distance) P-C4' energy: -37.804
flat angles C4'-P-C4' energy: -45.378
flat angles P-C4'-P energy: -30.155
tors. eta vs tors. theta energy: -61.767
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: 9
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -617.992667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.992667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.992667 (E_RNA)
where:
Base-Base interactions energy: -402.191
where: short stacking energy: -178.790
Base-Backbone interact. energy: -0.158
local terms energy: -215.643810
where:
bonds (distance) C4'-P energy: -39.881
bonds (distance) P-C4' energy: -39.677
flat angles C4'-P-C4' energy: -43.115
flat angles P-C4'-P energy: -32.781
tors. eta vs tors. theta energy: -60.189
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: 7
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -589.161773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.161773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.161773 (E_RNA)
where:
Base-Base interactions energy: -381.624
where: short stacking energy: -197.540
Base-Backbone interact. energy: -1.315
local terms energy: -206.223126
where:
bonds (distance) C4'-P energy: -36.730
bonds (distance) P-C4' energy: -41.984
flat angles C4'-P-C4' energy: -36.670
flat angles P-C4'-P energy: -32.851
tors. eta vs tors. theta energy: -57.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -568.432443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.432443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.432443 (E_RNA)
where:
Base-Base interactions energy: -384.219
where: short stacking energy: -149.133
Base-Backbone interact. energy: -0.270
local terms energy: -183.943585
where:
bonds (distance) C4'-P energy: -33.153
bonds (distance) P-C4' energy: -41.304
flat angles C4'-P-C4' energy: -41.055
flat angles P-C4'-P energy: -22.867
tors. eta vs tors. theta energy: -45.565
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: 5
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -550.651242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.651242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.651242 (E_RNA)
where:
Base-Base interactions energy: -378.359
where: short stacking energy: -160.522
Base-Backbone interact. energy: -0.848
local terms energy: -171.443982
where:
bonds (distance) C4'-P energy: -37.877
bonds (distance) P-C4' energy: -30.350
flat angles C4'-P-C4' energy: -37.325
flat angles P-C4'-P energy: -20.682
tors. eta vs tors. theta energy: -45.209
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: 2
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -520.010108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.010108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.010108 (E_RNA)
where:
Base-Base interactions energy: -346.024
where: short stacking energy: -155.139
Base-Backbone interact. energy: -0.875
local terms energy: -173.111365
where:
bonds (distance) C4'-P energy: -29.977
bonds (distance) P-C4' energy: -35.783
flat angles C4'-P-C4' energy: -34.569
flat angles P-C4'-P energy: -28.242
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: 8, replica: 8
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -250.208227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.208227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.208227 (E_RNA)
where:
Base-Base interactions energy: -127.710
where: short stacking energy: -71.792
Base-Backbone interact. energy: -0.210
local terms energy: -122.287744
where:
bonds (distance) C4'-P energy: -27.481
bonds (distance) P-C4' energy: -40.047
flat angles C4'-P-C4' energy: -27.551
flat angles P-C4'-P energy: -20.352
tors. eta vs tors. theta energy: -6.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -214.362088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.362088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.362088 (E_RNA)
where:
Base-Base interactions energy: -83.191
where: short stacking energy: -67.041
Base-Backbone interact. energy: 0.225
local terms energy: -131.396419
where:
bonds (distance) C4'-P energy: -37.620
bonds (distance) P-C4' energy: -35.874
flat angles C4'-P-C4' energy: -30.458
flat angles P-C4'-P energy: -24.742
tors. eta vs tors. theta energy: -2.703
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: 10
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -173.196339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.196339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.196339 (E_RNA)
where:
Base-Base interactions energy: -48.695
where: short stacking energy: -49.098
Base-Backbone interact. energy: -0.868
local terms energy: -123.633206
where:
bonds (distance) C4'-P energy: -32.879
bonds (distance) P-C4' energy: -33.568
flat angles C4'-P-C4' energy: -41.193
flat angles P-C4'-P energy: -23.658
tors. eta vs tors. theta energy: 7.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -675.617205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.617205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.617205 (E_RNA)
where:
Base-Base interactions energy: -461.583
where: short stacking energy: -199.881
Base-Backbone interact. energy: -0.583
local terms energy: -213.450845
where:
bonds (distance) C4'-P energy: -42.515
bonds (distance) P-C4' energy: -35.263
flat angles C4'-P-C4' energy: -47.741
flat angles P-C4'-P energy: -28.367
tors. eta vs tors. theta energy: -59.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -669.546708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.546708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.546708 (E_RNA)
where:
Base-Base interactions energy: -456.755
where: short stacking energy: -195.030
Base-Backbone interact. energy: -0.359
local terms energy: -212.432358
where:
bonds (distance) C4'-P energy: -36.584
bonds (distance) P-C4' energy: -43.728
flat angles C4'-P-C4' energy: -35.320
flat angles P-C4'-P energy: -34.542
tors. eta vs tors. theta energy: -62.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -611.030021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.030021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.030021 (E_RNA)
where:
Base-Base interactions energy: -425.312
where: short stacking energy: -167.128
Base-Backbone interact. energy: -0.432
local terms energy: -185.286747
where:
bonds (distance) C4'-P energy: -39.493
bonds (distance) P-C4' energy: -37.148
flat angles C4'-P-C4' energy: -38.046
flat angles P-C4'-P energy: -19.938
tors. eta vs tors. theta energy: -50.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -590.209552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.209552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.209552 (E_RNA)
where:
Base-Base interactions energy: -388.833
where: short stacking energy: -186.552
Base-Backbone interact. energy: -0.689
local terms energy: -200.687777
where:
bonds (distance) C4'-P energy: -35.033
bonds (distance) P-C4' energy: -37.666
flat angles C4'-P-C4' energy: -42.313
flat angles P-C4'-P energy: -25.126
tors. eta vs tors. theta energy: -60.548
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: 5, replica: 4
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -571.706219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.706219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.706219 (E_RNA)
where:
Base-Base interactions energy: -387.052
where: short stacking energy: -165.407
Base-Backbone interact. energy: -0.176
local terms energy: -184.478118
where:
bonds (distance) C4'-P energy: -41.615
bonds (distance) P-C4' energy: -40.216
flat angles C4'-P-C4' energy: -35.960
flat angles P-C4'-P energy: -19.968
tors. eta vs tors. theta energy: -46.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -555.973502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.973502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.973502 (E_RNA)
where:
Base-Base interactions energy: -375.499
where: short stacking energy: -154.711
Base-Backbone interact. energy: -0.458
local terms energy: -180.016279
where:
bonds (distance) C4'-P energy: -26.712
bonds (distance) P-C4' energy: -39.642
flat angles C4'-P-C4' energy: -46.464
flat angles P-C4'-P energy: -21.956
tors. eta vs tors. theta energy: -45.243
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: 2
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -531.573183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.573183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.573183 (E_RNA)
where:
Base-Base interactions energy: -349.746
where: short stacking energy: -157.310
Base-Backbone interact. energy: -1.363
local terms energy: -180.464641
where:
bonds (distance) C4'-P energy: -32.569
bonds (distance) P-C4' energy: -34.052
flat angles C4'-P-C4' energy: -40.765
flat angles P-C4'-P energy: -26.791
tors. eta vs tors. theta energy: -46.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -236.104408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.104408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.104408 (E_RNA)
where:
Base-Base interactions energy: -95.506
where: short stacking energy: -53.910
Base-Backbone interact. energy: -0.309
local terms energy: -140.289253
where:
bonds (distance) C4'-P energy: -32.282
bonds (distance) P-C4' energy: -37.443
flat angles C4'-P-C4' energy: -33.444
flat angles P-C4'-P energy: -33.337
tors. eta vs tors. theta energy: -3.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -208.134687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.134687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.134687 (E_RNA)
where:
Base-Base interactions energy: -82.341
where: short stacking energy: -43.407
Base-Backbone interact. energy: 1.103
local terms energy: -126.896692
where:
bonds (distance) C4'-P energy: -37.869
bonds (distance) P-C4' energy: -37.821
flat angles C4'-P-C4' energy: -26.899
flat angles P-C4'-P energy: -25.521
tors. eta vs tors. theta energy: 1.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -167.573682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.573682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.573682 (E_RNA)
where:
Base-Base interactions energy: -56.617
where: short stacking energy: -42.312
Base-Backbone interact. energy: 0.888
local terms energy: -111.843910
where:
bonds (distance) C4'-P energy: -30.599
bonds (distance) P-C4' energy: -40.122
flat angles C4'-P-C4' energy: -23.275
flat angles P-C4'-P energy: -20.890
tors. eta vs tors. theta energy: 3.041
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: 3
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -687.593424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.593424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.593424 (E_RNA)
where:
Base-Base interactions energy: -461.769
where: short stacking energy: -197.286
Base-Backbone interact. energy: -1.187
local terms energy: -224.637821
where:
bonds (distance) C4'-P energy: -38.479
bonds (distance) P-C4' energy: -41.624
flat angles C4'-P-C4' energy: -45.922
flat angles P-C4'-P energy: -37.546
tors. eta vs tors. theta energy: -61.067
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: 452
Temperature: 0.950000
Total energy: -686.265029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.265029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.265029 (E_RNA)
where:
Base-Base interactions energy: -475.657
where: short stacking energy: -218.597
Base-Backbone interact. energy: 3.450
local terms energy: -214.058529
where:
bonds (distance) C4'-P energy: -39.523
bonds (distance) P-C4' energy: -32.649
flat angles C4'-P-C4' energy: -46.915
flat angles P-C4'-P energy: -34.423
tors. eta vs tors. theta energy: -60.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -605.084463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.084463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.084463 (E_RNA)
where:
Base-Base interactions energy: -396.334
where: short stacking energy: -192.755
Base-Backbone interact. energy: -0.019
local terms energy: -208.730943
where:
bonds (distance) C4'-P energy: -37.568
bonds (distance) P-C4' energy: -39.700
flat angles C4'-P-C4' energy: -36.571
flat angles P-C4'-P energy: -31.034
tors. eta vs tors. theta energy: -63.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -577.888069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.888069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.888069 (E_RNA)
where:
Base-Base interactions energy: -391.049
where: short stacking energy: -154.863
Base-Backbone interact. energy: 2.167
local terms energy: -189.005625
where:
bonds (distance) C4'-P energy: -36.116
bonds (distance) P-C4' energy: -36.556
flat angles C4'-P-C4' energy: -42.152
flat angles P-C4'-P energy: -25.745
tors. eta vs tors. theta energy: -48.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -577.479095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.479095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.479095 (E_RNA)
where:
Base-Base interactions energy: -391.427
where: short stacking energy: -150.873
Base-Backbone interact. energy: -1.285
local terms energy: -184.767304
where:
bonds (distance) C4'-P energy: -33.088
bonds (distance) P-C4' energy: -33.579
flat angles C4'-P-C4' energy: -39.802
flat angles P-C4'-P energy: -28.937
tors. eta vs tors. theta energy: -49.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -529.369625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.369625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.369625 (E_RNA)
where:
Base-Base interactions energy: -355.244
where: short stacking energy: -132.739
Base-Backbone interact. energy: -1.751
local terms energy: -172.374681
where:
bonds (distance) C4'-P energy: -34.491
bonds (distance) P-C4' energy: -36.287
flat angles C4'-P-C4' energy: -33.940
flat angles P-C4'-P energy: -28.696
tors. eta vs tors. theta energy: -38.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -542.451956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.451956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.451956 (E_RNA)
where:
Base-Base interactions energy: -347.677
where: short stacking energy: -162.930
Base-Backbone interact. energy: -1.047
local terms energy: -193.727133
where:
bonds (distance) C4'-P energy: -28.563
bonds (distance) P-C4' energy: -32.845
flat angles C4'-P-C4' energy: -41.735
flat angles P-C4'-P energy: -37.110
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: 8, replica: 6
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -244.110432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.110432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.110432 (E_RNA)
where:
Base-Base interactions energy: -104.208
where: short stacking energy: -68.547
Base-Backbone interact. energy: -1.141
local terms energy: -138.760922
where:
bonds (distance) C4'-P energy: -31.654
bonds (distance) P-C4' energy: -43.780
flat angles C4'-P-C4' energy: -33.838
flat angles P-C4'-P energy: -18.651
tors. eta vs tors. theta energy: -10.838
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: 10
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -191.442404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.442404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.442404 (E_RNA)
where:
Base-Base interactions energy: -85.071
where: short stacking energy: -74.917
Base-Backbone interact. energy: -0.916
local terms energy: -105.455270
where:
bonds (distance) C4'-P energy: -33.062
bonds (distance) P-C4' energy: -33.147
flat angles C4'-P-C4' energy: -22.767
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -4.263
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: 8
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -174.595720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.595720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.595720 (E_RNA)
where:
Base-Base interactions energy: -58.161
where: short stacking energy: -44.775
Base-Backbone interact. energy: -0.872
local terms energy: -115.562520
where:
bonds (distance) C4'-P energy: -32.572
bonds (distance) P-C4' energy: -37.712
flat angles C4'-P-C4' energy: -25.238
flat angles P-C4'-P energy: -27.515
tors. eta vs tors. theta energy: 7.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -695.057546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.057546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.057546 (E_RNA)
where:
Base-Base interactions energy: -466.238
where: short stacking energy: -200.276
Base-Backbone interact. energy: -1.635
local terms energy: -227.184927
where:
bonds (distance) C4'-P energy: -42.233
bonds (distance) P-C4' energy: -43.604
flat angles C4'-P-C4' energy: -43.257
flat angles P-C4'-P energy: -31.829
tors. eta vs tors. theta energy: -66.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -667.724772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.724772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.724772 (E_RNA)
where:
Base-Base interactions energy: -461.048
where: short stacking energy: -200.735
Base-Backbone interact. energy: -0.122
local terms energy: -206.555353
where:
bonds (distance) C4'-P energy: -33.398
bonds (distance) P-C4' energy: -42.226
flat angles C4'-P-C4' energy: -44.312
flat angles P-C4'-P energy: -32.993
tors. eta vs tors. theta energy: -53.626
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: 3, replica: 7
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -605.717668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.717668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.717668 (E_RNA)
where:
Base-Base interactions energy: -398.226
where: short stacking energy: -178.744
Base-Backbone interact. energy: -0.060
local terms energy: -207.431613
where:
bonds (distance) C4'-P energy: -36.189
bonds (distance) P-C4' energy: -43.667
flat angles C4'-P-C4' energy: -46.793
flat angles P-C4'-P energy: -25.078
tors. eta vs tors. theta energy: -55.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -597.277841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.277841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.277841 (E_RNA)
where:
Base-Base interactions energy: -394.081
where: short stacking energy: -150.158
Base-Backbone interact. energy: -0.416
local terms energy: -202.781126
where:
bonds (distance) C4'-P energy: -33.391
bonds (distance) P-C4' energy: -43.250
flat angles C4'-P-C4' energy: -41.355
flat angles P-C4'-P energy: -30.036
tors. eta vs tors. theta energy: -54.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -592.646735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.646735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.646735 (E_RNA)
where:
Base-Base interactions energy: -404.376
where: short stacking energy: -162.941
Base-Backbone interact. energy: -0.302
local terms energy: -187.968871
where:
bonds (distance) C4'-P energy: -33.021
bonds (distance) P-C4' energy: -39.788
flat angles C4'-P-C4' energy: -36.695
flat angles P-C4'-P energy: -27.307
tors. eta vs tors. theta energy: -51.158
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: 453
Temperature: 1.150000
Total energy: -517.526133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.526133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.526133 (E_RNA)
where:
Base-Base interactions energy: -332.950
where: short stacking energy: -153.543
Base-Backbone interact. energy: -0.264
local terms energy: -184.311547
where:
bonds (distance) C4'-P energy: -32.995
bonds (distance) P-C4' energy: -35.050
flat angles C4'-P-C4' energy: -34.121
flat angles P-C4'-P energy: -33.173
tors. eta vs tors. theta energy: -48.973
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: 7, replica: 5
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -497.516537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.516537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.516537 (E_RNA)
where:
Base-Base interactions energy: -334.162
where: short stacking energy: -141.211
Base-Backbone interact. energy: -1.251
local terms energy: -162.103530
where:
bonds (distance) C4'-P energy: -30.895
bonds (distance) P-C4' energy: -41.581
flat angles C4'-P-C4' energy: -34.981
flat angles P-C4'-P energy: -23.141
tors. eta vs tors. theta energy: -31.506
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: 8, replica: 6
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -227.061259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.061259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.061259 (E_RNA)
where:
Base-Base interactions energy: -99.382
where: short stacking energy: -52.314
Base-Backbone interact. energy: 0.245
local terms energy: -127.924582
where:
bonds (distance) C4'-P energy: -34.444
bonds (distance) P-C4' energy: -43.600
flat angles C4'-P-C4' energy: -29.345
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -8.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -177.320228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.320228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.320228 (E_RNA)
where:
Base-Base interactions energy: -65.868
where: short stacking energy: -47.358
Base-Backbone interact. energy: -1.744
local terms energy: -109.708178
where:
bonds (distance) C4'-P energy: -31.122
bonds (distance) P-C4' energy: -34.309
flat angles C4'-P-C4' energy: -32.192
flat angles P-C4'-P energy: -17.447
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: 10, replica: 8
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -179.810998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.810998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.810998 (E_RNA)
where:
Base-Base interactions energy: -69.224
where: short stacking energy: -52.882
Base-Backbone interact. energy: -1.147
local terms energy: -109.440501
where:
bonds (distance) C4'-P energy: -27.826
bonds (distance) P-C4' energy: -40.894
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -21.154
tors. eta vs tors. theta energy: -0.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -692.061276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.061276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.061276 (E_RNA)
where:
Base-Base interactions energy: -457.533
where: short stacking energy: -192.796
Base-Backbone interact. energy: -1.104
local terms energy: -233.423400
where:
bonds (distance) C4'-P energy: -42.074
bonds (distance) P-C4' energy: -46.014
flat angles C4'-P-C4' energy: -44.561
flat angles P-C4'-P energy: -34.041
tors. eta vs tors. theta energy: -66.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -669.003667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.003667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.003667 (E_RNA)
where:
Base-Base interactions energy: -465.085
where: short stacking energy: -205.787
Base-Backbone interact. energy: -0.498
local terms energy: -203.420949
where:
bonds (distance) C4'-P energy: -35.029
bonds (distance) P-C4' energy: -28.016
flat angles C4'-P-C4' energy: -40.738
flat angles P-C4'-P energy: -36.085
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: 3, replica: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -590.823286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.823286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.823286 (E_RNA)
where:
Base-Base interactions energy: -391.515
where: short stacking energy: -168.706
Base-Backbone interact. energy: -0.179
local terms energy: -199.129666
where:
bonds (distance) C4'-P energy: -35.104
bonds (distance) P-C4' energy: -41.000
flat angles C4'-P-C4' energy: -41.208
flat angles P-C4'-P energy: -28.518
tors. eta vs tors. theta energy: -53.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -593.492798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.492798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.492798 (E_RNA)
where:
Base-Base interactions energy: -394.304
where: short stacking energy: -168.339
Base-Backbone interact. energy: 0.275
local terms energy: -199.464037
where:
bonds (distance) C4'-P energy: -34.550
bonds (distance) P-C4' energy: -38.444
flat angles C4'-P-C4' energy: -37.166
flat angles P-C4'-P energy: -32.637
tors. eta vs tors. theta energy: -56.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -589.576528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.576528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.576528 (E_RNA)
where:
Base-Base interactions energy: -398.141
where: short stacking energy: -163.246
Base-Backbone interact. energy: -0.474
local terms energy: -190.961231
where:
bonds (distance) C4'-P energy: -36.491
bonds (distance) P-C4' energy: -36.421
flat angles C4'-P-C4' energy: -34.632
flat angles P-C4'-P energy: -26.421
tors. eta vs tors. theta energy: -56.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -524.867018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.867018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.867018 (E_RNA)
where:
Base-Base interactions energy: -347.771
where: short stacking energy: -163.172
Base-Backbone interact. energy: 0.773
local terms energy: -177.869124
where:
bonds (distance) C4'-P energy: -36.644
bonds (distance) P-C4' energy: -28.885
flat angles C4'-P-C4' energy: -37.511
flat angles P-C4'-P energy: -24.743
tors. eta vs tors. theta energy: -50.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -492.482986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.482986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.482986 (E_RNA)
where:
Base-Base interactions energy: -328.685
where: short stacking energy: -143.570
Base-Backbone interact. energy: -0.097
local terms energy: -163.701174
where:
bonds (distance) C4'-P energy: -31.954
bonds (distance) P-C4' energy: -39.718
flat angles C4'-P-C4' energy: -30.295
flat angles P-C4'-P energy: -18.782
tors. eta vs tors. theta energy: -42.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -193.122611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.122611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.122611 (E_RNA)
where:
Base-Base interactions energy: -77.175
where: short stacking energy: -50.776
Base-Backbone interact. energy: 1.492
local terms energy: -117.438748
where:
bonds (distance) C4'-P energy: -33.421
bonds (distance) P-C4' energy: -41.639
flat angles C4'-P-C4' energy: -27.716
flat angles P-C4'-P energy: -19.491
tors. eta vs tors. theta energy: 4.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -180.162098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.162098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.162098 (E_RNA)
where:
Base-Base interactions energy: -48.481
where: short stacking energy: -43.259
Base-Backbone interact. energy: 0.204
local terms energy: -131.885178
where:
bonds (distance) C4'-P energy: -35.822
bonds (distance) P-C4' energy: -38.502
flat angles C4'-P-C4' energy: -28.582
flat angles P-C4'-P energy: -24.747
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: 10, replica: 10
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -176.956665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.956665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.956665 (E_RNA)
where:
Base-Base interactions energy: -52.278
where: short stacking energy: -49.904
Base-Backbone interact. energy: 1.615
local terms energy: -126.293289
where:
bonds (distance) C4'-P energy: -34.887
bonds (distance) P-C4' energy: -42.249
flat angles C4'-P-C4' energy: -29.018
flat angles P-C4'-P energy: -24.235
tors. eta vs tors. theta energy: 4.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -704.230375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.230375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.230375 (E_RNA)
where:
Base-Base interactions energy: -467.097
where: short stacking energy: -202.134
Base-Backbone interact. energy: 0.414
local terms energy: -237.547469
where:
bonds (distance) C4'-P energy: -43.349
bonds (distance) P-C4' energy: -44.869
flat angles C4'-P-C4' energy: -47.926
flat angles P-C4'-P energy: -35.863
tors. eta vs tors. theta energy: -65.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -665.744408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.744408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.744408 (E_RNA)
where:
Base-Base interactions energy: -461.529
where: short stacking energy: -203.322
Base-Backbone interact. energy: -0.101
local terms energy: -204.115029
where:
bonds (distance) C4'-P energy: -30.674
bonds (distance) P-C4' energy: -43.823
flat angles C4'-P-C4' energy: -39.547
flat angles P-C4'-P energy: -33.660
tors. eta vs tors. theta energy: -56.412
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: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -609.198130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.198130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.198130 (E_RNA)
where:
Base-Base interactions energy: -395.515
where: short stacking energy: -186.225
Base-Backbone interact. energy: -0.332
local terms energy: -213.351399
where:
bonds (distance) C4'-P energy: -39.883
bonds (distance) P-C4' energy: -32.909
flat angles C4'-P-C4' energy: -47.292
flat angles P-C4'-P energy: -31.549
tors. eta vs tors. theta energy: -61.718
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: 4
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -602.911891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.911891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.911891 (E_RNA)
where:
Base-Base interactions energy: -392.492
where: short stacking energy: -181.253
Base-Backbone interact. energy: -0.076
local terms energy: -210.344024
where:
bonds (distance) C4'-P energy: -38.083
bonds (distance) P-C4' energy: -37.992
flat angles C4'-P-C4' energy: -43.768
flat angles P-C4'-P energy: -31.348
tors. eta vs tors. theta energy: -59.153
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: 5, replica: 9
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -578.482542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.482542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.482542 (E_RNA)
where:
Base-Base interactions energy: -375.745
where: short stacking energy: -171.184
Base-Backbone interact. energy: -0.559
local terms energy: -202.178157
where:
bonds (distance) C4'-P energy: -36.169
bonds (distance) P-C4' energy: -37.565
flat angles C4'-P-C4' energy: -42.244
flat angles P-C4'-P energy: -28.951
tors. eta vs tors. theta energy: -57.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -540.941533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.941533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.941533 (E_RNA)
where:
Base-Base interactions energy: -354.247
where: short stacking energy: -159.286
Base-Backbone interact. energy: -1.507
local terms energy: -185.187573
where:
bonds (distance) C4'-P energy: -36.136
bonds (distance) P-C4' energy: -35.302
flat angles C4'-P-C4' energy: -37.994
flat angles P-C4'-P energy: -31.438
tors. eta vs tors. theta energy: -44.318
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: 5
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -525.986387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.986387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.986387 (E_RNA)
where:
Base-Base interactions energy: -348.171
where: short stacking energy: -149.232
Base-Backbone interact. energy: 0.416
local terms energy: -178.230909
where:
bonds (distance) C4'-P energy: -30.295
bonds (distance) P-C4' energy: -34.663
flat angles C4'-P-C4' energy: -38.117
flat angles P-C4'-P energy: -33.360
tors. eta vs tors. theta energy: -41.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -198.067211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.067211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.067211 (E_RNA)
where:
Base-Base interactions energy: -82.872
where: short stacking energy: -46.622
Base-Backbone interact. energy: -0.735
local terms energy: -114.460760
where:
bonds (distance) C4'-P energy: -31.546
bonds (distance) P-C4' energy: -32.634
flat angles C4'-P-C4' energy: -25.180
flat angles P-C4'-P energy: -20.158
tors. eta vs tors. theta energy: -4.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -188.154519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.154519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.154519 (E_RNA)
where:
Base-Base interactions energy: -79.032
where: short stacking energy: -59.343
Base-Backbone interact. energy: 0.967
local terms energy: -110.089020
where:
bonds (distance) C4'-P energy: -31.511
bonds (distance) P-C4' energy: -38.360
flat angles C4'-P-C4' energy: -38.535
flat angles P-C4'-P energy: -4.652
tors. eta vs tors. theta energy: 2.968
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: 10
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -173.278691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.278691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.278691 (E_RNA)
where:
Base-Base interactions energy: -53.035
where: short stacking energy: -42.188
Base-Backbone interact. energy: -0.742
local terms energy: -119.502034
where:
bonds (distance) C4'-P energy: -33.927
bonds (distance) P-C4' energy: -35.595
flat angles C4'-P-C4' energy: -29.015
flat angles P-C4'-P energy: -23.838
tors. eta vs tors. theta energy: 2.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -683.950428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.950428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.950428 (E_RNA)
where:
Base-Base interactions energy: -465.230
where: short stacking energy: -192.711
Base-Backbone interact. energy: -1.953
local terms energy: -216.768120
where:
bonds (distance) C4'-P energy: -43.456
bonds (distance) P-C4' energy: -41.063
flat angles C4'-P-C4' energy: -44.355
flat angles P-C4'-P energy: -31.501
tors. eta vs tors. theta energy: -56.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -672.823884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.823884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.823884 (E_RNA)
where:
Base-Base interactions energy: -465.230
where: short stacking energy: -183.701
Base-Backbone interact. energy: -0.489
local terms energy: -207.105089
where:
bonds (distance) C4'-P energy: -35.013
bonds (distance) P-C4' energy: -41.763
flat angles C4'-P-C4' energy: -36.864
flat angles P-C4'-P energy: -33.248
tors. eta vs tors. theta energy: -60.216
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: 7
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -613.326257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.326257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.326257 (E_RNA)
where:
Base-Base interactions energy: -407.816
where: short stacking energy: -183.718
Base-Backbone interact. energy: 0.805
local terms energy: -206.314697
where:
bonds (distance) C4'-P energy: -38.666
bonds (distance) P-C4' energy: -37.205
flat angles C4'-P-C4' energy: -42.864
flat angles P-C4'-P energy: -30.553
tors. eta vs tors. theta energy: -57.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -584.824573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.824573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.824573 (E_RNA)
where:
Base-Base interactions energy: -382.867
where: short stacking energy: -162.429
Base-Backbone interact. energy: -0.076
local terms energy: -201.881966
where:
bonds (distance) C4'-P energy: -39.299
bonds (distance) P-C4' energy: -33.094
flat angles C4'-P-C4' energy: -42.956
flat angles P-C4'-P energy: -30.107
tors. eta vs tors. theta energy: -56.426
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: 5, replica: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -591.412794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.412794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.412794 (E_RNA)
where:
Base-Base interactions energy: -393.032
where: short stacking energy: -160.570
Base-Backbone interact. energy: -0.411
local terms energy: -197.969522
where:
bonds (distance) C4'-P energy: -40.793
bonds (distance) P-C4' energy: -39.690
flat angles C4'-P-C4' energy: -47.721
flat angles P-C4'-P energy: -20.766
tors. eta vs tors. theta energy: -49.001
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: 456
Temperature: 1.150000
Total energy: -529.331285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.331285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.331285 (E_RNA)
where:
Base-Base interactions energy: -340.801
where: short stacking energy: -155.128
Base-Backbone interact. energy: -0.178
local terms energy: -188.352378
where:
bonds (distance) C4'-P energy: -39.715
bonds (distance) P-C4' energy: -38.116
flat angles C4'-P-C4' energy: -37.494
flat angles P-C4'-P energy: -27.425
tors. eta vs tors. theta energy: -45.603
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: 5
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -576.774711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.774711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.774711 (E_RNA)
where:
Base-Base interactions energy: -396.138
where: short stacking energy: -159.533
Base-Backbone interact. energy: -1.005
local terms energy: -179.631724
where:
bonds (distance) C4'-P energy: -35.994
bonds (distance) P-C4' energy: -35.760
flat angles C4'-P-C4' energy: -40.081
flat angles P-C4'-P energy: -22.976
tors. eta vs tors. theta energy: -44.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -193.564909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.564909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.564909 (E_RNA)
where:
Base-Base interactions energy: -66.878
where: short stacking energy: -58.795
Base-Backbone interact. energy: -0.229
local terms energy: -126.457395
where:
bonds (distance) C4'-P energy: -37.132
bonds (distance) P-C4' energy: -37.964
flat angles C4'-P-C4' energy: -31.333
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: -6.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -180.885958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.885958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.885958 (E_RNA)
where:
Base-Base interactions energy: -65.304
where: short stacking energy: -49.468
Base-Backbone interact. energy: -0.109
local terms energy: -115.473474
where:
bonds (distance) C4'-P energy: -38.799
bonds (distance) P-C4' energy: -41.264
flat angles C4'-P-C4' energy: -26.966
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: 4.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -171.183808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.183808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.183808 (E_RNA)
where:
Base-Base interactions energy: -73.030
where: short stacking energy: -41.293
Base-Backbone interact. energy: -0.641
local terms energy: -97.512656
where:
bonds (distance) C4'-P energy: -20.719
bonds (distance) P-C4' energy: -29.913
flat angles C4'-P-C4' energy: -35.570
flat angles P-C4'-P energy: -19.909
tors. eta vs tors. theta energy: 8.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -675.017586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.017586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.017586 (E_RNA)
where:
Base-Base interactions energy: -466.995
where: short stacking energy: -199.254
Base-Backbone interact. energy: -0.663
local terms energy: -207.359299
where:
bonds (distance) C4'-P energy: -36.506
bonds (distance) P-C4' energy: -38.980
flat angles C4'-P-C4' energy: -42.651
flat angles P-C4'-P energy: -33.701
tors. eta vs tors. theta energy: -55.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -668.925325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.925325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.925325 (E_RNA)
where:
Base-Base interactions energy: -453.073
where: short stacking energy: -199.530
Base-Backbone interact. energy: -0.169
local terms energy: -215.683136
where:
bonds (distance) C4'-P energy: -37.297
bonds (distance) P-C4' energy: -39.125
flat angles C4'-P-C4' energy: -46.792
flat angles P-C4'-P energy: -28.364
tors. eta vs tors. theta energy: -64.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -619.875730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.875730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.875730 (E_RNA)
where:
Base-Base interactions energy: -412.804
where: short stacking energy: -190.059
Base-Backbone interact. energy: -0.202
local terms energy: -206.869361
where:
bonds (distance) C4'-P energy: -38.170
bonds (distance) P-C4' energy: -42.484
flat angles C4'-P-C4' energy: -40.202
flat angles P-C4'-P energy: -24.350
tors. eta vs tors. theta energy: -61.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -577.996012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.996012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.996012 (E_RNA)
where:
Base-Base interactions energy: -389.881
where: short stacking energy: -156.317
Base-Backbone interact. energy: -0.097
local terms energy: -188.017745
where:
bonds (distance) C4'-P energy: -33.901
bonds (distance) P-C4' energy: -41.803
flat angles C4'-P-C4' energy: -36.957
flat angles P-C4'-P energy: -30.516
tors. eta vs tors. theta energy: -44.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -584.737506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.737506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.737506 (E_RNA)
where:
Base-Base interactions energy: -396.409
where: short stacking energy: -171.496
Base-Backbone interact. energy: -0.370
local terms energy: -187.959294
where:
bonds (distance) C4'-P energy: -33.711
bonds (distance) P-C4' energy: -34.012
flat angles C4'-P-C4' energy: -41.109
flat angles P-C4'-P energy: -29.285
tors. eta vs tors. theta energy: -49.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -559.215694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.215694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.215694 (E_RNA)
where:
Base-Base interactions energy: -369.514
where: short stacking energy: -158.155
Base-Backbone interact. energy: -1.443
local terms energy: -188.259007
where:
bonds (distance) C4'-P energy: -41.480
bonds (distance) P-C4' energy: -34.614
flat angles C4'-P-C4' energy: -43.492
flat angles P-C4'-P energy: -20.344
tors. eta vs tors. theta energy: -48.329
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: 2
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -520.010264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.010264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.010264 (E_RNA)
where:
Base-Base interactions energy: -335.011
where: short stacking energy: -164.099
Base-Backbone interact. energy: -1.066
local terms energy: -183.933719
where:
bonds (distance) C4'-P energy: -36.242
bonds (distance) P-C4' energy: -36.840
flat angles C4'-P-C4' energy: -42.542
flat angles P-C4'-P energy: -20.022
tors. eta vs tors. theta energy: -48.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -203.986711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.986711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.986711 (E_RNA)
where:
Base-Base interactions energy: -82.892
where: short stacking energy: -55.611
Base-Backbone interact. energy: -0.771
local terms energy: -120.323577
where:
bonds (distance) C4'-P energy: -28.886
bonds (distance) P-C4' energy: -29.379
flat angles C4'-P-C4' energy: -37.935
flat angles P-C4'-P energy: -20.023
tors. eta vs tors. theta energy: -4.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -191.236421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.236421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.236421 (E_RNA)
where:
Base-Base interactions energy: -64.293
where: short stacking energy: -53.415
Base-Backbone interact. energy: -0.570
local terms energy: -126.373153
where:
bonds (distance) C4'-P energy: -31.642
bonds (distance) P-C4' energy: -37.290
flat angles C4'-P-C4' energy: -36.890
flat angles P-C4'-P energy: -17.115
tors. eta vs tors. theta energy: -3.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -168.629928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.629928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.629928 (E_RNA)
where:
Base-Base interactions energy: -53.478
where: short stacking energy: -52.748
Base-Backbone interact. energy: -0.125
local terms energy: -115.027096
where:
bonds (distance) C4'-P energy: -33.476
bonds (distance) P-C4' energy: -34.261
flat angles C4'-P-C4' energy: -29.463
flat angles P-C4'-P energy: -24.623
tors. eta vs tors. theta energy: 6.795
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: 3
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -680.278327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.278327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.278327 (E_RNA)
where:
Base-Base interactions energy: -468.104
where: short stacking energy: -187.676
Base-Backbone interact. energy: -0.639
local terms energy: -211.535259
where:
bonds (distance) C4'-P energy: -34.704
bonds (distance) P-C4' energy: -40.553
flat angles C4'-P-C4' energy: -45.780
flat angles P-C4'-P energy: -30.423
tors. eta vs tors. theta energy: -60.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -669.144314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.144314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.144314 (E_RNA)
where:
Base-Base interactions energy: -467.183
where: short stacking energy: -190.448
Base-Backbone interact. energy: 1.837
local terms energy: -203.798504
where:
bonds (distance) C4'-P energy: -38.519
bonds (distance) P-C4' energy: -41.480
flat angles C4'-P-C4' energy: -39.181
flat angles P-C4'-P energy: -27.287
tors. eta vs tors. theta energy: -57.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -606.577541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.577541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.577541 (E_RNA)
where:
Base-Base interactions energy: -397.295
where: short stacking energy: -193.641
Base-Backbone interact. energy: -0.612
local terms energy: -208.670373
where:
bonds (distance) C4'-P energy: -36.997
bonds (distance) P-C4' energy: -28.336
flat angles C4'-P-C4' energy: -45.946
flat angles P-C4'-P energy: -31.432
tors. eta vs tors. theta energy: -65.960
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: 4
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -582.709471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.709471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.709471 (E_RNA)
where:
Base-Base interactions energy: -392.446
where: short stacking energy: -167.671
Base-Backbone interact. energy: 0.507
local terms energy: -190.770816
where:
bonds (distance) C4'-P energy: -32.256
bonds (distance) P-C4' energy: -41.927
flat angles C4'-P-C4' energy: -38.364
flat angles P-C4'-P energy: -30.086
tors. eta vs tors. theta energy: -48.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -577.943278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.943278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.943278 (E_RNA)
where:
Base-Base interactions energy: -399.388
where: short stacking energy: -160.033
Base-Backbone interact. energy: -0.517
local terms energy: -178.038164
where:
bonds (distance) C4'-P energy: -29.610
bonds (distance) P-C4' energy: -42.060
flat angles C4'-P-C4' energy: -38.749
flat angles P-C4'-P energy: -21.625
tors. eta vs tors. theta energy: -45.994
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: 5
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -565.524013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.524013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.524013 (E_RNA)
where:
Base-Base interactions energy: -391.088
where: short stacking energy: -165.091
Base-Backbone interact. energy: -0.667
local terms energy: -173.769367
where:
bonds (distance) C4'-P energy: -28.322
bonds (distance) P-C4' energy: -41.165
flat angles C4'-P-C4' energy: -32.271
flat angles P-C4'-P energy: -20.797
tors. eta vs tors. theta energy: -51.214
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: 2
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -518.384914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.384914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.384914 (E_RNA)
where:
Base-Base interactions energy: -340.680
where: short stacking energy: -153.859
Base-Backbone interact. energy: -0.251
local terms energy: -177.453910
where:
bonds (distance) C4'-P energy: -34.985
bonds (distance) P-C4' energy: -33.771
flat angles C4'-P-C4' energy: -40.285
flat angles P-C4'-P energy: -24.133
tors. eta vs tors. theta energy: -44.279
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: 458
Temperature: 1.250000
Total energy: -200.180797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.180797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.180797 (E_RNA)
where:
Base-Base interactions energy: -81.817
where: short stacking energy: -45.093
Base-Backbone interact. energy: -0.964
local terms energy: -117.400167
where:
bonds (distance) C4'-P energy: -46.418
bonds (distance) P-C4' energy: -31.423
flat angles C4'-P-C4' energy: -30.274
flat angles P-C4'-P energy: -19.948
tors. eta vs tors. theta energy: 10.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -182.979116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.979116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.979116 (E_RNA)
where:
Base-Base interactions energy: -67.857
where: short stacking energy: -59.297
Base-Backbone interact. energy: 1.686
local terms energy: -116.807926
where:
bonds (distance) C4'-P energy: -31.520
bonds (distance) P-C4' energy: -35.478
flat angles C4'-P-C4' energy: -27.211
flat angles P-C4'-P energy: -23.457
tors. eta vs tors. theta energy: 0.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -184.784503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.784503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.784503 (E_RNA)
where:
Base-Base interactions energy: -63.497
where: short stacking energy: -46.494
Base-Backbone interact. energy: -0.747
local terms energy: -120.540324
where:
bonds (distance) C4'-P energy: -38.331
bonds (distance) P-C4' energy: -33.489
flat angles C4'-P-C4' energy: -30.403
flat angles P-C4'-P energy: -13.993
tors. eta vs tors. theta energy: -4.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -691.582807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.582807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.582807 (E_RNA)
where:
Base-Base interactions energy: -471.758
where: short stacking energy: -196.389
Base-Backbone interact. energy: -2.026
local terms energy: -217.798765
where:
bonds (distance) C4'-P energy: -36.665
bonds (distance) P-C4' energy: -44.636
flat angles C4'-P-C4' energy: -38.969
flat angles P-C4'-P energy: -31.851
tors. eta vs tors. theta energy: -65.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -662.842171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.842171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.842171 (E_RNA)
where:
Base-Base interactions energy: -452.730
where: short stacking energy: -193.227
Base-Backbone interact. energy: 0.392
local terms energy: -210.504092
where:
bonds (distance) C4'-P energy: -38.404
bonds (distance) P-C4' energy: -41.351
flat angles C4'-P-C4' energy: -44.125
flat angles P-C4'-P energy: -30.104
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: 3, replica: 7
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -600.525643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.525643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.525643 (E_RNA)
where:
Base-Base interactions energy: -386.137
where: short stacking energy: -182.016
Base-Backbone interact. energy: -0.042
local terms energy: -214.346199
where:
bonds (distance) C4'-P energy: -40.448
bonds (distance) P-C4' energy: -41.968
flat angles C4'-P-C4' energy: -40.172
flat angles P-C4'-P energy: -35.248
tors. eta vs tors. theta energy: -56.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -572.310781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.310781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.310781 (E_RNA)
where:
Base-Base interactions energy: -396.925
where: short stacking energy: -158.948
Base-Backbone interact. energy: 0.738
local terms energy: -176.124026
where:
bonds (distance) C4'-P energy: -28.829
bonds (distance) P-C4' energy: -38.705
flat angles C4'-P-C4' energy: -39.115
flat angles P-C4'-P energy: -22.026
tors. eta vs tors. theta energy: -47.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -595.024821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.024821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.024821 (E_RNA)
where:
Base-Base interactions energy: -402.238
where: short stacking energy: -175.121
Base-Backbone interact. energy: -0.903
local terms energy: -191.884449
where:
bonds (distance) C4'-P energy: -42.106
bonds (distance) P-C4' energy: -36.043
flat angles C4'-P-C4' energy: -38.549
flat angles P-C4'-P energy: -23.711
tors. eta vs tors. theta energy: -51.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -557.284102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.284102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.284102 (E_RNA)
where:
Base-Base interactions energy: -373.034
where: short stacking energy: -155.671
Base-Backbone interact. energy: -0.983
local terms energy: -183.266520
where:
bonds (distance) C4'-P energy: -25.691
bonds (distance) P-C4' energy: -42.893
flat angles C4'-P-C4' energy: -42.849
flat angles P-C4'-P energy: -24.706
tors. eta vs tors. theta energy: -47.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -519.702835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.702835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.702835 (E_RNA)
where:
Base-Base interactions energy: -331.237
where: short stacking energy: -159.252
Base-Backbone interact. energy: -0.378
local terms energy: -188.087565
where:
bonds (distance) C4'-P energy: -30.792
bonds (distance) P-C4' energy: -37.113
flat angles C4'-P-C4' energy: -44.717
flat angles P-C4'-P energy: -21.786
tors. eta vs tors. theta energy: -53.680
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: 10
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -214.239948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.239948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.239948 (E_RNA)
where:
Base-Base interactions energy: -90.230
where: short stacking energy: -64.247
Base-Backbone interact. energy: -0.288
local terms energy: -123.722073
where:
bonds (distance) C4'-P energy: -31.241
bonds (distance) P-C4' energy: -40.471
flat angles C4'-P-C4' energy: -29.888
flat angles P-C4'-P energy: -23.077
tors. eta vs tors. theta energy: 0.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -195.079257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.079257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.079257 (E_RNA)
where:
Base-Base interactions energy: -79.715
where: short stacking energy: -67.991
Base-Backbone interact. energy: -0.570
local terms energy: -114.794375
where:
bonds (distance) C4'-P energy: -21.176
bonds (distance) P-C4' energy: -34.566
flat angles C4'-P-C4' energy: -28.790
flat angles P-C4'-P energy: -24.456
tors. eta vs tors. theta energy: -5.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -167.687382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.687382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.687382 (E_RNA)
where:
Base-Base interactions energy: -69.041
where: short stacking energy: -58.654
Base-Backbone interact. energy: -1.693
local terms energy: -96.952946
where:
bonds (distance) C4'-P energy: -25.943
bonds (distance) P-C4' energy: -31.883
flat angles C4'-P-C4' energy: -18.926
flat angles P-C4'-P energy: -19.517
tors. eta vs tors. theta energy: -0.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -685.271382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.271382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.271382 (E_RNA)
where:
Base-Base interactions energy: -484.994
where: short stacking energy: -204.841
Base-Backbone interact. energy: -0.552
local terms energy: -199.725492
where:
bonds (distance) C4'-P energy: -30.838
bonds (distance) P-C4' energy: -38.429
flat angles C4'-P-C4' energy: -39.192
flat angles P-C4'-P energy: -30.528
tors. eta vs tors. theta energy: -60.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -673.075191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.075191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.075191 (E_RNA)
where:
Base-Base interactions energy: -456.439
where: short stacking energy: -188.941
Base-Backbone interact. energy: 1.223
local terms energy: -217.859533
where:
bonds (distance) C4'-P energy: -43.727
bonds (distance) P-C4' energy: -38.269
flat angles C4'-P-C4' energy: -44.769
flat angles P-C4'-P energy: -31.003
tors. eta vs tors. theta energy: -60.092
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: 3, replica: 7
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -610.650187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.650187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.650187 (E_RNA)
where:
Base-Base interactions energy: -397.462
where: short stacking energy: -185.920
Base-Backbone interact. energy: -0.098
local terms energy: -213.090142
where:
bonds (distance) C4'-P energy: -28.281
bonds (distance) P-C4' energy: -44.056
flat angles C4'-P-C4' energy: -48.995
flat angles P-C4'-P energy: -29.903
tors. eta vs tors. theta energy: -61.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -592.307468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.307468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.307468 (E_RNA)
where:
Base-Base interactions energy: -394.518
where: short stacking energy: -160.210
Base-Backbone interact. energy: 1.176
local terms energy: -198.966006
where:
bonds (distance) C4'-P energy: -38.592
bonds (distance) P-C4' energy: -37.601
flat angles C4'-P-C4' energy: -48.176
flat angles P-C4'-P energy: -21.855
tors. eta vs tors. theta energy: -52.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -595.703926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.703926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.703926 (E_RNA)
where:
Base-Base interactions energy: -415.339
where: short stacking energy: -170.698
Base-Backbone interact. energy: 0.193
local terms energy: -180.557567
where:
bonds (distance) C4'-P energy: -36.938
bonds (distance) P-C4' energy: -39.995
flat angles C4'-P-C4' energy: -34.974
flat angles P-C4'-P energy: -17.513
tors. eta vs tors. theta energy: -51.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -552.019992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.019992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.019992 (E_RNA)
where:
Base-Base interactions energy: -375.010
where: short stacking energy: -166.843
Base-Backbone interact. energy: 0.425
local terms energy: -177.434871
where:
bonds (distance) C4'-P energy: -27.041
bonds (distance) P-C4' energy: -34.585
flat angles C4'-P-C4' energy: -44.228
flat angles P-C4'-P energy: -25.559
tors. eta vs tors. theta energy: -46.022
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: 2
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -514.738445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.738445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.738445 (E_RNA)
where:
Base-Base interactions energy: -333.217
where: short stacking energy: -154.170
Base-Backbone interact. energy: -0.197
local terms energy: -181.323783
where:
bonds (distance) C4'-P energy: -37.169
bonds (distance) P-C4' energy: -40.754
flat angles C4'-P-C4' energy: -32.575
flat angles P-C4'-P energy: -28.152
tors. eta vs tors. theta energy: -42.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -209.171465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.171465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.171465 (E_RNA)
where:
Base-Base interactions energy: -75.259
where: short stacking energy: -50.887
Base-Backbone interact. energy: -0.471
local terms energy: -133.441709
where:
bonds (distance) C4'-P energy: -42.257
bonds (distance) P-C4' energy: -40.518
flat angles C4'-P-C4' energy: -28.378
flat angles P-C4'-P energy: -17.560
tors. eta vs tors. theta energy: -4.730
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: 6
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -184.407567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.407567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.407567 (E_RNA)
where:
Base-Base interactions energy: -46.638
where: short stacking energy: -42.697
Base-Backbone interact. energy: -2.104
local terms energy: -135.665429
where:
bonds (distance) C4'-P energy: -35.780
bonds (distance) P-C4' energy: -42.253
flat angles C4'-P-C4' energy: -30.204
flat angles P-C4'-P energy: -24.892
tors. eta vs tors. theta energy: -2.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -163.894239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.894239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.894239 (E_RNA)
where:
Base-Base interactions energy: -47.734
where: short stacking energy: -44.744
Base-Backbone interact. energy: 0.170
local terms energy: -116.330040
where:
bonds (distance) C4'-P energy: -33.894
bonds (distance) P-C4' energy: -35.086
flat angles C4'-P-C4' energy: -29.450
flat angles P-C4'-P energy: -24.981
tors. eta vs tors. theta energy: 7.081
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: 1
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -691.859421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.859421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.859421 (E_RNA)
where:
Base-Base interactions energy: -472.013
where: short stacking energy: -191.675
Base-Backbone interact. energy: 0.003
local terms energy: -219.848807
where:
bonds (distance) C4'-P energy: -37.891
bonds (distance) P-C4' energy: -40.650
flat angles C4'-P-C4' energy: -49.031
flat angles P-C4'-P energy: -31.931
tors. eta vs tors. theta energy: -60.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -665.799042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.799042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.799042 (E_RNA)
where:
Base-Base interactions energy: -445.654
where: short stacking energy: -188.764
Base-Backbone interact. energy: 0.921
local terms energy: -221.066179
where:
bonds (distance) C4'-P energy: -38.392
bonds (distance) P-C4' energy: -34.326
flat angles C4'-P-C4' energy: -48.536
flat angles P-C4'-P energy: -36.506
tors. eta vs tors. theta energy: -63.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -596.332899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.332899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.332899 (E_RNA)
where:
Base-Base interactions energy: -400.220
where: short stacking energy: -191.437
Base-Backbone interact. energy: -0.239
local terms energy: -195.873295
where:
bonds (distance) C4'-P energy: -28.609
bonds (distance) P-C4' energy: -39.376
flat angles C4'-P-C4' energy: -36.720
flat angles P-C4'-P energy: -29.807
tors. eta vs tors. theta energy: -61.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -588.938812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.938812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.938812 (E_RNA)
where:
Base-Base interactions energy: -382.990
where: short stacking energy: -148.972
Base-Backbone interact. energy: -0.831
local terms energy: -205.117750
where:
bonds (distance) C4'-P energy: -37.525
bonds (distance) P-C4' energy: -40.099
flat angles C4'-P-C4' energy: -44.163
flat angles P-C4'-P energy: -32.620
tors. eta vs tors. theta energy: -50.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -567.782965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.782965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.782965 (E_RNA)
where:
Base-Base interactions energy: -375.261
where: short stacking energy: -166.552
Base-Backbone interact. energy: -0.520
local terms energy: -192.001739
where:
bonds (distance) C4'-P energy: -42.629
bonds (distance) P-C4' energy: -32.539
flat angles C4'-P-C4' energy: -38.805
flat angles P-C4'-P energy: -28.856
tors. eta vs tors. theta energy: -49.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -540.944447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.944447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.944447 (E_RNA)
where:
Base-Base interactions energy: -342.007
where: short stacking energy: -164.453
Base-Backbone interact. energy: -0.686
local terms energy: -198.251449
where:
bonds (distance) C4'-P energy: -37.396
bonds (distance) P-C4' energy: -35.078
flat angles C4'-P-C4' energy: -40.789
flat angles P-C4'-P energy: -27.318
tors. eta vs tors. theta energy: -57.670
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: 7, replica: 9
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -515.424459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.424459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.424459 (E_RNA)
where:
Base-Base interactions energy: -351.963
where: short stacking energy: -161.997
Base-Backbone interact. energy: 0.545
local terms energy: -164.006909
where:
bonds (distance) C4'-P energy: -30.531
bonds (distance) P-C4' energy: -36.931
flat angles C4'-P-C4' energy: -25.260
flat angles P-C4'-P energy: -23.048
tors. eta vs tors. theta energy: -48.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -193.880559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.880559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.880559 (E_RNA)
where:
Base-Base interactions energy: -67.967
where: short stacking energy: -55.526
Base-Backbone interact. energy: -0.320
local terms energy: -125.593322
where:
bonds (distance) C4'-P energy: -38.821
bonds (distance) P-C4' energy: -36.179
flat angles C4'-P-C4' energy: -25.817
flat angles P-C4'-P energy: -20.487
tors. eta vs tors. theta energy: -4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -204.460971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.460971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.460971 (E_RNA)
where:
Base-Base interactions energy: -100.549
where: short stacking energy: -61.450
Base-Backbone interact. energy: 0.209
local terms energy: -104.121322
where:
bonds (distance) C4'-P energy: -22.461
bonds (distance) P-C4' energy: -41.249
flat angles C4'-P-C4' energy: -32.894
flat angles P-C4'-P energy: -5.750
tors. eta vs tors. theta energy: -1.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -167.647207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.647207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.647207 (E_RNA)
where:
Base-Base interactions energy: -63.866
where: short stacking energy: -54.953
Base-Backbone interact. energy: 0.022
local terms energy: -103.803051
where:
bonds (distance) C4'-P energy: -25.415
bonds (distance) P-C4' energy: -37.198
flat angles C4'-P-C4' energy: -26.336
flat angles P-C4'-P energy: -22.243
tors. eta vs tors. theta energy: 7.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -691.364014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.364014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.364014 (E_RNA)
where:
Base-Base interactions energy: -463.198
where: short stacking energy: -211.919
Base-Backbone interact. energy: -0.715
local terms energy: -227.451127
where:
bonds (distance) C4'-P energy: -42.981
bonds (distance) P-C4' energy: -42.903
flat angles C4'-P-C4' energy: -46.270
flat angles P-C4'-P energy: -32.292
tors. eta vs tors. theta energy: -63.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -689.157786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.157786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.157786 (E_RNA)
where:
Base-Base interactions energy: -466.738
where: short stacking energy: -192.038
Base-Backbone interact. energy: -0.258
local terms energy: -222.161222
where:
bonds (distance) C4'-P energy: -38.327
bonds (distance) P-C4' energy: -39.100
flat angles C4'-P-C4' energy: -45.622
flat angles P-C4'-P energy: -37.836
tors. eta vs tors. theta energy: -61.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -602.468863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.468863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.468863 (E_RNA)
where:
Base-Base interactions energy: -408.280
where: short stacking energy: -164.464
Base-Backbone interact. energy: -1.336
local terms energy: -192.852664
where:
bonds (distance) C4'-P energy: -31.474
bonds (distance) P-C4' energy: -46.124
flat angles C4'-P-C4' energy: -41.008
flat angles P-C4'-P energy: -15.163
tors. eta vs tors. theta energy: -59.085
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: 7
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -600.176111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.176111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.176111 (E_RNA)
where:
Base-Base interactions energy: -399.555
where: short stacking energy: -167.045
Base-Backbone interact. energy: 0.653
local terms energy: -201.274756
where:
bonds (distance) C4'-P energy: -31.100
bonds (distance) P-C4' energy: -40.776
flat angles C4'-P-C4' energy: -37.996
flat angles P-C4'-P energy: -36.700
tors. eta vs tors. theta energy: -54.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -555.613236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.613236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.613236 (E_RNA)
where:
Base-Base interactions energy: -371.770
where: short stacking energy: -180.146
Base-Backbone interact. energy: -0.490
local terms energy: -183.353685
where:
bonds (distance) C4'-P energy: -21.748
bonds (distance) P-C4' energy: -35.375
flat angles C4'-P-C4' energy: -44.803
flat angles P-C4'-P energy: -26.716
tors. eta vs tors. theta energy: -54.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -554.615909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.615909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.615909 (E_RNA)
where:
Base-Base interactions energy: -362.711
where: short stacking energy: -149.612
Base-Backbone interact. energy: 0.133
local terms energy: -192.037098
where:
bonds (distance) C4'-P energy: -43.011
bonds (distance) P-C4' energy: -41.597
flat angles C4'-P-C4' energy: -42.021
flat angles P-C4'-P energy: -24.690
tors. eta vs tors. theta energy: -40.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -506.278928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.278928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.278928 (E_RNA)
where:
Base-Base interactions energy: -336.438
where: short stacking energy: -140.951
Base-Backbone interact. energy: -0.240
local terms energy: -169.600533
where:
bonds (distance) C4'-P energy: -34.630
bonds (distance) P-C4' energy: -37.962
flat angles C4'-P-C4' energy: -34.311
flat angles P-C4'-P energy: -18.315
tors. eta vs tors. theta energy: -44.382
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: 6
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -199.337407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.337407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.337407 (E_RNA)
where:
Base-Base interactions energy: -74.271
where: short stacking energy: -67.718
Base-Backbone interact. energy: 3.406
local terms energy: -128.471960
where:
bonds (distance) C4'-P energy: -32.493
bonds (distance) P-C4' energy: -31.347
flat angles C4'-P-C4' energy: -31.517
flat angles P-C4'-P energy: -22.434
tors. eta vs tors. theta energy: -10.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -227.345481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.345481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.345481 (E_RNA)
where:
Base-Base interactions energy: -106.210
where: short stacking energy: -63.275
Base-Backbone interact. energy: 1.550
local terms energy: -122.685089
where:
bonds (distance) C4'-P energy: -29.074
bonds (distance) P-C4' energy: -33.010
flat angles C4'-P-C4' energy: -39.797
flat angles P-C4'-P energy: -17.063
tors. eta vs tors. theta energy: -3.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -178.397974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.397974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.397974 (E_RNA)
where:
Base-Base interactions energy: -61.952
where: short stacking energy: -47.996
Base-Backbone interact. energy: -0.716
local terms energy: -115.730523
where:
bonds (distance) C4'-P energy: -26.966
bonds (distance) P-C4' energy: -40.456
flat angles C4'-P-C4' energy: -36.362
flat angles P-C4'-P energy: -20.068
tors. eta vs tors. theta energy: 8.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -685.763914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.763914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.763914 (E_RNA)
where:
Base-Base interactions energy: -466.799
where: short stacking energy: -206.378
Base-Backbone interact. energy: 0.166
local terms energy: -219.130320
where:
bonds (distance) C4'-P energy: -39.271
bonds (distance) P-C4' energy: -44.921
flat angles C4'-P-C4' energy: -43.260
flat angles P-C4'-P energy: -28.602
tors. eta vs tors. theta energy: -63.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -673.212105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.212105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.212105 (E_RNA)
where:
Base-Base interactions energy: -455.792
where: short stacking energy: -181.723
Base-Backbone interact. energy: -0.384
local terms energy: -217.036353
where:
bonds (distance) C4'-P energy: -38.775
bonds (distance) P-C4' energy: -39.805
flat angles C4'-P-C4' energy: -45.224
flat angles P-C4'-P energy: -34.028
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: 3, replica: 4
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -608.779160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.779160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.779160 (E_RNA)
where:
Base-Base interactions energy: -417.802
where: short stacking energy: -165.920
Base-Backbone interact. energy: 0.438
local terms energy: -191.415115
where:
bonds (distance) C4'-P energy: -28.807
bonds (distance) P-C4' energy: -41.558
flat angles C4'-P-C4' energy: -40.942
flat angles P-C4'-P energy: -22.601
tors. eta vs tors. theta energy: -57.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -572.930021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.930021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.930021 (E_RNA)
where:
Base-Base interactions energy: -367.934
where: short stacking energy: -169.417
Base-Backbone interact. energy: -0.903
local terms energy: -204.093540
where:
bonds (distance) C4'-P energy: -43.143
bonds (distance) P-C4' energy: -43.346
flat angles C4'-P-C4' energy: -40.765
flat angles P-C4'-P energy: -24.839
tors. eta vs tors. theta energy: -52.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -563.075579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.075579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.075579 (E_RNA)
where:
Base-Base interactions energy: -374.712
where: short stacking energy: -174.720
Base-Backbone interact. energy: -0.197
local terms energy: -188.165967
where:
bonds (distance) C4'-P energy: -37.011
bonds (distance) P-C4' energy: -38.451
flat angles C4'-P-C4' energy: -38.134
flat angles P-C4'-P energy: -22.071
tors. eta vs tors. theta energy: -52.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -565.357005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.357005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.357005 (E_RNA)
where:
Base-Base interactions energy: -379.771
where: short stacking energy: -164.516
Base-Backbone interact. energy: 0.307
local terms energy: -185.893047
where:
bonds (distance) C4'-P energy: -37.384
bonds (distance) P-C4' energy: -34.774
flat angles C4'-P-C4' energy: -37.274
flat angles P-C4'-P energy: -27.557
tors. eta vs tors. theta energy: -48.905
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: 9
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -454.329836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.329836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.329836 (E_RNA)
where:
Base-Base interactions energy: -294.973
where: short stacking energy: -120.182
Base-Backbone interact. energy: -1.064
local terms energy: -158.292697
where:
bonds (distance) C4'-P energy: -32.412
bonds (distance) P-C4' energy: -33.014
flat angles C4'-P-C4' energy: -36.745
flat angles P-C4'-P energy: -24.719
tors. eta vs tors. theta energy: -31.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -191.703006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.703006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.703006 (E_RNA)
where:
Base-Base interactions energy: -65.022
where: short stacking energy: -58.620
Base-Backbone interact. energy: 0.011
local terms energy: -126.691741
where:
bonds (distance) C4'-P energy: -27.886
bonds (distance) P-C4' energy: -43.136
flat angles C4'-P-C4' energy: -37.309
flat angles P-C4'-P energy: -17.845
tors. eta vs tors. theta energy: -0.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -188.928465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.928465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.928465 (E_RNA)
where:
Base-Base interactions energy: -67.401
where: short stacking energy: -55.588
Base-Backbone interact. energy: -0.938
local terms energy: -120.589417
where:
bonds (distance) C4'-P energy: -34.938
bonds (distance) P-C4' energy: -32.387
flat angles C4'-P-C4' energy: -26.252
flat angles P-C4'-P energy: -20.188
tors. eta vs tors. theta energy: -6.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -188.206569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.206569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.206569 (E_RNA)
where:
Base-Base interactions energy: -71.945
where: short stacking energy: -56.566
Base-Backbone interact. energy: -0.976
local terms energy: -115.285391
where:
bonds (distance) C4'-P energy: -34.141
bonds (distance) P-C4' energy: -42.094
flat angles C4'-P-C4' energy: -24.838
flat angles P-C4'-P energy: -16.533
tors. eta vs tors. theta energy: 2.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -674.399304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.399304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.399304 (E_RNA)
where:
Base-Base interactions energy: -459.916
where: short stacking energy: -179.131
Base-Backbone interact. energy: -0.620
local terms energy: -213.862750
where:
bonds (distance) C4'-P energy: -37.776
bonds (distance) P-C4' energy: -38.401
flat angles C4'-P-C4' energy: -46.949
flat angles P-C4'-P energy: -31.326
tors. eta vs tors. theta energy: -59.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -678.030830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.030830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.030830 (E_RNA)
where:
Base-Base interactions energy: -471.406
where: short stacking energy: -210.047
Base-Backbone interact. energy: -1.161
local terms energy: -205.463562
where:
bonds (distance) C4'-P energy: -36.693
bonds (distance) P-C4' energy: -39.128
flat angles C4'-P-C4' energy: -43.390
flat angles P-C4'-P energy: -29.406
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: 3, replica: 2
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -580.639583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.639583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.639583 (E_RNA)
where:
Base-Base interactions energy: -376.804
where: short stacking energy: -196.207
Base-Backbone interact. energy: -0.694
local terms energy: -203.140884
where:
bonds (distance) C4'-P energy: -38.432
bonds (distance) P-C4' energy: -31.396
flat angles C4'-P-C4' energy: -46.525
flat angles P-C4'-P energy: -27.143
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: 4, replica: 4
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -580.839094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.839094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.839094 (E_RNA)
where:
Base-Base interactions energy: -386.872
where: short stacking energy: -151.797
Base-Backbone interact. energy: -0.450
local terms energy: -193.517231
where:
bonds (distance) C4'-P energy: -36.367
bonds (distance) P-C4' energy: -37.923
flat angles C4'-P-C4' energy: -43.573
flat angles P-C4'-P energy: -28.380
tors. eta vs tors. theta energy: -47.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -580.851448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.851448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.851448 (E_RNA)
where:
Base-Base interactions energy: -403.024
where: short stacking energy: -168.385
Base-Backbone interact. energy: 0.395
local terms energy: -178.222663
where:
bonds (distance) C4'-P energy: -36.838
bonds (distance) P-C4' energy: -39.844
flat angles C4'-P-C4' energy: -33.385
flat angles P-C4'-P energy: -22.294
tors. eta vs tors. theta energy: -45.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -553.482955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.482955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.482955 (E_RNA)
where:
Base-Base interactions energy: -360.075
where: short stacking energy: -171.137
Base-Backbone interact. energy: -0.090
local terms energy: -193.318146
where:
bonds (distance) C4'-P energy: -34.024
bonds (distance) P-C4' energy: -38.778
flat angles C4'-P-C4' energy: -41.256
flat angles P-C4'-P energy: -33.027
tors. eta vs tors. theta energy: -46.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -456.697529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.697529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.697529 (E_RNA)
where:
Base-Base interactions energy: -293.992
where: short stacking energy: -118.195
Base-Backbone interact. energy: -0.678
local terms energy: -162.027495
where:
bonds (distance) C4'-P energy: -39.384
bonds (distance) P-C4' energy: -40.925
flat angles C4'-P-C4' energy: -26.764
flat angles P-C4'-P energy: -22.791
tors. eta vs tors. theta energy: -32.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -187.335211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.335211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.335211 (E_RNA)
where:
Base-Base interactions energy: -68.078
where: short stacking energy: -56.263
Base-Backbone interact. energy: -1.580
local terms energy: -117.677542
where:
bonds (distance) C4'-P energy: -38.228
bonds (distance) P-C4' energy: -35.470
flat angles C4'-P-C4' energy: -34.271
flat angles P-C4'-P energy: -21.389
tors. eta vs tors. theta energy: 11.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -178.867103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.867103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.867103 (E_RNA)
where:
Base-Base interactions energy: -65.976
where: short stacking energy: -52.970
Base-Backbone interact. energy: -1.086
local terms energy: -111.805290
where:
bonds (distance) C4'-P energy: -36.052
bonds (distance) P-C4' energy: -35.992
flat angles C4'-P-C4' energy: -34.773
flat angles P-C4'-P energy: 0.755
tors. eta vs tors. theta energy: -5.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -164.826545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.826545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.826545 (E_RNA)
where:
Base-Base interactions energy: -66.153
where: short stacking energy: -43.706
Base-Backbone interact. energy: 1.159
local terms energy: -99.833041
where:
bonds (distance) C4'-P energy: -27.504
bonds (distance) P-C4' energy: -32.822
flat angles C4'-P-C4' energy: -34.320
flat angles P-C4'-P energy: -6.076
tors. eta vs tors. theta energy: 0.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -679.682363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.682363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.682363 (E_RNA)
where:
Base-Base interactions energy: -468.996
where: short stacking energy: -187.901
Base-Backbone interact. energy: -0.403
local terms energy: -210.283998
where:
bonds (distance) C4'-P energy: -31.216
bonds (distance) P-C4' energy: -44.692
flat angles C4'-P-C4' energy: -38.643
flat angles P-C4'-P energy: -30.375
tors. eta vs tors. theta energy: -65.358
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: 1
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -670.244989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.244989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.244989 (E_RNA)
where:
Base-Base interactions energy: -456.699
where: short stacking energy: -201.866
Base-Backbone interact. energy: -2.103
local terms energy: -211.442567
where:
bonds (distance) C4'-P energy: -34.816
bonds (distance) P-C4' energy: -38.538
flat angles C4'-P-C4' energy: -41.536
flat angles P-C4'-P energy: -36.408
tors. eta vs tors. theta energy: -60.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -581.846205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.846205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.846205 (E_RNA)
where:
Base-Base interactions energy: -375.287
where: short stacking energy: -187.119
Base-Backbone interact. energy: -1.081
local terms energy: -205.477977
where:
bonds (distance) C4'-P energy: -35.523
bonds (distance) P-C4' energy: -33.632
flat angles C4'-P-C4' energy: -43.935
flat angles P-C4'-P energy: -34.094
tors. eta vs tors. theta energy: -58.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -591.308057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.308057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.308057 (E_RNA)
where:
Base-Base interactions energy: -395.864
where: short stacking energy: -158.090
Base-Backbone interact. energy: -0.246
local terms energy: -195.198395
where:
bonds (distance) C4'-P energy: -38.271
bonds (distance) P-C4' energy: -35.471
flat angles C4'-P-C4' energy: -44.046
flat angles P-C4'-P energy: -25.527
tors. eta vs tors. theta energy: -51.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -572.332054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.332054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.332054 (E_RNA)
where:
Base-Base interactions energy: -397.564
where: short stacking energy: -165.608
Base-Backbone interact. energy: -0.995
local terms energy: -173.773125
where:
bonds (distance) C4'-P energy: -31.103
bonds (distance) P-C4' energy: -33.414
flat angles C4'-P-C4' energy: -41.241
flat angles P-C4'-P energy: -25.029
tors. eta vs tors. theta energy: -42.986
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: 6, replica: 7
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -553.393324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.393324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.393324 (E_RNA)
where:
Base-Base interactions energy: -377.390
where: short stacking energy: -164.844
Base-Backbone interact. energy: 0.320
local terms energy: -176.323532
where:
bonds (distance) C4'-P energy: -25.453
bonds (distance) P-C4' energy: -34.013
flat angles C4'-P-C4' energy: -36.412
flat angles P-C4'-P energy: -26.128
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: 7, replica: 9
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -455.515580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.515580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.515580 (E_RNA)
where:
Base-Base interactions energy: -304.543
where: short stacking energy: -118.783
Base-Backbone interact. energy: -0.708
local terms energy: -150.264624
where:
bonds (distance) C4'-P energy: -24.806
bonds (distance) P-C4' energy: -28.741
flat angles C4'-P-C4' energy: -36.161
flat angles P-C4'-P energy: -25.220
tors. eta vs tors. theta energy: -35.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -217.322162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.322162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.322162 (E_RNA)
where:
Base-Base interactions energy: -100.592
where: short stacking energy: -70.787
Base-Backbone interact. energy: -0.531
local terms energy: -116.199249
where:
bonds (distance) C4'-P energy: -28.693
bonds (distance) P-C4' energy: -40.226
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -21.248
tors. eta vs tors. theta energy: -7.868
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: 8
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -184.346379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.346379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.346379 (E_RNA)
where:
Base-Base interactions energy: -71.907
where: short stacking energy: -56.142
Base-Backbone interact. energy: -1.301
local terms energy: -111.137980
where:
bonds (distance) C4'-P energy: -35.725
bonds (distance) P-C4' energy: -26.147
flat angles C4'-P-C4' energy: -37.862
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: 2.449
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: 10, replica: 10
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -192.762132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.762132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.762132 (E_RNA)
where:
Base-Base interactions energy: -75.119
where: short stacking energy: -38.710
Base-Backbone interact. energy: -0.680
local terms energy: -116.962585
where:
bonds (distance) C4'-P energy: -32.884
bonds (distance) P-C4' energy: -35.248
flat angles C4'-P-C4' energy: -31.253
flat angles P-C4'-P energy: -23.435
tors. eta vs tors. theta energy: 5.858
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: 3
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -680.249097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.249097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.249097 (E_RNA)
where:
Base-Base interactions energy: -459.359
where: short stacking energy: -195.982
Base-Backbone interact. energy: -0.589
local terms energy: -220.300492
where:
bonds (distance) C4'-P energy: -41.890
bonds (distance) P-C4' energy: -42.834
flat angles C4'-P-C4' energy: -39.590
flat angles P-C4'-P energy: -33.895
tors. eta vs tors. theta energy: -62.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -665.248140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.248140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.248140 (E_RNA)
where:
Base-Base interactions energy: -446.084
where: short stacking energy: -190.034
Base-Backbone interact. energy: -1.982
local terms energy: -217.182925
where:
bonds (distance) C4'-P energy: -38.005
bonds (distance) P-C4' energy: -40.717
flat angles C4'-P-C4' energy: -49.518
flat angles P-C4'-P energy: -31.529
tors. eta vs tors. theta energy: -57.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -612.304038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.304038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.304038 (E_RNA)
where:
Base-Base interactions energy: -407.434
where: short stacking energy: -178.124
Base-Backbone interact. energy: -0.095
local terms energy: -204.774215
where:
bonds (distance) C4'-P energy: -34.632
bonds (distance) P-C4' energy: -40.845
flat angles C4'-P-C4' energy: -43.903
flat angles P-C4'-P energy: -31.134
tors. eta vs tors. theta energy: -54.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -560.081525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.081525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.081525 (E_RNA)
where:
Base-Base interactions energy: -366.939
where: short stacking energy: -182.289
Base-Backbone interact. energy: 0.513
local terms energy: -193.655715
where:
bonds (distance) C4'-P energy: -27.536
bonds (distance) P-C4' energy: -37.167
flat angles C4'-P-C4' energy: -42.523
flat angles P-C4'-P energy: -29.370
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: 5, replica: 7
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -568.904518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.904518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.904518 (E_RNA)
where:
Base-Base interactions energy: -380.383
where: short stacking energy: -170.747
Base-Backbone interact. energy: -0.038
local terms energy: -188.483309
where:
bonds (distance) C4'-P energy: -37.035
bonds (distance) P-C4' energy: -32.115
flat angles C4'-P-C4' energy: -39.795
flat angles P-C4'-P energy: -26.391
tors. eta vs tors. theta energy: -53.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -559.840737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.840737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.840737 (E_RNA)
where:
Base-Base interactions energy: -388.331
where: short stacking energy: -154.117
Base-Backbone interact. energy: 2.226
local terms energy: -173.735437
where:
bonds (distance) C4'-P energy: -28.862
bonds (distance) P-C4' energy: -36.495
flat angles C4'-P-C4' energy: -38.790
flat angles P-C4'-P energy: -27.265
tors. eta vs tors. theta energy: -42.324
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: 9
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -467.440500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.440500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.440500 (E_RNA)
where:
Base-Base interactions energy: -299.210
where: short stacking energy: -124.287
Base-Backbone interact. energy: 1.880
local terms energy: -170.110229
where:
bonds (distance) C4'-P energy: -37.521
bonds (distance) P-C4' energy: -41.861
flat angles C4'-P-C4' energy: -37.927
flat angles P-C4'-P energy: -19.020
tors. eta vs tors. theta energy: -33.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -186.764623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.764623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.764623 (E_RNA)
where:
Base-Base interactions energy: -67.377
where: short stacking energy: -54.899
Base-Backbone interact. energy: 1.405
local terms energy: -120.793126
where:
bonds (distance) C4'-P energy: -33.638
bonds (distance) P-C4' energy: -38.295
flat angles C4'-P-C4' energy: -31.593
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -7.104
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: 10
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -191.215609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.215609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.215609 (E_RNA)
where:
Base-Base interactions energy: -65.152
where: short stacking energy: -61.656
Base-Backbone interact. energy: -0.344
local terms energy: -125.720071
where:
bonds (distance) C4'-P energy: -31.108
bonds (distance) P-C4' energy: -29.776
flat angles C4'-P-C4' energy: -34.451
flat angles P-C4'-P energy: -24.468
tors. eta vs tors. theta energy: -5.917
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: 10, replica: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -160.404923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.404923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.404923 (E_RNA)
where:
Base-Base interactions energy: -46.776
where: short stacking energy: -33.057
Base-Backbone interact. energy: -1.882
local terms energy: -111.746880
where:
bonds (distance) C4'-P energy: -28.587
bonds (distance) P-C4' energy: -28.541
flat angles C4'-P-C4' energy: -27.048
flat angles P-C4'-P energy: -24.039
tors. eta vs tors. theta energy: -3.532
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: 1, replica: 3
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -700.382507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.382507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.382507 (E_RNA)
where:
Base-Base interactions energy: -480.771
where: short stacking energy: -185.331
Base-Backbone interact. energy: 0.654
local terms energy: -220.266040
where:
bonds (distance) C4'-P energy: -39.554
bonds (distance) P-C4' energy: -36.427
flat angles C4'-P-C4' energy: -50.265
flat angles P-C4'-P energy: -34.774
tors. eta vs tors. theta energy: -59.246
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: 1
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -675.844278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.844278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.844278 (E_RNA)
where:
Base-Base interactions energy: -459.747
where: short stacking energy: -195.894
Base-Backbone interact. energy: 0.740
local terms energy: -216.837437
where:
bonds (distance) C4'-P energy: -36.094
bonds (distance) P-C4' energy: -36.744
flat angles C4'-P-C4' energy: -47.908
flat angles P-C4'-P energy: -35.761
tors. eta vs tors. theta energy: -60.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -608.079952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.079952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.079952 (E_RNA)
where:
Base-Base interactions energy: -416.226
where: short stacking energy: -172.337
Base-Backbone interact. energy: -0.086
local terms energy: -191.768019
where:
bonds (distance) C4'-P energy: -34.207
bonds (distance) P-C4' energy: -33.640
flat angles C4'-P-C4' energy: -45.640
flat angles P-C4'-P energy: -26.151
tors. eta vs tors. theta energy: -52.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -588.295632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.295632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.295632 (E_RNA)
where:
Base-Base interactions energy: -388.806
where: short stacking energy: -176.049
Base-Backbone interact. energy: 0.037
local terms energy: -199.526492
where:
bonds (distance) C4'-P energy: -39.127
bonds (distance) P-C4' energy: -39.211
flat angles C4'-P-C4' energy: -43.116
flat angles P-C4'-P energy: -28.041
tors. eta vs tors. theta energy: -50.033
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: 5, replica: 2
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -558.882848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.882848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.882848 (E_RNA)
where:
Base-Base interactions energy: -360.527
where: short stacking energy: -182.373
Base-Backbone interact. energy: -0.008
local terms energy: -198.347783
where:
bonds (distance) C4'-P energy: -36.203
bonds (distance) P-C4' energy: -33.354
flat angles C4'-P-C4' energy: -40.320
flat angles P-C4'-P energy: -29.765
tors. eta vs tors. theta energy: -58.706
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: 6, replica: 5
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -550.069359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.069359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.069359 (E_RNA)
where:
Base-Base interactions energy: -352.198
where: short stacking energy: -153.105
Base-Backbone interact. energy: 1.139
local terms energy: -199.011003
where:
bonds (distance) C4'-P energy: -35.636
bonds (distance) P-C4' energy: -40.991
flat angles C4'-P-C4' energy: -46.536
flat angles P-C4'-P energy: -30.125
tors. eta vs tors. theta energy: -45.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -448.409288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.409288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.409288 (E_RNA)
where:
Base-Base interactions energy: -289.843
where: short stacking energy: -135.451
Base-Backbone interact. energy: -0.602
local terms energy: -157.964052
where:
bonds (distance) C4'-P energy: -35.835
bonds (distance) P-C4' energy: -23.422
flat angles C4'-P-C4' energy: -42.833
flat angles P-C4'-P energy: -23.170
tors. eta vs tors. theta energy: -32.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -194.956955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.956955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.956955 (E_RNA)
where:
Base-Base interactions energy: -71.968
where: short stacking energy: -57.878
Base-Backbone interact. energy: 0.515
local terms energy: -123.503773
where:
bonds (distance) C4'-P energy: -34.566
bonds (distance) P-C4' energy: -32.491
flat angles C4'-P-C4' energy: -32.748
flat angles P-C4'-P energy: -19.687
tors. eta vs tors. theta energy: -4.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -214.358874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.358874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.358874 (E_RNA)
where:
Base-Base interactions energy: -103.285
where: short stacking energy: -69.117
Base-Backbone interact. energy: -1.269
local terms energy: -109.804852
where:
bonds (distance) C4'-P energy: -32.926
bonds (distance) P-C4' energy: -33.171
flat angles C4'-P-C4' energy: -22.281
flat angles P-C4'-P energy: -16.441
tors. eta vs tors. theta energy: -4.986
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: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -172.159848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.159848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.159848 (E_RNA)
where:
Base-Base interactions energy: -60.568
where: short stacking energy: -57.087
Base-Backbone interact. energy: 1.618
local terms energy: -113.209799
where:
bonds (distance) C4'-P energy: -31.221
bonds (distance) P-C4' energy: -35.518
flat angles C4'-P-C4' energy: -30.515
flat angles P-C4'-P energy: -19.660
tors. eta vs tors. theta energy: 3.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -683.277145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.277145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.277145 (E_RNA)
where:
Base-Base interactions energy: -478.316
where: short stacking energy: -212.468
Base-Backbone interact. energy: 4.907
local terms energy: -209.868416
where:
bonds (distance) C4'-P energy: -31.222
bonds (distance) P-C4' energy: -41.462
flat angles C4'-P-C4' energy: -47.317
flat angles P-C4'-P energy: -31.660
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: 3
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -671.639091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.639091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.639091 (E_RNA)
where:
Base-Base interactions energy: -461.839
where: short stacking energy: -177.844
Base-Backbone interact. energy: -0.585
local terms energy: -209.215343
where:
bonds (distance) C4'-P energy: -40.151
bonds (distance) P-C4' energy: -31.874
flat angles C4'-P-C4' energy: -44.154
flat angles P-C4'-P energy: -36.719
tors. eta vs tors. theta energy: -56.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -613.261249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.261249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.261249 (E_RNA)
where:
Base-Base interactions energy: -395.037
where: short stacking energy: -170.733
Base-Backbone interact. energy: -0.338
local terms energy: -217.885973
where:
bonds (distance) C4'-P energy: -42.600
bonds (distance) P-C4' energy: -40.253
flat angles C4'-P-C4' energy: -51.159
flat angles P-C4'-P energy: -30.064
tors. eta vs tors. theta energy: -53.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -587.025453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.025453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.025453 (E_RNA)
where:
Base-Base interactions energy: -388.039
where: short stacking energy: -172.520
Base-Backbone interact. energy: -0.186
local terms energy: -198.800767
where:
bonds (distance) C4'-P energy: -38.087
bonds (distance) P-C4' energy: -37.377
flat angles C4'-P-C4' energy: -40.178
flat angles P-C4'-P energy: -27.521
tors. eta vs tors. theta energy: -55.638
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: 5
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -569.441118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.441118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.441118 (E_RNA)
where:
Base-Base interactions energy: -378.199
where: short stacking energy: -164.507
Base-Backbone interact. energy: 2.239
local terms energy: -193.482003
where:
bonds (distance) C4'-P energy: -38.708
bonds (distance) P-C4' energy: -41.116
flat angles C4'-P-C4' energy: -34.320
flat angles P-C4'-P energy: -30.942
tors. eta vs tors. theta energy: -48.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -520.732392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.732392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.732392 (E_RNA)
where:
Base-Base interactions energy: -335.779
where: short stacking energy: -156.208
Base-Backbone interact. energy: -0.140
local terms energy: -184.813339
where:
bonds (distance) C4'-P energy: -35.024
bonds (distance) P-C4' energy: -39.797
flat angles C4'-P-C4' energy: -40.915
flat angles P-C4'-P energy: -29.067
tors. eta vs tors. theta energy: -40.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -489.552348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.552348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.552348 (E_RNA)
where:
Base-Base interactions energy: -324.090
where: short stacking energy: -131.532
Base-Backbone interact. energy: -0.303
local terms energy: -165.159481
where:
bonds (distance) C4'-P energy: -26.539
bonds (distance) P-C4' energy: -34.041
flat angles C4'-P-C4' energy: -43.072
flat angles P-C4'-P energy: -19.421
tors. eta vs tors. theta energy: -42.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -225.759911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.759911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.759911 (E_RNA)
where:
Base-Base interactions energy: -83.677
where: short stacking energy: -69.739
Base-Backbone interact. energy: -0.519
local terms energy: -141.563644
where:
bonds (distance) C4'-P energy: -37.700
bonds (distance) P-C4' energy: -34.838
flat angles C4'-P-C4' energy: -33.855
flat angles P-C4'-P energy: -26.401
tors. eta vs tors. theta energy: -8.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -198.707624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.707624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.707624 (E_RNA)
where:
Base-Base interactions energy: -75.176
where: short stacking energy: -59.732
Base-Backbone interact. energy: 1.983
local terms energy: -125.514438
where:
bonds (distance) C4'-P energy: -30.941
bonds (distance) P-C4' energy: -32.397
flat angles C4'-P-C4' energy: -34.881
flat angles P-C4'-P energy: -20.248
tors. eta vs tors. theta energy: -7.048
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: 6
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -155.173477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.173477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.173477 (E_RNA)
where:
Base-Base interactions energy: -38.284
where: short stacking energy: -32.439
Base-Backbone interact. energy: -0.888
local terms energy: -116.001825
where:
bonds (distance) C4'-P energy: -31.004
bonds (distance) P-C4' energy: -38.970
flat angles C4'-P-C4' energy: -36.927
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: 4.118
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: 1
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -677.402498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.402498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.402498 (E_RNA)
where:
Base-Base interactions energy: -456.912
where: short stacking energy: -201.425
Base-Backbone interact. energy: 1.323
local terms energy: -221.814076
where:
bonds (distance) C4'-P energy: -36.820
bonds (distance) P-C4' energy: -45.186
flat angles C4'-P-C4' energy: -44.811
flat angles P-C4'-P energy: -35.845
tors. eta vs tors. theta energy: -59.152
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: 3
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -667.360514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.360514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.360514 (E_RNA)
where:
Base-Base interactions energy: -458.328
where: short stacking energy: -187.814
Base-Backbone interact. energy: -1.419
local terms energy: -207.613697
where:
bonds (distance) C4'-P energy: -43.125
bonds (distance) P-C4' energy: -39.716
flat angles C4'-P-C4' energy: -41.940
flat angles P-C4'-P energy: -22.959
tors. eta vs tors. theta energy: -59.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -624.891757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.891757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.891757 (E_RNA)
where:
Base-Base interactions energy: -416.943
where: short stacking energy: -183.807
Base-Backbone interact. energy: 0.274
local terms energy: -208.222492
where:
bonds (distance) C4'-P energy: -39.669
bonds (distance) P-C4' energy: -39.264
flat angles C4'-P-C4' energy: -40.833
flat angles P-C4'-P energy: -30.357
tors. eta vs tors. theta energy: -58.099
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: 4, replica: 7
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -583.155369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.155369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.155369 (E_RNA)
where:
Base-Base interactions energy: -384.705
where: short stacking energy: -176.556
Base-Backbone interact. energy: -1.912
local terms energy: -196.538255
where:
bonds (distance) C4'-P energy: -41.843
bonds (distance) P-C4' energy: -40.173
flat angles C4'-P-C4' energy: -37.329
flat angles P-C4'-P energy: -28.077
tors. eta vs tors. theta energy: -49.117
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: 5, replica: 5
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -573.177302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.177302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.177302 (E_RNA)
where:
Base-Base interactions energy: -400.783
where: short stacking energy: -173.045
Base-Backbone interact. energy: 2.889
local terms energy: -175.282839
where:
bonds (distance) C4'-P energy: -30.593
bonds (distance) P-C4' energy: -35.318
flat angles C4'-P-C4' energy: -36.639
flat angles P-C4'-P energy: -24.904
tors. eta vs tors. theta energy: -47.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -512.631424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.631424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.631424 (E_RNA)
where:
Base-Base interactions energy: -333.681
where: short stacking energy: -152.276
Base-Backbone interact. energy: 0.693
local terms energy: -179.643415
where:
bonds (distance) C4'-P energy: -36.660
bonds (distance) P-C4' energy: -33.896
flat angles C4'-P-C4' energy: -35.366
flat angles P-C4'-P energy: -29.112
tors. eta vs tors. theta energy: -44.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -508.601362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.601362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.601362 (E_RNA)
where:
Base-Base interactions energy: -323.138
where: short stacking energy: -146.380
Base-Backbone interact. energy: -0.788
local terms energy: -184.675707
where:
bonds (distance) C4'-P energy: -42.597
bonds (distance) P-C4' energy: -36.050
flat angles C4'-P-C4' energy: -38.581
flat angles P-C4'-P energy: -23.630
tors. eta vs tors. theta energy: -43.818
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: 8
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -225.185183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.185183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.185183 (E_RNA)
where:
Base-Base interactions energy: -96.384
where: short stacking energy: -60.593
Base-Backbone interact. energy: 3.700
local terms energy: -132.501931
where:
bonds (distance) C4'-P energy: -32.887
bonds (distance) P-C4' energy: -35.843
flat angles C4'-P-C4' energy: -34.552
flat angles P-C4'-P energy: -26.303
tors. eta vs tors. theta energy: -2.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -195.079907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.079907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.079907 (E_RNA)
where:
Base-Base interactions energy: -73.247
where: short stacking energy: -71.437
Base-Backbone interact. energy: -0.325
local terms energy: -121.508087
where:
bonds (distance) C4'-P energy: -35.411
bonds (distance) P-C4' energy: -37.339
flat angles C4'-P-C4' energy: -27.555
flat angles P-C4'-P energy: -19.084
tors. eta vs tors. theta energy: -2.119
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: 6
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -167.433869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.433869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.433869 (E_RNA)
where:
Base-Base interactions energy: -37.246
where: short stacking energy: -34.499
Base-Backbone interact. energy: 1.215
local terms energy: -131.403139
where:
bonds (distance) C4'-P energy: -40.056
bonds (distance) P-C4' energy: -44.656
flat angles C4'-P-C4' energy: -37.250
flat angles P-C4'-P energy: -17.306
tors. eta vs tors. theta energy: 7.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -683.518161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.518161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.518161 (E_RNA)
where:
Base-Base interactions energy: -469.698
where: short stacking energy: -193.830
Base-Backbone interact. energy: 1.639
local terms energy: -215.458639
where:
bonds (distance) C4'-P energy: -44.344
bonds (distance) P-C4' energy: -42.106
flat angles C4'-P-C4' energy: -42.371
flat angles P-C4'-P energy: -24.752
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: 1
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -694.812220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.812220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.812220 (E_RNA)
where:
Base-Base interactions energy: -463.201
where: short stacking energy: -187.917
Base-Backbone interact. energy: -0.659
local terms energy: -230.952559
where:
bonds (distance) C4'-P energy: -40.331
bonds (distance) P-C4' energy: -45.561
flat angles C4'-P-C4' energy: -46.741
flat angles P-C4'-P energy: -37.672
tors. eta vs tors. theta energy: -60.647
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: 4
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -634.012786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.012786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.012786 (E_RNA)
where:
Base-Base interactions energy: -420.389
where: short stacking energy: -191.605
Base-Backbone interact. energy: -0.205
local terms energy: -213.418274
where:
bonds (distance) C4'-P energy: -41.873
bonds (distance) P-C4' energy: -39.469
flat angles C4'-P-C4' energy: -45.491
flat angles P-C4'-P energy: -30.078
tors. eta vs tors. theta energy: -56.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -592.843513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.843513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.843513 (E_RNA)
where:
Base-Base interactions energy: -386.519
where: short stacking energy: -181.523
Base-Backbone interact. energy: -0.218
local terms energy: -206.106975
where:
bonds (distance) C4'-P energy: -38.432
bonds (distance) P-C4' energy: -36.864
flat angles C4'-P-C4' energy: -42.112
flat angles P-C4'-P energy: -28.194
tors. eta vs tors. theta energy: -60.504
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: 470
Temperature: 1.100000
Total energy: -581.214315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.214315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.214315 (E_RNA)
where:
Base-Base interactions energy: -384.062
where: short stacking energy: -180.417
Base-Backbone interact. energy: -0.881
local terms energy: -196.271483
where:
bonds (distance) C4'-P energy: -39.563
bonds (distance) P-C4' energy: -37.989
flat angles C4'-P-C4' energy: -36.198
flat angles P-C4'-P energy: -28.449
tors. eta vs tors. theta energy: -54.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -516.207508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.207508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.207508 (E_RNA)
where:
Base-Base interactions energy: -329.307
where: short stacking energy: -147.730
Base-Backbone interact. energy: 1.101
local terms energy: -188.001615
where:
bonds (distance) C4'-P energy: -36.778
bonds (distance) P-C4' energy: -41.941
flat angles C4'-P-C4' energy: -35.014
flat angles P-C4'-P energy: -28.218
tors. eta vs tors. theta energy: -46.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -526.292052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.292052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.292052 (E_RNA)
where:
Base-Base interactions energy: -360.684
where: short stacking energy: -171.187
Base-Backbone interact. energy: -0.459
local terms energy: -165.148973
where:
bonds (distance) C4'-P energy: -26.750
bonds (distance) P-C4' energy: -31.879
flat angles C4'-P-C4' energy: -30.577
flat angles P-C4'-P energy: -25.097
tors. eta vs tors. theta energy: -50.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -236.281072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.281072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.281072 (E_RNA)
where:
Base-Base interactions energy: -105.472
where: short stacking energy: -67.677
Base-Backbone interact. energy: -0.550
local terms energy: -130.259667
where:
bonds (distance) C4'-P energy: -36.287
bonds (distance) P-C4' energy: -30.344
flat angles C4'-P-C4' energy: -41.007
flat angles P-C4'-P energy: -19.427
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: 9, replica: 6
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -180.987675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.987675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.987675 (E_RNA)
where:
Base-Base interactions energy: -53.235
where: short stacking energy: -43.526
Base-Backbone interact. energy: -0.656
local terms energy: -127.096262
where:
bonds (distance) C4'-P energy: -38.352
bonds (distance) P-C4' energy: -43.101
flat angles C4'-P-C4' energy: -28.409
flat angles P-C4'-P energy: -16.276
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: 10, replica: 10
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -166.641857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.641857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.641857 (E_RNA)
where:
Base-Base interactions energy: -54.037
where: short stacking energy: -44.942
Base-Backbone interact. energy: 2.598
local terms energy: -115.203593
where:
bonds (distance) C4'-P energy: -37.119
bonds (distance) P-C4' energy: -35.145
flat angles C4'-P-C4' energy: -31.903
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: 2.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -688.139398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.139398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.139398 (E_RNA)
where:
Base-Base interactions energy: -479.284
where: short stacking energy: -194.177
Base-Backbone interact. energy: 1.260
local terms energy: -210.115848
where:
bonds (distance) C4'-P energy: -38.063
bonds (distance) P-C4' energy: -45.329
flat angles C4'-P-C4' energy: -46.324
flat angles P-C4'-P energy: -22.337
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: 2, replica: 1
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -677.335214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.335214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.335214 (E_RNA)
where:
Base-Base interactions energy: -462.175
where: short stacking energy: -204.799
Base-Backbone interact. energy: -0.081
local terms energy: -215.079327
where:
bonds (distance) C4'-P energy: -36.716
bonds (distance) P-C4' energy: -37.657
flat angles C4'-P-C4' energy: -45.992
flat angles P-C4'-P energy: -33.934
tors. eta vs tors. theta energy: -60.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -618.297895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.297895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.297895 (E_RNA)
where:
Base-Base interactions energy: -410.472
where: short stacking energy: -190.875
Base-Backbone interact. energy: 0.252
local terms energy: -208.078680
where:
bonds (distance) C4'-P energy: -40.978
bonds (distance) P-C4' energy: -29.284
flat angles C4'-P-C4' energy: -47.413
flat angles P-C4'-P energy: -30.162
tors. eta vs tors. theta energy: -60.241
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: 4, replica: 7
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -597.938728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.938728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.938728 (E_RNA)
where:
Base-Base interactions energy: -387.311
where: short stacking energy: -177.751
Base-Backbone interact. energy: -1.262
local terms energy: -209.365428
where:
bonds (distance) C4'-P energy: -43.572
bonds (distance) P-C4' energy: -27.939
flat angles C4'-P-C4' energy: -44.067
flat angles P-C4'-P energy: -31.796
tors. eta vs tors. theta energy: -61.991
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: 5
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -563.202770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.202770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.202770 (E_RNA)
where:
Base-Base interactions energy: -395.706
where: short stacking energy: -168.976
Base-Backbone interact. energy: 0.987
local terms energy: -168.484236
where:
bonds (distance) C4'-P energy: -32.169
bonds (distance) P-C4' energy: -29.052
flat angles C4'-P-C4' energy: -40.186
flat angles P-C4'-P energy: -22.170
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: 6, replica: 2
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -541.305443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.305443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.305443 (E_RNA)
where:
Base-Base interactions energy: -354.575
where: short stacking energy: -161.459
Base-Backbone interact. energy: -0.661
local terms energy: -186.070384
where:
bonds (distance) C4'-P energy: -37.584
bonds (distance) P-C4' energy: -34.886
flat angles C4'-P-C4' energy: -42.676
flat angles P-C4'-P energy: -22.021
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: 7, replica: 9
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -493.952801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.952801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.952801 (E_RNA)
where:
Base-Base interactions energy: -321.537
where: short stacking energy: -142.058
Base-Backbone interact. energy: 1.215
local terms energy: -173.631484
where:
bonds (distance) C4'-P energy: -31.041
bonds (distance) P-C4' energy: -31.842
flat angles C4'-P-C4' energy: -46.490
flat angles P-C4'-P energy: -22.889
tors. eta vs tors. theta energy: -41.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -215.845309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.845309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.845309 (E_RNA)
where:
Base-Base interactions energy: -94.871
where: short stacking energy: -51.866
Base-Backbone interact. energy: 0.241
local terms energy: -121.215584
where:
bonds (distance) C4'-P energy: -38.155
bonds (distance) P-C4' energy: -32.508
flat angles C4'-P-C4' energy: -32.726
flat angles P-C4'-P energy: -15.408
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: 9, replica: 6
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -183.353142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.353142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.353142 (E_RNA)
where:
Base-Base interactions energy: -52.261
where: short stacking energy: -52.198
Base-Backbone interact. energy: -1.697
local terms energy: -129.394528
where:
bonds (distance) C4'-P energy: -32.881
bonds (distance) P-C4' energy: -32.912
flat angles C4'-P-C4' energy: -34.229
flat angles P-C4'-P energy: -22.921
tors. eta vs tors. theta energy: -6.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -163.472593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.472593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.472593 (E_RNA)
where:
Base-Base interactions energy: -54.633
where: short stacking energy: -50.830
Base-Backbone interact. energy: -0.392
local terms energy: -108.447294
where:
bonds (distance) C4'-P energy: -33.484
bonds (distance) P-C4' energy: -31.959
flat angles C4'-P-C4' energy: -29.373
flat angles P-C4'-P energy: -14.829
tors. eta vs tors. theta energy: 1.198
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: 1
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -688.849032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.849032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.849032 (E_RNA)
where:
Base-Base interactions energy: -461.145
where: short stacking energy: -203.753
Base-Backbone interact. energy: -0.499
local terms energy: -227.205297
where:
bonds (distance) C4'-P energy: -38.018
bonds (distance) P-C4' energy: -42.019
flat angles C4'-P-C4' energy: -49.565
flat angles P-C4'-P energy: -33.900
tors. eta vs tors. theta energy: -63.703
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: 3
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -670.184731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.184731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.184731 (E_RNA)
where:
Base-Base interactions energy: -477.775
where: short stacking energy: -177.980
Base-Backbone interact. energy: -0.483
local terms energy: -191.926330
where:
bonds (distance) C4'-P energy: -38.290
bonds (distance) P-C4' energy: -34.642
flat angles C4'-P-C4' energy: -37.706
flat angles P-C4'-P energy: -25.693
tors. eta vs tors. theta energy: -55.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -613.716618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.716618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.716618 (E_RNA)
where:
Base-Base interactions energy: -417.787
where: short stacking energy: -197.819
Base-Backbone interact. energy: -0.035
local terms energy: -195.894095
where:
bonds (distance) C4'-P energy: -40.488
bonds (distance) P-C4' energy: -31.539
flat angles C4'-P-C4' energy: -41.365
flat angles P-C4'-P energy: -22.404
tors. eta vs tors. theta energy: -60.098
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: 4
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -599.709579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.709579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.709579 (E_RNA)
where:
Base-Base interactions energy: -398.513
where: short stacking energy: -179.684
Base-Backbone interact. energy: -0.169
local terms energy: -201.027782
where:
bonds (distance) C4'-P energy: -35.529
bonds (distance) P-C4' energy: -34.313
flat angles C4'-P-C4' energy: -42.684
flat angles P-C4'-P energy: -28.812
tors. eta vs tors. theta energy: -59.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -569.381661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.381661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.381661 (E_RNA)
where:
Base-Base interactions energy: -383.668
where: short stacking energy: -175.225
Base-Backbone interact. energy: -0.128
local terms energy: -185.585593
where:
bonds (distance) C4'-P energy: -40.806
bonds (distance) P-C4' energy: -34.167
flat angles C4'-P-C4' energy: -41.658
flat angles P-C4'-P energy: -20.068
tors. eta vs tors. theta energy: -48.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -533.379868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.379868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.379868 (E_RNA)
where:
Base-Base interactions energy: -343.983
where: short stacking energy: -158.214
Base-Backbone interact. energy: -0.462
local terms energy: -188.934610
where:
bonds (distance) C4'-P energy: -42.558
bonds (distance) P-C4' energy: -39.602
flat angles C4'-P-C4' energy: -42.355
flat angles P-C4'-P energy: -27.214
tors. eta vs tors. theta energy: -37.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -481.483737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.483737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.483737 (E_RNA)
where:
Base-Base interactions energy: -302.169
where: short stacking energy: -127.838
Base-Backbone interact. energy: -0.564
local terms energy: -178.750597
where:
bonds (distance) C4'-P energy: -40.157
bonds (distance) P-C4' energy: -35.618
flat angles C4'-P-C4' energy: -35.419
flat angles P-C4'-P energy: -22.545
tors. eta vs tors. theta energy: -45.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -196.400759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.400759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.400759 (E_RNA)
where:
Base-Base interactions energy: -73.206
where: short stacking energy: -59.645
Base-Backbone interact. energy: -0.323
local terms energy: -122.872027
where:
bonds (distance) C4'-P energy: -36.279
bonds (distance) P-C4' energy: -34.072
flat angles C4'-P-C4' energy: -32.909
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -6.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -200.673222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.673222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.673222 (E_RNA)
where:
Base-Base interactions energy: -84.451
where: short stacking energy: -70.004
Base-Backbone interact. energy: -0.606
local terms energy: -115.616750
where:
bonds (distance) C4'-P energy: -28.926
bonds (distance) P-C4' energy: -37.590
flat angles C4'-P-C4' energy: -28.426
flat angles P-C4'-P energy: -16.235
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: 10, replica: 6
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -177.516978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.516978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.516978 (E_RNA)
where:
Base-Base interactions energy: -76.352
where: short stacking energy: -48.385
Base-Backbone interact. energy: 1.894
local terms energy: -103.059006
where:
bonds (distance) C4'-P energy: -29.786
bonds (distance) P-C4' energy: -34.479
flat angles C4'-P-C4' energy: -29.968
flat angles P-C4'-P energy: -14.843
tors. eta vs tors. theta energy: 6.017
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: 1
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -685.796148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.796148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.796148 (E_RNA)
where:
Base-Base interactions energy: -458.178
where: short stacking energy: -202.991
Base-Backbone interact. energy: -0.604
local terms energy: -227.014115
where:
bonds (distance) C4'-P energy: -40.778
bonds (distance) P-C4' energy: -42.427
flat angles C4'-P-C4' energy: -44.701
flat angles P-C4'-P energy: -38.331
tors. eta vs tors. theta energy: -60.778
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: 3
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -677.902991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.902991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.902991 (E_RNA)
where:
Base-Base interactions energy: -450.803
where: short stacking energy: -179.953
Base-Backbone interact. energy: -0.326
local terms energy: -226.774426
where:
bonds (distance) C4'-P energy: -41.809
bonds (distance) P-C4' energy: -43.072
flat angles C4'-P-C4' energy: -43.333
flat angles P-C4'-P energy: -34.942
tors. eta vs tors. theta energy: -63.618
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: 7
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -596.034923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.034923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.034923 (E_RNA)
where:
Base-Base interactions energy: -391.606
where: short stacking energy: -182.117
Base-Backbone interact. energy: 0.241
local terms energy: -204.670042
where:
bonds (distance) C4'-P energy: -35.430
bonds (distance) P-C4' energy: -46.552
flat angles C4'-P-C4' energy: -34.913
flat angles P-C4'-P energy: -27.293
tors. eta vs tors. theta energy: -60.482
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: 4
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -627.954166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.954166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.954166 (E_RNA)
where:
Base-Base interactions energy: -407.680
where: short stacking energy: -175.429
Base-Backbone interact. energy: -0.506
local terms energy: -219.768292
where:
bonds (distance) C4'-P energy: -44.817
bonds (distance) P-C4' energy: -43.484
flat angles C4'-P-C4' energy: -45.113
flat angles P-C4'-P energy: -28.073
tors. eta vs tors. theta energy: -58.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -567.548371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.548371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.548371 (E_RNA)
where:
Base-Base interactions energy: -383.275
where: short stacking energy: -167.286
Base-Backbone interact. energy: 1.499
local terms energy: -185.772091
where:
bonds (distance) C4'-P energy: -33.679
bonds (distance) P-C4' energy: -39.288
flat angles C4'-P-C4' energy: -39.770
flat angles P-C4'-P energy: -29.070
tors. eta vs tors. theta energy: -43.966
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: 6, replica: 9
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -500.738070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.738070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.738070 (E_RNA)
where:
Base-Base interactions energy: -324.148
where: short stacking energy: -131.900
Base-Backbone interact. energy: -0.365
local terms energy: -176.225426
where:
bonds (distance) C4'-P energy: -39.180
bonds (distance) P-C4' energy: -34.601
flat angles C4'-P-C4' energy: -42.068
flat angles P-C4'-P energy: -24.773
tors. eta vs tors. theta energy: -35.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -529.110588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.110588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.110588 (E_RNA)
where:
Base-Base interactions energy: -363.612
where: short stacking energy: -168.526
Base-Backbone interact. energy: -0.238
local terms energy: -165.260449
where:
bonds (distance) C4'-P energy: -26.816
bonds (distance) P-C4' energy: -31.812
flat angles C4'-P-C4' energy: -33.652
flat angles P-C4'-P energy: -21.061
tors. eta vs tors. theta energy: -51.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -186.173713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.173713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.173713 (E_RNA)
where:
Base-Base interactions energy: -62.181
where: short stacking energy: -55.366
Base-Backbone interact. energy: -0.527
local terms energy: -123.466333
where:
bonds (distance) C4'-P energy: -36.829
bonds (distance) P-C4' energy: -39.655
flat angles C4'-P-C4' energy: -30.036
flat angles P-C4'-P energy: -19.389
tors. eta vs tors. theta energy: 2.441
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: 9, replica: 8
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -201.306736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.306736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.306736 (E_RNA)
where:
Base-Base interactions energy: -71.039
where: short stacking energy: -68.693
Base-Backbone interact. energy: -1.211
local terms energy: -129.057071
where:
bonds (distance) C4'-P energy: -31.762
bonds (distance) P-C4' energy: -32.491
flat angles C4'-P-C4' energy: -30.804
flat angles P-C4'-P energy: -18.815
tors. eta vs tors. theta energy: -15.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -177.173652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.173652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.173652 (E_RNA)
where:
Base-Base interactions energy: -70.630
where: short stacking energy: -51.739
Base-Backbone interact. energy: 0.137
local terms energy: -106.679808
where:
bonds (distance) C4'-P energy: -26.495
bonds (distance) P-C4' energy: -33.942
flat angles C4'-P-C4' energy: -26.574
flat angles P-C4'-P energy: -21.053
tors. eta vs tors. theta energy: 1.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -688.765647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.765647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.765647 (E_RNA)
where:
Base-Base interactions energy: -475.116
where: short stacking energy: -196.563
Base-Backbone interact. energy: -0.938
local terms energy: -212.711297
where:
bonds (distance) C4'-P energy: -33.659
bonds (distance) P-C4' energy: -40.082
flat angles C4'-P-C4' energy: -47.022
flat angles P-C4'-P energy: -32.452
tors. eta vs tors. theta energy: -59.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -669.615754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.615754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.615754 (E_RNA)
where:
Base-Base interactions energy: -464.054
where: short stacking energy: -206.840
Base-Backbone interact. energy: -0.842
local terms energy: -204.720204
where:
bonds (distance) C4'-P energy: -36.535
bonds (distance) P-C4' energy: -38.001
flat angles C4'-P-C4' energy: -44.664
flat angles P-C4'-P energy: -25.614
tors. eta vs tors. theta energy: -59.906
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: 7
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -600.449962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.449962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.449962 (E_RNA)
where:
Base-Base interactions energy: -408.716
where: short stacking energy: -189.644
Base-Backbone interact. energy: -0.946
local terms energy: -190.787234
where:
bonds (distance) C4'-P energy: -31.203
bonds (distance) P-C4' energy: -37.050
flat angles C4'-P-C4' energy: -35.086
flat angles P-C4'-P energy: -30.860
tors. eta vs tors. theta energy: -56.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -593.290511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.290511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.290511 (E_RNA)
where:
Base-Base interactions energy: -400.921
where: short stacking energy: -173.434
Base-Backbone interact. energy: -0.648
local terms energy: -191.721072
where:
bonds (distance) C4'-P energy: -37.812
bonds (distance) P-C4' energy: -35.058
flat angles C4'-P-C4' energy: -44.494
flat angles P-C4'-P energy: -22.433
tors. eta vs tors. theta energy: -51.924
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: 474
Temperature: 1.100000
Total energy: -571.417807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.417807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.417807 (E_RNA)
where:
Base-Base interactions energy: -376.498
where: short stacking energy: -169.719
Base-Backbone interact. energy: -0.782
local terms energy: -194.138055
where:
bonds (distance) C4'-P energy: -35.344
bonds (distance) P-C4' energy: -39.159
flat angles C4'-P-C4' energy: -41.521
flat angles P-C4'-P energy: -29.834
tors. eta vs tors. theta energy: -48.280
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: 6, replica: 9
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -493.891262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.891262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.891262 (E_RNA)
where:
Base-Base interactions energy: -334.475
where: short stacking energy: -141.321
Base-Backbone interact. energy: -0.305
local terms energy: -159.111206
where:
bonds (distance) C4'-P energy: -30.861
bonds (distance) P-C4' energy: -32.490
flat angles C4'-P-C4' energy: -37.238
flat angles P-C4'-P energy: -20.763
tors. eta vs tors. theta energy: -37.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -519.895700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.895700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.895700 (E_RNA)
where:
Base-Base interactions energy: -348.234
where: short stacking energy: -157.398
Base-Backbone interact. energy: 0.709
local terms energy: -172.371020
where:
bonds (distance) C4'-P energy: -40.103
bonds (distance) P-C4' energy: -29.577
flat angles C4'-P-C4' energy: -39.048
flat angles P-C4'-P energy: -22.977
tors. eta vs tors. theta energy: -40.665
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: 8, replica: 10
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -209.734554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.734554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.734554 (E_RNA)
where:
Base-Base interactions energy: -73.657
where: short stacking energy: -41.968
Base-Backbone interact. energy: 3.674
local terms energy: -139.751170
where:
bonds (distance) C4'-P energy: -34.367
bonds (distance) P-C4' energy: -41.653
flat angles C4'-P-C4' energy: -38.972
flat angles P-C4'-P energy: -25.577
tors. eta vs tors. theta energy: 0.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -192.278368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.278368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.278368 (E_RNA)
where:
Base-Base interactions energy: -91.719
where: short stacking energy: -59.085
Base-Backbone interact. energy: -0.310
local terms energy: -100.248658
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -34.790
flat angles C4'-P-C4' energy: -25.793
flat angles P-C4'-P energy: -23.510
tors. eta vs tors. theta energy: 0.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -164.108916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.108916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.108916 (E_RNA)
where:
Base-Base interactions energy: -53.865
where: short stacking energy: -44.116
Base-Backbone interact. energy: -0.747
local terms energy: -109.496361
where:
bonds (distance) C4'-P energy: -31.776
bonds (distance) P-C4' energy: -34.265
flat angles C4'-P-C4' energy: -31.116
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -0.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -678.714546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.714546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.714546 (E_RNA)
where:
Base-Base interactions energy: -468.905
where: short stacking energy: -184.252
Base-Backbone interact. energy: 0.316
local terms energy: -210.125162
where:
bonds (distance) C4'-P energy: -38.830
bonds (distance) P-C4' energy: -35.665
flat angles C4'-P-C4' energy: -43.781
flat angles P-C4'-P energy: -30.482
tors. eta vs tors. theta energy: -61.368
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: 2, replica: 1
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -659.180222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.180222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.180222 (E_RNA)
where:
Base-Base interactions energy: -448.251
where: short stacking energy: -198.719
Base-Backbone interact. energy: -0.396
local terms energy: -210.533362
where:
bonds (distance) C4'-P energy: -38.259
bonds (distance) P-C4' energy: -40.113
flat angles C4'-P-C4' energy: -44.045
flat angles P-C4'-P energy: -27.782
tors. eta vs tors. theta energy: -60.335
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: 7
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -608.772081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.772081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.772081 (E_RNA)
where:
Base-Base interactions energy: -396.177
where: short stacking energy: -185.726
Base-Backbone interact. energy: -0.245
local terms energy: -212.350020
where:
bonds (distance) C4'-P energy: -37.167
bonds (distance) P-C4' energy: -39.946
flat angles C4'-P-C4' energy: -46.187
flat angles P-C4'-P energy: -30.437
tors. eta vs tors. theta energy: -58.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -601.112072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.112072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.112072 (E_RNA)
where:
Base-Base interactions energy: -405.656
where: short stacking energy: -184.726
Base-Backbone interact. energy: 1.198
local terms energy: -196.654394
where:
bonds (distance) C4'-P energy: -39.090
bonds (distance) P-C4' energy: -34.890
flat angles C4'-P-C4' energy: -34.804
flat angles P-C4'-P energy: -30.900
tors. eta vs tors. theta energy: -56.970
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: 475
Temperature: 1.100000
Total energy: -576.770258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.770258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.770258 (E_RNA)
where:
Base-Base interactions energy: -380.389
where: short stacking energy: -166.123
Base-Backbone interact. energy: -0.581
local terms energy: -195.800442
where:
bonds (distance) C4'-P energy: -45.089
bonds (distance) P-C4' energy: -34.614
flat angles C4'-P-C4' energy: -39.486
flat angles P-C4'-P energy: -28.986
tors. eta vs tors. theta energy: -47.627
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: 9
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -494.200468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.200468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.200468 (E_RNA)
where:
Base-Base interactions energy: -312.600
where: short stacking energy: -125.258
Base-Backbone interact. energy: 0.423
local terms energy: -182.024394
where:
bonds (distance) C4'-P energy: -39.015
bonds (distance) P-C4' energy: -42.688
flat angles C4'-P-C4' energy: -36.654
flat angles P-C4'-P energy: -28.228
tors. eta vs tors. theta energy: -35.438
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: 2
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -529.039235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.039235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.039235 (E_RNA)
where:
Base-Base interactions energy: -354.879
where: short stacking energy: -166.509
Base-Backbone interact. energy: 0.376
local terms energy: -174.535552
where:
bonds (distance) C4'-P energy: -32.848
bonds (distance) P-C4' energy: -36.607
flat angles C4'-P-C4' energy: -32.481
flat angles P-C4'-P energy: -28.190
tors. eta vs tors. theta energy: -44.409
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: 10
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -194.808652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.808652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.808652 (E_RNA)
where:
Base-Base interactions energy: -77.472
where: short stacking energy: -65.758
Base-Backbone interact. energy: 0.269
local terms energy: -117.605698
where:
bonds (distance) C4'-P energy: -29.994
bonds (distance) P-C4' energy: -25.119
flat angles C4'-P-C4' energy: -40.120
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -11.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -182.563671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.563671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.563671 (E_RNA)
where:
Base-Base interactions energy: -75.014
where: short stacking energy: -53.861
Base-Backbone interact. energy: -0.311
local terms energy: -107.238823
where:
bonds (distance) C4'-P energy: -25.708
bonds (distance) P-C4' energy: -27.612
flat angles C4'-P-C4' energy: -29.644
flat angles P-C4'-P energy: -26.998
tors. eta vs tors. theta energy: 2.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -172.363386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.363386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.363386 (E_RNA)
where:
Base-Base interactions energy: -64.088
where: short stacking energy: -45.686
Base-Backbone interact. energy: 0.970
local terms energy: -109.245559
where:
bonds (distance) C4'-P energy: -41.310
bonds (distance) P-C4' energy: -38.356
flat angles C4'-P-C4' energy: -30.666
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: 12.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -684.123766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.123766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.123766 (E_RNA)
where:
Base-Base interactions energy: -481.574
where: short stacking energy: -212.304
Base-Backbone interact. energy: -0.992
local terms energy: -201.557520
where:
bonds (distance) C4'-P energy: -35.967
bonds (distance) P-C4' energy: -37.084
flat angles C4'-P-C4' energy: -40.965
flat angles P-C4'-P energy: -28.109
tors. eta vs tors. theta energy: -59.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -671.335793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.335793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.335793 (E_RNA)
where:
Base-Base interactions energy: -455.343
where: short stacking energy: -186.067
Base-Backbone interact. energy: -0.303
local terms energy: -215.689475
where:
bonds (distance) C4'-P energy: -40.550
bonds (distance) P-C4' energy: -39.261
flat angles C4'-P-C4' energy: -48.852
flat angles P-C4'-P energy: -23.487
tors. eta vs tors. theta energy: -63.539
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: 3, replica: 7
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -628.823566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.823566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.823566 (E_RNA)
where:
Base-Base interactions energy: -419.703
where: short stacking energy: -185.388
Base-Backbone interact. energy: -0.620
local terms energy: -208.500996
where:
bonds (distance) C4'-P energy: -38.987
bonds (distance) P-C4' energy: -35.566
flat angles C4'-P-C4' energy: -42.637
flat angles P-C4'-P energy: -29.452
tors. eta vs tors. theta energy: -61.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -588.853560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.853560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.853560 (E_RNA)
where:
Base-Base interactions energy: -399.994
where: short stacking energy: -154.515
Base-Backbone interact. energy: -1.500
local terms energy: -187.359938
where:
bonds (distance) C4'-P energy: -29.752
bonds (distance) P-C4' energy: -40.649
flat angles C4'-P-C4' energy: -43.356
flat angles P-C4'-P energy: -27.303
tors. eta vs tors. theta energy: -46.300
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: 9
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -514.210077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.210077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.210077 (E_RNA)
where:
Base-Base interactions energy: -322.671
where: short stacking energy: -149.245
Base-Backbone interact. energy: -0.198
local terms energy: -191.340907
where:
bonds (distance) C4'-P energy: -38.825
bonds (distance) P-C4' energy: -41.006
flat angles C4'-P-C4' energy: -39.014
flat angles P-C4'-P energy: -28.355
tors. eta vs tors. theta energy: -44.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -567.966511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.966511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.966511 (E_RNA)
where:
Base-Base interactions energy: -380.738
where: short stacking energy: -156.885
Base-Backbone interact. energy: -1.485
local terms energy: -185.742831
where:
bonds (distance) C4'-P energy: -41.036
bonds (distance) P-C4' energy: -30.885
flat angles C4'-P-C4' energy: -38.149
flat angles P-C4'-P energy: -27.647
tors. eta vs tors. theta energy: -48.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -523.891187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.891187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.891187 (E_RNA)
where:
Base-Base interactions energy: -342.013
where: short stacking energy: -156.736
Base-Backbone interact. energy: 1.752
local terms energy: -183.630507
where:
bonds (distance) C4'-P energy: -35.194
bonds (distance) P-C4' energy: -34.216
flat angles C4'-P-C4' energy: -41.963
flat angles P-C4'-P energy: -26.127
tors. eta vs tors. theta energy: -46.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -191.186499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.186499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.186499 (E_RNA)
where:
Base-Base interactions energy: -77.229
where: short stacking energy: -42.942
Base-Backbone interact. energy: 0.905
local terms energy: -114.861587
where:
bonds (distance) C4'-P energy: -33.562
bonds (distance) P-C4' energy: -35.395
flat angles C4'-P-C4' energy: -30.621
flat angles P-C4'-P energy: -22.659
tors. eta vs tors. theta energy: 7.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -161.675210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.675210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.675210 (E_RNA)
where:
Base-Base interactions energy: -45.918
where: short stacking energy: -38.142
Base-Backbone interact. energy: -0.504
local terms energy: -115.252566
where:
bonds (distance) C4'-P energy: -30.770
bonds (distance) P-C4' energy: -39.106
flat angles C4'-P-C4' energy: -34.674
flat angles P-C4'-P energy: -19.380
tors. eta vs tors. theta energy: 8.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -169.955942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.955942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.955942 (E_RNA)
where:
Base-Base interactions energy: -63.983
where: short stacking energy: -57.521
Base-Backbone interact. energy: 0.604
local terms energy: -106.576687
where:
bonds (distance) C4'-P energy: -25.305
bonds (distance) P-C4' energy: -35.558
flat angles C4'-P-C4' energy: -24.232
flat angles P-C4'-P energy: -23.551
tors. eta vs tors. theta energy: 2.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -678.568792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.568792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.568792 (E_RNA)
where:
Base-Base interactions energy: -455.976
where: short stacking energy: -194.282
Base-Backbone interact. energy: -0.189
local terms energy: -222.403615
where:
bonds (distance) C4'-P energy: -37.405
bonds (distance) P-C4' energy: -43.705
flat angles C4'-P-C4' energy: -45.751
flat angles P-C4'-P energy: -35.188
tors. eta vs tors. theta energy: -60.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -665.041922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.041922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.041922 (E_RNA)
where:
Base-Base interactions energy: -450.078
where: short stacking energy: -185.758
Base-Backbone interact. energy: -0.274
local terms energy: -214.690126
where:
bonds (distance) C4'-P energy: -36.837
bonds (distance) P-C4' energy: -46.152
flat angles C4'-P-C4' energy: -41.801
flat angles P-C4'-P energy: -30.803
tors. eta vs tors. theta energy: -59.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -614.925986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.925986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.925986 (E_RNA)
where:
Base-Base interactions energy: -426.928
where: short stacking energy: -189.975
Base-Backbone interact. energy: -1.029
local terms energy: -186.969180
where:
bonds (distance) C4'-P energy: -40.372
bonds (distance) P-C4' energy: -29.125
flat angles C4'-P-C4' energy: -35.595
flat angles P-C4'-P energy: -24.158
tors. eta vs tors. theta energy: -57.719
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: 4
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -596.008412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.008412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.008412 (E_RNA)
where:
Base-Base interactions energy: -390.055
where: short stacking energy: -163.898
Base-Backbone interact. energy: -0.866
local terms energy: -205.087780
where:
bonds (distance) C4'-P energy: -44.291
bonds (distance) P-C4' energy: -39.953
flat angles C4'-P-C4' energy: -42.712
flat angles P-C4'-P energy: -26.015
tors. eta vs tors. theta energy: -52.117
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: 5, replica: 9
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -508.945415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.945415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.945415 (E_RNA)
where:
Base-Base interactions energy: -332.720
where: short stacking energy: -150.211
Base-Backbone interact. energy: -0.356
local terms energy: -175.868629
where:
bonds (distance) C4'-P energy: -30.891
bonds (distance) P-C4' energy: -35.505
flat angles C4'-P-C4' energy: -38.672
flat angles P-C4'-P energy: -30.928
tors. eta vs tors. theta energy: -39.874
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: 6, replica: 2
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -532.787518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.787518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.787518 (E_RNA)
where:
Base-Base interactions energy: -337.276
where: short stacking energy: -168.660
Base-Backbone interact. energy: -1.461
local terms energy: -194.050865
where:
bonds (distance) C4'-P energy: -36.953
bonds (distance) P-C4' energy: -30.460
flat angles C4'-P-C4' energy: -43.705
flat angles P-C4'-P energy: -31.026
tors. eta vs tors. theta energy: -51.906
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: 5
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -558.949283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.949283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.949283 (E_RNA)
where:
Base-Base interactions energy: -371.926
where: short stacking energy: -157.680
Base-Backbone interact. energy: -0.170
local terms energy: -186.853162
where:
bonds (distance) C4'-P energy: -33.004
bonds (distance) P-C4' energy: -40.465
flat angles C4'-P-C4' energy: -39.760
flat angles P-C4'-P energy: -25.216
tors. eta vs tors. theta energy: -48.409
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: 6
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -182.537898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.537898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.537898 (E_RNA)
where:
Base-Base interactions energy: -62.295
where: short stacking energy: -52.402
Base-Backbone interact. energy: 1.066
local terms energy: -121.308877
where:
bonds (distance) C4'-P energy: -37.324
bonds (distance) P-C4' energy: -39.780
flat angles C4'-P-C4' energy: -28.566
flat angles P-C4'-P energy: -19.673
tors. eta vs tors. theta energy: 4.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -171.660451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.660451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.660451 (E_RNA)
where:
Base-Base interactions energy: -49.255
where: short stacking energy: -43.981
Base-Backbone interact. energy: -1.228
local terms energy: -121.177330
where:
bonds (distance) C4'-P energy: -38.565
bonds (distance) P-C4' energy: -35.970
flat angles C4'-P-C4' energy: -22.606
flat angles P-C4'-P energy: -25.877
tors. eta vs tors. theta energy: 1.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -166.580443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.580443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.580443 (E_RNA)
where:
Base-Base interactions energy: -67.151
where: short stacking energy: -48.634
Base-Backbone interact. energy: -0.431
local terms energy: -98.998308
where:
bonds (distance) C4'-P energy: -27.457
bonds (distance) P-C4' energy: -35.372
flat angles C4'-P-C4' energy: -24.572
flat angles P-C4'-P energy: -16.900
tors. eta vs tors. theta energy: 5.303
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: 1, replica: 1
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -677.270301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.270301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.270301 (E_RNA)
where:
Base-Base interactions energy: -462.528
where: short stacking energy: -201.038
Base-Backbone interact. energy: -1.050
local terms energy: -213.691976
where:
bonds (distance) C4'-P energy: -40.274
bonds (distance) P-C4' energy: -39.127
flat angles C4'-P-C4' energy: -45.169
flat angles P-C4'-P energy: -27.722
tors. eta vs tors. theta energy: -61.399
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: 3
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -668.366699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.366699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.366699 (E_RNA)
where:
Base-Base interactions energy: -455.141
where: short stacking energy: -180.705
Base-Backbone interact. energy: -0.837
local terms energy: -212.388486
where:
bonds (distance) C4'-P energy: -43.233
bonds (distance) P-C4' energy: -38.390
flat angles C4'-P-C4' energy: -41.564
flat angles P-C4'-P energy: -26.451
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: 3, replica: 4
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -608.615091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.615091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.615091 (E_RNA)
where:
Base-Base interactions energy: -401.403
where: short stacking energy: -156.926
Base-Backbone interact. energy: -0.070
local terms energy: -207.142562
where:
bonds (distance) C4'-P energy: -35.861
bonds (distance) P-C4' energy: -43.721
flat angles C4'-P-C4' energy: -43.728
flat angles P-C4'-P energy: -32.882
tors. eta vs tors. theta energy: -50.950
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: 4, replica: 7
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -575.497298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.497298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.497298 (E_RNA)
where:
Base-Base interactions energy: -379.133
where: short stacking energy: -178.820
Base-Backbone interact. energy: -0.556
local terms energy: -195.808380
where:
bonds (distance) C4'-P energy: -36.435
bonds (distance) P-C4' energy: -42.003
flat angles C4'-P-C4' energy: -41.626
flat angles P-C4'-P energy: -22.203
tors. eta vs tors. theta energy: -53.540
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: 2
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -534.037718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.037718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.037718 (E_RNA)
where:
Base-Base interactions energy: -347.291
where: short stacking energy: -163.655
Base-Backbone interact. energy: -0.077
local terms energy: -186.669202
where:
bonds (distance) C4'-P energy: -33.807
bonds (distance) P-C4' energy: -38.019
flat angles C4'-P-C4' energy: -38.362
flat angles P-C4'-P energy: -27.463
tors. eta vs tors. theta energy: -49.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -481.395653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.395653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.395653 (E_RNA)
where:
Base-Base interactions energy: -299.458
where: short stacking energy: -135.212
Base-Backbone interact. energy: -0.391
local terms energy: -181.546338
where:
bonds (distance) C4'-P energy: -44.251
bonds (distance) P-C4' energy: -44.138
flat angles C4'-P-C4' energy: -36.810
flat angles P-C4'-P energy: -24.074
tors. eta vs tors. theta energy: -32.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -543.926570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.926570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.926570 (E_RNA)
where:
Base-Base interactions energy: -369.956
where: short stacking energy: -152.066
Base-Backbone interact. energy: -0.471
local terms energy: -173.499461
where:
bonds (distance) C4'-P energy: -27.977
bonds (distance) P-C4' energy: -28.468
flat angles C4'-P-C4' energy: -39.932
flat angles P-C4'-P energy: -29.045
tors. eta vs tors. theta energy: -48.078
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: 478
Temperature: 1.250000
Total energy: -209.011282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.011282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.011282 (E_RNA)
where:
Base-Base interactions energy: -73.131
where: short stacking energy: -59.944
Base-Backbone interact. energy: 0.087
local terms energy: -135.966979
where:
bonds (distance) C4'-P energy: -37.277
bonds (distance) P-C4' energy: -43.017
flat angles C4'-P-C4' energy: -31.719
flat angles P-C4'-P energy: -16.770
tors. eta vs tors. theta energy: -7.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -194.608712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.608712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.608712 (E_RNA)
where:
Base-Base interactions energy: -67.120
where: short stacking energy: -55.218
Base-Backbone interact. energy: -0.879
local terms energy: -126.609159
where:
bonds (distance) C4'-P energy: -36.047
bonds (distance) P-C4' energy: -36.187
flat angles C4'-P-C4' energy: -33.258
flat angles P-C4'-P energy: -23.812
tors. eta vs tors. theta energy: 2.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -168.526618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.526618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.526618 (E_RNA)
where:
Base-Base interactions energy: -61.178
where: short stacking energy: -54.543
Base-Backbone interact. energy: -2.320
local terms energy: -105.028284
where:
bonds (distance) C4'-P energy: -30.819
bonds (distance) P-C4' energy: -32.192
flat angles C4'-P-C4' energy: -19.708
flat angles P-C4'-P energy: -16.098
tors. eta vs tors. theta energy: -6.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -682.892103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.892103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.892103 (E_RNA)
where:
Base-Base interactions energy: -463.396
where: short stacking energy: -213.261
Base-Backbone interact. energy: -1.064
local terms energy: -218.432159
where:
bonds (distance) C4'-P energy: -38.378
bonds (distance) P-C4' energy: -40.488
flat angles C4'-P-C4' energy: -44.841
flat angles P-C4'-P energy: -36.982
tors. eta vs tors. theta energy: -57.745
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: 2, replica: 4
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -636.701053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.701053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.701053 (E_RNA)
where:
Base-Base interactions energy: -427.454
where: short stacking energy: -176.808
Base-Backbone interact. energy: -0.153
local terms energy: -209.094447
where:
bonds (distance) C4'-P energy: -29.696
bonds (distance) P-C4' energy: -40.170
flat angles C4'-P-C4' energy: -46.317
flat angles P-C4'-P energy: -29.832
tors. eta vs tors. theta energy: -63.079
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: 479
Temperature: 1.000000
Total energy: -660.997011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.997011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.997011 (E_RNA)
where:
Base-Base interactions energy: -435.453
where: short stacking energy: -185.090
Base-Backbone interact. energy: -0.377
local terms energy: -225.166827
where:
bonds (distance) C4'-P energy: -40.101
bonds (distance) P-C4' energy: -43.333
flat angles C4'-P-C4' energy: -48.071
flat angles P-C4'-P energy: -31.527
tors. eta vs tors. theta energy: -62.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -580.369940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.369940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.369940 (E_RNA)
where:
Base-Base interactions energy: -389.463
where: short stacking energy: -185.064
Base-Backbone interact. energy: -0.238
local terms energy: -190.668668
where:
bonds (distance) C4'-P energy: -38.780
bonds (distance) P-C4' energy: -36.058
flat angles C4'-P-C4' energy: -42.024
flat angles P-C4'-P energy: -20.961
tors. eta vs tors. theta energy: -52.846
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: 2
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -529.976710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.976710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.976710 (E_RNA)
where:
Base-Base interactions energy: -338.455
where: short stacking energy: -149.965
Base-Backbone interact. energy: -0.473
local terms energy: -191.049140
where:
bonds (distance) C4'-P energy: -38.265
bonds (distance) P-C4' energy: -38.349
flat angles C4'-P-C4' energy: -43.711
flat angles P-C4'-P energy: -23.912
tors. eta vs tors. theta energy: -46.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -557.274148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.274148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.274148 (E_RNA)
where:
Base-Base interactions energy: -373.732
where: short stacking energy: -147.233
Base-Backbone interact. energy: -0.556
local terms energy: -182.986735
where:
bonds (distance) C4'-P energy: -32.053
bonds (distance) P-C4' energy: -41.028
flat angles C4'-P-C4' energy: -34.938
flat angles P-C4'-P energy: -30.053
tors. eta vs tors. theta energy: -44.915
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: 9
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -446.767237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.767237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.767237 (E_RNA)
where:
Base-Base interactions energy: -272.797
where: short stacking energy: -131.249
Base-Backbone interact. energy: -0.632
local terms energy: -173.338182
where:
bonds (distance) C4'-P energy: -34.647
bonds (distance) P-C4' energy: -31.148
flat angles C4'-P-C4' energy: -43.189
flat angles P-C4'-P energy: -21.563
tors. eta vs tors. theta energy: -42.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -200.491368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.491368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.491368 (E_RNA)
where:
Base-Base interactions energy: -80.894
where: short stacking energy: -56.440
Base-Backbone interact. energy: -0.239
local terms energy: -119.357527
where:
bonds (distance) C4'-P energy: -28.824
bonds (distance) P-C4' energy: -39.422
flat angles C4'-P-C4' energy: -35.668
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -3.556
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: 10
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -181.726182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.726182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.726182 (E_RNA)
where:
Base-Base interactions energy: -64.549
where: short stacking energy: -53.927
Base-Backbone interact. energy: 2.321
local terms energy: -119.498391
where:
bonds (distance) C4'-P energy: -22.132
bonds (distance) P-C4' energy: -41.054
flat angles C4'-P-C4' energy: -35.495
flat angles P-C4'-P energy: -15.148
tors. eta vs tors. theta energy: -5.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -175.607035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.607035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.607035 (E_RNA)
where:
Base-Base interactions energy: -47.632
where: short stacking energy: -40.269
Base-Backbone interact. energy: -0.541
local terms energy: -127.434176
where:
bonds (distance) C4'-P energy: -37.980
bonds (distance) P-C4' energy: -39.593
flat angles C4'-P-C4' energy: -29.395
flat angles P-C4'-P energy: -28.365
tors. eta vs tors. theta energy: 7.899
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: 4
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -654.648678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.648678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.648678 (E_RNA)
where:
Base-Base interactions energy: -431.579
where: short stacking energy: -172.680
Base-Backbone interact. energy: -0.341
local terms energy: -222.728205
where:
bonds (distance) C4'-P energy: -40.234
bonds (distance) P-C4' energy: -42.816
flat angles C4'-P-C4' energy: -46.887
flat angles P-C4'-P energy: -30.288
tors. eta vs tors. theta energy: -62.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -660.452530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.452530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.452530 (E_RNA)
where:
Base-Base interactions energy: -448.077
where: short stacking energy: -184.709
Base-Backbone interact. energy: -0.479
local terms energy: -211.896415
where:
bonds (distance) C4'-P energy: -39.654
bonds (distance) P-C4' energy: -35.180
flat angles C4'-P-C4' energy: -45.567
flat angles P-C4'-P energy: -31.764
tors. eta vs tors. theta energy: -59.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -654.165247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.165247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.165247 (E_RNA)
where:
Base-Base interactions energy: -458.735
where: short stacking energy: -178.002
Base-Backbone interact. energy: -0.362
local terms energy: -195.067590
where:
bonds (distance) C4'-P energy: -32.947
bonds (distance) P-C4' energy: -43.210
flat angles C4'-P-C4' energy: -42.318
flat angles P-C4'-P energy: -21.634
tors. eta vs tors. theta energy: -54.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -590.165175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.165175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.165175 (E_RNA)
where:
Base-Base interactions energy: -390.632
where: short stacking energy: -189.574
Base-Backbone interact. energy: -0.032
local terms energy: -199.501267
where:
bonds (distance) C4'-P energy: -30.429
bonds (distance) P-C4' energy: -34.546
flat angles C4'-P-C4' energy: -43.557
flat angles P-C4'-P energy: -31.438
tors. eta vs tors. theta energy: -59.531
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: 5
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -585.101488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.101488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.101488 (E_RNA)
where:
Base-Base interactions energy: -403.301
where: short stacking energy: -150.818
Base-Backbone interact. energy: -0.267
local terms energy: -181.534036
where:
bonds (distance) C4'-P energy: -30.121
bonds (distance) P-C4' energy: -36.180
flat angles C4'-P-C4' energy: -35.987
flat angles P-C4'-P energy: -31.873
tors. eta vs tors. theta energy: -47.374
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: 6, replica: 2
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -532.568692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.568692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.568692 (E_RNA)
where:
Base-Base interactions energy: -356.754
where: short stacking energy: -170.215
Base-Backbone interact. energy: -0.837
local terms energy: -174.977855
where:
bonds (distance) C4'-P energy: -22.182
bonds (distance) P-C4' energy: -30.503
flat angles C4'-P-C4' energy: -43.593
flat angles P-C4'-P energy: -28.824
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: 9
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -453.009207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.009207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.009207 (E_RNA)
where:
Base-Base interactions energy: -298.960
where: short stacking energy: -126.752
Base-Backbone interact. energy: 0.397
local terms energy: -154.446580
where:
bonds (distance) C4'-P energy: -30.068
bonds (distance) P-C4' energy: -33.170
flat angles C4'-P-C4' energy: -32.165
flat angles P-C4'-P energy: -26.031
tors. eta vs tors. theta energy: -33.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -194.425557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.425557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.425557 (E_RNA)
where:
Base-Base interactions energy: -75.685
where: short stacking energy: -67.670
Base-Backbone interact. energy: -0.865
local terms energy: -117.876069
where:
bonds (distance) C4'-P energy: -30.881
bonds (distance) P-C4' energy: -36.290
flat angles C4'-P-C4' energy: -25.015
flat angles P-C4'-P energy: -23.295
tors. eta vs tors. theta energy: -2.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -202.257603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.257603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.257603 (E_RNA)
where:
Base-Base interactions energy: -72.121
where: short stacking energy: -68.649
Base-Backbone interact. energy: -0.193
local terms energy: -129.943678
where:
bonds (distance) C4'-P energy: -27.465
bonds (distance) P-C4' energy: -34.875
flat angles C4'-P-C4' energy: -34.430
flat angles P-C4'-P energy: -24.569
tors. eta vs tors. theta energy: -8.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -193.382798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.382798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.382798 (E_RNA)
where:
Base-Base interactions energy: -76.242
where: short stacking energy: -66.302
Base-Backbone interact. energy: -0.519
local terms energy: -116.621543
where:
bonds (distance) C4'-P energy: -32.271
bonds (distance) P-C4' energy: -30.647
flat angles C4'-P-C4' energy: -22.121
flat angles P-C4'-P energy: -23.157
tors. eta vs tors. theta energy: -8.426
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: 1, replica: 4
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -642.494515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.494515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.494515 (E_RNA)
where:
Base-Base interactions energy: -442.918
where: short stacking energy: -177.213
Base-Backbone interact. energy: -0.337
local terms energy: -199.240275
where:
bonds (distance) C4'-P energy: -34.432
bonds (distance) P-C4' energy: -33.030
flat angles C4'-P-C4' energy: -42.860
flat angles P-C4'-P energy: -33.742
tors. eta vs tors. theta energy: -55.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -663.374367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.374367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.374367 (E_RNA)
where:
Base-Base interactions energy: -451.000
where: short stacking energy: -199.122
Base-Backbone interact. energy: 0.612
local terms energy: -212.986278
where:
bonds (distance) C4'-P energy: -36.108
bonds (distance) P-C4' energy: -40.003
flat angles C4'-P-C4' energy: -47.420
flat angles P-C4'-P energy: -33.382
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: 3, replica: 3
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -658.903572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.903572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.903572 (E_RNA)
where:
Base-Base interactions energy: -455.451
where: short stacking energy: -189.869
Base-Backbone interact. energy: -0.290
local terms energy: -203.163356
where:
bonds (distance) C4'-P energy: -38.246
bonds (distance) P-C4' energy: -32.632
flat angles C4'-P-C4' energy: -40.930
flat angles P-C4'-P energy: -34.364
tors. eta vs tors. theta energy: -56.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -606.045433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.045433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.045433 (E_RNA)
where:
Base-Base interactions energy: -420.520
where: short stacking energy: -170.468
Base-Backbone interact. energy: -0.279
local terms energy: -185.247025
where:
bonds (distance) C4'-P energy: -37.729
bonds (distance) P-C4' energy: -37.785
flat angles C4'-P-C4' energy: -35.105
flat angles P-C4'-P energy: -21.941
tors. eta vs tors. theta energy: -52.687
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: 7
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -564.582556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.582556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.582556 (E_RNA)
where:
Base-Base interactions energy: -369.931
where: short stacking energy: -176.251
Base-Backbone interact. energy: -0.160
local terms energy: -194.491330
where:
bonds (distance) C4'-P energy: -33.302
bonds (distance) P-C4' energy: -31.031
flat angles C4'-P-C4' energy: -39.765
flat angles P-C4'-P energy: -29.340
tors. eta vs tors. theta energy: -61.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -545.688094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.688094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.688094 (E_RNA)
where:
Base-Base interactions energy: -351.775
where: short stacking energy: -170.021
Base-Backbone interact. energy: -0.560
local terms energy: -193.352822
where:
bonds (distance) C4'-P energy: -41.013
bonds (distance) P-C4' energy: -36.560
flat angles C4'-P-C4' energy: -33.433
flat angles P-C4'-P energy: -26.548
tors. eta vs tors. theta energy: -55.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -479.717613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.717613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.717613 (E_RNA)
where:
Base-Base interactions energy: -307.763
where: short stacking energy: -130.752
Base-Backbone interact. energy: -0.667
local terms energy: -171.287913
where:
bonds (distance) C4'-P energy: -30.662
bonds (distance) P-C4' energy: -34.950
flat angles C4'-P-C4' energy: -37.307
flat angles P-C4'-P energy: -27.316
tors. eta vs tors. theta energy: -41.053
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: 8, replica: 8
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -231.623986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.623986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.623986 (E_RNA)
where:
Base-Base interactions energy: -103.595
where: short stacking energy: -70.186
Base-Backbone interact. energy: 0.448
local terms energy: -128.477024
where:
bonds (distance) C4'-P energy: -36.128
bonds (distance) P-C4' energy: -29.908
flat angles C4'-P-C4' energy: -27.968
flat angles P-C4'-P energy: -21.649
tors. eta vs tors. theta energy: -12.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -222.557122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.557122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.557122 (E_RNA)
where:
Base-Base interactions energy: -106.984
where: short stacking energy: -53.728
Base-Backbone interact. energy: -1.006
local terms energy: -114.567171
where:
bonds (distance) C4'-P energy: -26.334
bonds (distance) P-C4' energy: -35.889
flat angles C4'-P-C4' energy: -29.460
flat angles P-C4'-P energy: -19.246
tors. eta vs tors. theta energy: -3.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -163.467976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.467976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.467976 (E_RNA)
where:
Base-Base interactions energy: -58.274
where: short stacking energy: -51.248
Base-Backbone interact. energy: -0.765
local terms energy: -104.428541
where:
bonds (distance) C4'-P energy: -32.454
bonds (distance) P-C4' energy: -26.899
flat angles C4'-P-C4' energy: -33.899
flat angles P-C4'-P energy: -17.767
tors. eta vs tors. theta energy: 6.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -682.423953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.423953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.423953 (E_RNA)
where:
Base-Base interactions energy: -471.476
where: short stacking energy: -199.375
Base-Backbone interact. energy: -1.888
local terms energy: -209.060740
where:
bonds (distance) C4'-P energy: -35.498
bonds (distance) P-C4' energy: -41.599
flat angles C4'-P-C4' energy: -44.222
flat angles P-C4'-P energy: -27.154
tors. eta vs tors. theta energy: -60.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -631.807241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.807241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.807241 (E_RNA)
where:
Base-Base interactions energy: -429.815
where: short stacking energy: -182.744
Base-Backbone interact. energy: -0.633
local terms energy: -201.359254
where:
bonds (distance) C4'-P energy: -29.878
bonds (distance) P-C4' energy: -35.656
flat angles C4'-P-C4' energy: -46.133
flat angles P-C4'-P energy: -32.180
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: 3, replica: 3
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -649.770692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.770692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.770692 (E_RNA)
where:
Base-Base interactions energy: -439.029
where: short stacking energy: -180.357
Base-Backbone interact. energy: -0.889
local terms energy: -209.852713
where:
bonds (distance) C4'-P energy: -37.934
bonds (distance) P-C4' energy: -42.007
flat angles C4'-P-C4' energy: -39.593
flat angles P-C4'-P energy: -29.780
tors. eta vs tors. theta energy: -60.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -597.466736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.466736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.466736 (E_RNA)
where:
Base-Base interactions energy: -403.184
where: short stacking energy: -171.017
Base-Backbone interact. energy: -0.996
local terms energy: -193.286783
where:
bonds (distance) C4'-P energy: -39.259
bonds (distance) P-C4' energy: -34.768
flat angles C4'-P-C4' energy: -35.493
flat angles P-C4'-P energy: -30.410
tors. eta vs tors. theta energy: -53.356
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: 2
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -541.401281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.401281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.401281 (E_RNA)
where:
Base-Base interactions energy: -347.554
where: short stacking energy: -159.517
Base-Backbone interact. energy: -0.285
local terms energy: -193.562024
where:
bonds (distance) C4'-P energy: -38.454
bonds (distance) P-C4' energy: -44.447
flat angles C4'-P-C4' energy: -39.220
flat angles P-C4'-P energy: -22.346
tors. eta vs tors. theta energy: -49.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -543.608421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.608421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.608421 (E_RNA)
where:
Base-Base interactions energy: -354.312
where: short stacking energy: -162.153
Base-Backbone interact. energy: -1.251
local terms energy: -188.045482
where:
bonds (distance) C4'-P energy: -35.665
bonds (distance) P-C4' energy: -34.709
flat angles C4'-P-C4' energy: -46.802
flat angles P-C4'-P energy: -20.530
tors. eta vs tors. theta energy: -50.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -459.850126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.850126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.850126 (E_RNA)
where:
Base-Base interactions energy: -305.197
where: short stacking energy: -130.411
Base-Backbone interact. energy: 0.629
local terms energy: -155.282144
where:
bonds (distance) C4'-P energy: -26.779
bonds (distance) P-C4' energy: -36.821
flat angles C4'-P-C4' energy: -33.640
flat angles P-C4'-P energy: -28.659
tors. eta vs tors. theta energy: -29.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -256.583384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.583384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.583384 (E_RNA)
where:
Base-Base interactions energy: -108.715
where: short stacking energy: -69.000
Base-Backbone interact. energy: 1.375
local terms energy: -149.243716
where:
bonds (distance) C4'-P energy: -38.479
bonds (distance) P-C4' energy: -41.908
flat angles C4'-P-C4' energy: -32.938
flat angles P-C4'-P energy: -22.436
tors. eta vs tors. theta energy: -13.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -184.626477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.626477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.626477 (E_RNA)
where:
Base-Base interactions energy: -59.040
where: short stacking energy: -53.574
Base-Backbone interact. energy: -0.531
local terms energy: -125.055924
where:
bonds (distance) C4'-P energy: -33.198
bonds (distance) P-C4' energy: -39.895
flat angles C4'-P-C4' energy: -26.644
flat angles P-C4'-P energy: -22.511
tors. eta vs tors. theta energy: -2.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -160.374281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.374281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.374281 (E_RNA)
where:
Base-Base interactions energy: -60.190
where: short stacking energy: -36.823
Base-Backbone interact. energy: 3.344
local terms energy: -103.528367
where:
bonds (distance) C4'-P energy: -43.274
bonds (distance) P-C4' energy: -28.440
flat angles C4'-P-C4' energy: -26.231
flat angles P-C4'-P energy: -16.867
tors. eta vs tors. theta energy: 11.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -685.824112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.824112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.824112 (E_RNA)
where:
Base-Base interactions energy: -470.430
where: short stacking energy: -202.600
Base-Backbone interact. energy: -0.845
local terms energy: -214.548454
where:
bonds (distance) C4'-P energy: -40.717
bonds (distance) P-C4' energy: -38.965
flat angles C4'-P-C4' energy: -46.246
flat angles P-C4'-P energy: -29.386
tors. eta vs tors. theta energy: -59.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -673.942081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.942081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.942081 (E_RNA)
where:
Base-Base interactions energy: -461.408
where: short stacking energy: -193.700
Base-Backbone interact. energy: -0.158
local terms energy: -212.375992
where:
bonds (distance) C4'-P energy: -38.609
bonds (distance) P-C4' energy: -40.064
flat angles C4'-P-C4' energy: -43.507
flat angles P-C4'-P energy: -25.886
tors. eta vs tors. theta energy: -64.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -602.955679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.955679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.955679 (E_RNA)
where:
Base-Base interactions energy: -403.484
where: short stacking energy: -174.292
Base-Backbone interact. energy: -1.591
local terms energy: -197.880223
where:
bonds (distance) C4'-P energy: -37.572
bonds (distance) P-C4' energy: -35.537
flat angles C4'-P-C4' energy: -41.608
flat angles P-C4'-P energy: -30.521
tors. eta vs tors. theta energy: -52.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -615.798573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.798573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.798573 (E_RNA)
where:
Base-Base interactions energy: -411.407
where: short stacking energy: -180.580
Base-Backbone interact. energy: -0.911
local terms energy: -203.480871
where:
bonds (distance) C4'-P energy: -40.452
bonds (distance) P-C4' energy: -37.558
flat angles C4'-P-C4' energy: -44.532
flat angles P-C4'-P energy: -23.695
tors. eta vs tors. theta energy: -57.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -547.316807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.316807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.316807 (E_RNA)
where:
Base-Base interactions energy: -351.917
where: short stacking energy: -165.876
Base-Backbone interact. energy: -0.204
local terms energy: -195.195726
where:
bonds (distance) C4'-P energy: -39.486
bonds (distance) P-C4' energy: -40.092
flat angles C4'-P-C4' energy: -33.480
flat angles P-C4'-P energy: -30.170
tors. eta vs tors. theta energy: -51.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -550.964452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.964452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.964452 (E_RNA)
where:
Base-Base interactions energy: -354.860
where: short stacking energy: -165.447
Base-Backbone interact. energy: 1.179
local terms energy: -197.284008
where:
bonds (distance) C4'-P energy: -32.875
bonds (distance) P-C4' energy: -37.472
flat angles C4'-P-C4' energy: -48.265
flat angles P-C4'-P energy: -28.414
tors. eta vs tors. theta energy: -50.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -435.675653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.675653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.675653 (E_RNA)
where:
Base-Base interactions energy: -281.600
where: short stacking energy: -123.298
Base-Backbone interact. energy: -0.377
local terms energy: -153.698151
where:
bonds (distance) C4'-P energy: -34.224
bonds (distance) P-C4' energy: -33.277
flat angles C4'-P-C4' energy: -40.832
flat angles P-C4'-P energy: -20.763
tors. eta vs tors. theta energy: -24.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -206.100559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.100559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.100559 (E_RNA)
where:
Base-Base interactions energy: -76.766
where: short stacking energy: -69.012
Base-Backbone interact. energy: -0.186
local terms energy: -129.148840
where:
bonds (distance) C4'-P energy: -35.278
bonds (distance) P-C4' energy: -36.403
flat angles C4'-P-C4' energy: -35.510
flat angles P-C4'-P energy: -15.339
tors. eta vs tors. theta energy: -6.619
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: 8
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -204.668159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.668159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.668159 (E_RNA)
where:
Base-Base interactions energy: -78.288
where: short stacking energy: -65.211
Base-Backbone interact. energy: 1.811
local terms energy: -128.190807
where:
bonds (distance) C4'-P energy: -31.626
bonds (distance) P-C4' energy: -40.168
flat angles C4'-P-C4' energy: -26.699
flat angles P-C4'-P energy: -21.425
tors. eta vs tors. theta energy: -8.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -169.182532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.182532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.182532 (E_RNA)
where:
Base-Base interactions energy: -46.906
where: short stacking energy: -36.464
Base-Backbone interact. energy: -1.987
local terms energy: -120.289092
where:
bonds (distance) C4'-P energy: -38.598
bonds (distance) P-C4' energy: -32.779
flat angles C4'-P-C4' energy: -31.105
flat angles P-C4'-P energy: -19.718
tors. eta vs tors. theta energy: 1.911
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: 484
Temperature: 0.900000
Total energy: -665.040083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.040083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.040083 (E_RNA)
where:
Base-Base interactions energy: -449.286
where: short stacking energy: -198.351
Base-Backbone interact. energy: -0.546
local terms energy: -215.208094
where:
bonds (distance) C4'-P energy: -40.598
bonds (distance) P-C4' energy: -41.518
flat angles C4'-P-C4' energy: -44.649
flat angles P-C4'-P energy: -30.794
tors. eta vs tors. theta energy: -57.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -676.958297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.958297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.958297 (E_RNA)
where:
Base-Base interactions energy: -463.509
where: short stacking energy: -187.840
Base-Backbone interact. energy: 0.286
local terms energy: -213.735567
where:
bonds (distance) C4'-P energy: -43.636
bonds (distance) P-C4' energy: -33.384
flat angles C4'-P-C4' energy: -43.464
flat angles P-C4'-P energy: -29.097
tors. eta vs tors. theta energy: -64.155
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: 4
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -609.318074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.318074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.318074 (E_RNA)
where:
Base-Base interactions energy: -409.202
where: short stacking energy: -179.165
Base-Backbone interact. energy: -0.394
local terms energy: -199.721720
where:
bonds (distance) C4'-P energy: -37.940
bonds (distance) P-C4' energy: -38.699
flat angles C4'-P-C4' energy: -40.294
flat angles P-C4'-P energy: -29.492
tors. eta vs tors. theta energy: -53.296
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: 5
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -618.746552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.746552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.746552 (E_RNA)
where:
Base-Base interactions energy: -437.064
where: short stacking energy: -179.127
Base-Backbone interact. energy: -0.530
local terms energy: -181.152734
where:
bonds (distance) C4'-P energy: -34.574
bonds (distance) P-C4' energy: -35.536
flat angles C4'-P-C4' energy: -37.912
flat angles P-C4'-P energy: -19.429
tors. eta vs tors. theta energy: -53.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -545.238855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.238855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.238855 (E_RNA)
where:
Base-Base interactions energy: -354.101
where: short stacking energy: -163.989
Base-Backbone interact. energy: -0.497
local terms energy: -190.641239
where:
bonds (distance) C4'-P energy: -38.693
bonds (distance) P-C4' energy: -37.684
flat angles C4'-P-C4' energy: -38.831
flat angles P-C4'-P energy: -23.743
tors. eta vs tors. theta energy: -51.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -541.196378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.196378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.196378 (E_RNA)
where:
Base-Base interactions energy: -338.730
where: short stacking energy: -158.508
Base-Backbone interact. energy: -0.783
local terms energy: -201.683604
where:
bonds (distance) C4'-P energy: -41.312
bonds (distance) P-C4' energy: -36.509
flat angles C4'-P-C4' energy: -37.791
flat angles P-C4'-P energy: -30.647
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: 7, replica: 9
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -437.090353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.090353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.090353 (E_RNA)
where:
Base-Base interactions energy: -278.091
where: short stacking energy: -114.242
Base-Backbone interact. energy: -1.462
local terms energy: -157.537786
where:
bonds (distance) C4'-P energy: -34.493
bonds (distance) P-C4' energy: -31.996
flat angles C4'-P-C4' energy: -37.711
flat angles P-C4'-P energy: -28.914
tors. eta vs tors. theta energy: -24.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -194.376830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.376830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.376830 (E_RNA)
where:
Base-Base interactions energy: -88.099
where: short stacking energy: -43.513
Base-Backbone interact. energy: 2.262
local terms energy: -108.539425
where:
bonds (distance) C4'-P energy: -27.457
bonds (distance) P-C4' energy: -40.670
flat angles C4'-P-C4' energy: -28.588
flat angles P-C4'-P energy: -20.933
tors. eta vs tors. theta energy: 9.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -189.028884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.028884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.028884 (E_RNA)
where:
Base-Base interactions energy: -93.778
where: short stacking energy: -39.696
Base-Backbone interact. energy: 0.306
local terms energy: -95.557510
where:
bonds (distance) C4'-P energy: -36.134
bonds (distance) P-C4' energy: -34.275
flat angles C4'-P-C4' energy: -26.297
flat angles P-C4'-P energy: -17.318
tors. eta vs tors. theta energy: 18.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -176.814526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.814526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.814526 (E_RNA)
where:
Base-Base interactions energy: -61.433
where: short stacking energy: -46.066
Base-Backbone interact. energy: 3.571
local terms energy: -118.952196
where:
bonds (distance) C4'-P energy: -33.136
bonds (distance) P-C4' energy: -35.586
flat angles C4'-P-C4' energy: -22.948
flat angles P-C4'-P energy: -26.667
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: 1
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -683.836204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.836204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.836204 (E_RNA)
where:
Base-Base interactions energy: -465.948
where: short stacking energy: -198.831
Base-Backbone interact. energy: -0.915
local terms energy: -216.972808
where:
bonds (distance) C4'-P energy: -45.735
bonds (distance) P-C4' energy: -37.691
flat angles C4'-P-C4' energy: -43.751
flat angles P-C4'-P energy: -32.197
tors. eta vs tors. theta energy: -57.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -678.244997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.244997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.244997 (E_RNA)
where:
Base-Base interactions energy: -459.988
where: short stacking energy: -187.565
Base-Backbone interact. energy: -0.634
local terms energy: -217.623361
where:
bonds (distance) C4'-P energy: -41.778
bonds (distance) P-C4' energy: -41.464
flat angles C4'-P-C4' energy: -43.076
flat angles P-C4'-P energy: -27.381
tors. eta vs tors. theta energy: -63.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -613.094501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.094501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.094501 (E_RNA)
where:
Base-Base interactions energy: -411.532
where: short stacking energy: -171.462
Base-Backbone interact. energy: 0.838
local terms energy: -202.400715
where:
bonds (distance) C4'-P energy: -36.928
bonds (distance) P-C4' energy: -40.535
flat angles C4'-P-C4' energy: -39.029
flat angles P-C4'-P energy: -29.480
tors. eta vs tors. theta energy: -56.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -604.244146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.244146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.244146 (E_RNA)
where:
Base-Base interactions energy: -419.953
where: short stacking energy: -170.609
Base-Backbone interact. energy: -1.146
local terms energy: -183.144998
where:
bonds (distance) C4'-P energy: -31.588
bonds (distance) P-C4' energy: -36.300
flat angles C4'-P-C4' energy: -41.792
flat angles P-C4'-P energy: -29.893
tors. eta vs tors. theta energy: -43.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -559.655445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.655445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.655445 (E_RNA)
where:
Base-Base interactions energy: -366.238
where: short stacking energy: -174.280
Base-Backbone interact. energy: -0.383
local terms energy: -193.034891
where:
bonds (distance) C4'-P energy: -30.230
bonds (distance) P-C4' energy: -38.575
flat angles C4'-P-C4' energy: -43.051
flat angles P-C4'-P energy: -30.338
tors. eta vs tors. theta energy: -50.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -528.443695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.443695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.443695 (E_RNA)
where:
Base-Base interactions energy: -342.812
where: short stacking energy: -161.336
Base-Backbone interact. energy: -0.280
local terms energy: -185.351428
where:
bonds (distance) C4'-P energy: -36.743
bonds (distance) P-C4' energy: -31.998
flat angles C4'-P-C4' energy: -41.038
flat angles P-C4'-P energy: -23.872
tors. eta vs tors. theta energy: -51.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -423.638021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.638021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.638021 (E_RNA)
where:
Base-Base interactions energy: -255.758
where: short stacking energy: -110.022
Base-Backbone interact. energy: 0.134
local terms energy: -168.013888
where:
bonds (distance) C4'-P energy: -40.432
bonds (distance) P-C4' energy: -37.132
flat angles C4'-P-C4' energy: -35.307
flat angles P-C4'-P energy: -28.390
tors. eta vs tors. theta energy: -26.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -226.868256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.868256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.868256 (E_RNA)
where:
Base-Base interactions energy: -103.080
where: short stacking energy: -71.801
Base-Backbone interact. energy: -0.491
local terms energy: -123.296480
where:
bonds (distance) C4'-P energy: -38.237
bonds (distance) P-C4' energy: -30.299
flat angles C4'-P-C4' energy: -33.001
flat angles P-C4'-P energy: -17.180
tors. eta vs tors. theta energy: -4.579
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: 8
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -205.884551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.884551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.884551 (E_RNA)
where:
Base-Base interactions energy: -96.311
where: short stacking energy: -57.261
Base-Backbone interact. energy: 0.626
local terms energy: -110.199266
where:
bonds (distance) C4'-P energy: -22.665
bonds (distance) P-C4' energy: -38.970
flat angles C4'-P-C4' energy: -28.453
flat angles P-C4'-P energy: -17.090
tors. eta vs tors. theta energy: -3.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -167.849112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.849112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.849112 (E_RNA)
where:
Base-Base interactions energy: -54.874
where: short stacking energy: -39.161
Base-Backbone interact. energy: -0.477
local terms energy: -112.498126
where:
bonds (distance) C4'-P energy: -30.905
bonds (distance) P-C4' energy: -36.342
flat angles C4'-P-C4' energy: -27.372
flat angles P-C4'-P energy: -16.699
tors. eta vs tors. theta energy: -1.180
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: 1, replica: 3
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -680.749293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.749293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.749293 (E_RNA)
where:
Base-Base interactions energy: -462.350
where: short stacking energy: -192.514
Base-Backbone interact. energy: -0.384
local terms energy: -218.015515
where:
bonds (distance) C4'-P energy: -40.314
bonds (distance) P-C4' energy: -39.679
flat angles C4'-P-C4' energy: -44.457
flat angles P-C4'-P energy: -29.471
tors. eta vs tors. theta energy: -64.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -667.398566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.398566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.398566 (E_RNA)
where:
Base-Base interactions energy: -460.451
where: short stacking energy: -196.568
Base-Backbone interact. energy: -1.635
local terms energy: -205.311931
where:
bonds (distance) C4'-P energy: -34.350
bonds (distance) P-C4' energy: -40.176
flat angles C4'-P-C4' energy: -48.607
flat angles P-C4'-P energy: -23.329
tors. eta vs tors. theta energy: -58.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -624.370557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.370557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.370557 (E_RNA)
where:
Base-Base interactions energy: -416.627
where: short stacking energy: -181.466
Base-Backbone interact. energy: -0.275
local terms energy: -207.468514
where:
bonds (distance) C4'-P energy: -36.319
bonds (distance) P-C4' energy: -40.099
flat angles C4'-P-C4' energy: -42.068
flat angles P-C4'-P energy: -30.732
tors. eta vs tors. theta energy: -58.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -606.966121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.966121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.966121 (E_RNA)
where:
Base-Base interactions energy: -423.002
where: short stacking energy: -189.049
Base-Backbone interact. energy: -0.119
local terms energy: -183.844655
where:
bonds (distance) C4'-P energy: -27.359
bonds (distance) P-C4' energy: -33.104
flat angles C4'-P-C4' energy: -38.829
flat angles P-C4'-P energy: -27.993
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: 2
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -543.211914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.211914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.211914 (E_RNA)
where:
Base-Base interactions energy: -347.384
where: short stacking energy: -173.687
Base-Backbone interact. energy: -0.954
local terms energy: -194.873867
where:
bonds (distance) C4'-P energy: -36.401
bonds (distance) P-C4' energy: -36.543
flat angles C4'-P-C4' energy: -39.939
flat angles P-C4'-P energy: -26.908
tors. eta vs tors. theta energy: -55.083
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: 7
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -536.063559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.063559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.063559 (E_RNA)
where:
Base-Base interactions energy: -343.790
where: short stacking energy: -159.538
Base-Backbone interact. energy: -0.437
local terms energy: -191.836786
where:
bonds (distance) C4'-P energy: -27.322
bonds (distance) P-C4' energy: -40.429
flat angles C4'-P-C4' energy: -46.636
flat angles P-C4'-P energy: -21.188
tors. eta vs tors. theta energy: -56.262
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: 7, replica: 9
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -440.346379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.346379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.346379 (E_RNA)
where:
Base-Base interactions energy: -288.271
where: short stacking energy: -138.410
Base-Backbone interact. energy: -1.221
local terms energy: -150.854354
where:
bonds (distance) C4'-P energy: -37.297
bonds (distance) P-C4' energy: -28.473
flat angles C4'-P-C4' energy: -28.811
flat angles P-C4'-P energy: -24.288
tors. eta vs tors. theta energy: -31.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -185.449045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.449045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.449045 (E_RNA)
where:
Base-Base interactions energy: -62.438
where: short stacking energy: -47.369
Base-Backbone interact. energy: -1.163
local terms energy: -121.848387
where:
bonds (distance) C4'-P energy: -37.285
bonds (distance) P-C4' energy: -38.305
flat angles C4'-P-C4' energy: -33.175
flat angles P-C4'-P energy: -23.604
tors. eta vs tors. theta energy: 10.520
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: 486
Temperature: 1.300000
Total energy: -191.493502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.493502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.493502 (E_RNA)
where:
Base-Base interactions energy: -87.739
where: short stacking energy: -47.888
Base-Backbone interact. energy: -1.117
local terms energy: -102.637923
where:
bonds (distance) C4'-P energy: -28.516
bonds (distance) P-C4' energy: -43.665
flat angles C4'-P-C4' energy: -21.930
flat angles P-C4'-P energy: -16.133
tors. eta vs tors. theta energy: 7.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -173.211822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.211822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.211822 (E_RNA)
where:
Base-Base interactions energy: -61.102
where: short stacking energy: -50.318
Base-Backbone interact. energy: -0.382
local terms energy: -111.727822
where:
bonds (distance) C4'-P energy: -35.963
bonds (distance) P-C4' energy: -35.888
flat angles C4'-P-C4' energy: -24.681
flat angles P-C4'-P energy: -15.803
tors. eta vs tors. theta energy: 0.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -687.640398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.640398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.640398 (E_RNA)
where:
Base-Base interactions energy: -463.530
where: short stacking energy: -194.680
Base-Backbone interact. energy: -1.403
local terms energy: -222.706697
where:
bonds (distance) C4'-P energy: -41.835
bonds (distance) P-C4' energy: -39.428
flat angles C4'-P-C4' energy: -43.701
flat angles P-C4'-P energy: -36.508
tors. eta vs tors. theta energy: -61.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -667.790624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.790624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.790624 (E_RNA)
where:
Base-Base interactions energy: -474.844
where: short stacking energy: -201.784
Base-Backbone interact. energy: 2.572
local terms energy: -195.518630
where:
bonds (distance) C4'-P energy: -33.262
bonds (distance) P-C4' energy: -35.361
flat angles C4'-P-C4' energy: -44.583
flat angles P-C4'-P energy: -22.053
tors. eta vs tors. theta energy: -60.259
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: 3, replica: 4
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -608.266233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.266233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.266233 (E_RNA)
where:
Base-Base interactions energy: -410.468
where: short stacking energy: -188.547
Base-Backbone interact. energy: 0.440
local terms energy: -198.238257
where:
bonds (distance) C4'-P energy: -32.593
bonds (distance) P-C4' energy: -35.829
flat angles C4'-P-C4' energy: -43.410
flat angles P-C4'-P energy: -30.806
tors. eta vs tors. theta energy: -55.600
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: 487
Temperature: 1.050000
Total energy: -602.407110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.407110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.407110 (E_RNA)
where:
Base-Base interactions energy: -417.222
where: short stacking energy: -173.992
Base-Backbone interact. energy: -1.062
local terms energy: -184.123351
where:
bonds (distance) C4'-P energy: -36.665
bonds (distance) P-C4' energy: -38.314
flat angles C4'-P-C4' energy: -35.437
flat angles P-C4'-P energy: -23.419
tors. eta vs tors. theta energy: -50.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -537.551943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.551943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.551943 (E_RNA)
where:
Base-Base interactions energy: -333.305
where: short stacking energy: -162.552
Base-Backbone interact. energy: -0.522
local terms energy: -203.724862
where:
bonds (distance) C4'-P energy: -42.501
bonds (distance) P-C4' energy: -36.987
flat angles C4'-P-C4' energy: -41.372
flat angles P-C4'-P energy: -31.398
tors. eta vs tors. theta energy: -51.467
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: 7
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -527.045944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.045944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.045944 (E_RNA)
where:
Base-Base interactions energy: -342.569
where: short stacking energy: -161.624
Base-Backbone interact. energy: 3.183
local terms energy: -187.659630
where:
bonds (distance) C4'-P energy: -40.149
bonds (distance) P-C4' energy: -37.720
flat angles C4'-P-C4' energy: -38.707
flat angles P-C4'-P energy: -25.979
tors. eta vs tors. theta energy: -45.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -459.837252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.837252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.837252 (E_RNA)
where:
Base-Base interactions energy: -271.624
where: short stacking energy: -131.218
Base-Backbone interact. energy: -0.795
local terms energy: -187.418044
where:
bonds (distance) C4'-P energy: -41.432
bonds (distance) P-C4' energy: -36.041
flat angles C4'-P-C4' energy: -43.855
flat angles P-C4'-P energy: -28.039
tors. eta vs tors. theta energy: -38.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -195.126614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.126614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.126614 (E_RNA)
where:
Base-Base interactions energy: -78.428
where: short stacking energy: -61.518
Base-Backbone interact. energy: 1.115
local terms energy: -117.813606
where:
bonds (distance) C4'-P energy: -30.789
bonds (distance) P-C4' energy: -37.742
flat angles C4'-P-C4' energy: -32.085
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -3.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -171.244867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.244867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.244867 (E_RNA)
where:
Base-Base interactions energy: -63.179
where: short stacking energy: -60.655
Base-Backbone interact. energy: 2.806
local terms energy: -110.872170
where:
bonds (distance) C4'-P energy: -31.256
bonds (distance) P-C4' energy: -31.564
flat angles C4'-P-C4' energy: -27.783
flat angles P-C4'-P energy: -24.807
tors. eta vs tors. theta energy: 4.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -182.413586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.413586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.413586 (E_RNA)
where:
Base-Base interactions energy: -60.461
where: short stacking energy: -49.334
Base-Backbone interact. energy: -1.087
local terms energy: -120.865634
where:
bonds (distance) C4'-P energy: -35.408
bonds (distance) P-C4' energy: -40.367
flat angles C4'-P-C4' energy: -31.300
flat angles P-C4'-P energy: -18.031
tors. eta vs tors. theta energy: 4.240
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: 1, replica: 1
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -687.931288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.931288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.931288 (E_RNA)
where:
Base-Base interactions energy: -465.990
where: short stacking energy: -212.554
Base-Backbone interact. energy: 0.913
local terms energy: -222.854193
where:
bonds (distance) C4'-P energy: -35.993
bonds (distance) P-C4' energy: -45.374
flat angles C4'-P-C4' energy: -45.711
flat angles P-C4'-P energy: -31.498
tors. eta vs tors. theta energy: -64.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -668.663684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.663684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.663684 (E_RNA)
where:
Base-Base interactions energy: -463.726
where: short stacking energy: -195.821
Base-Backbone interact. energy: -0.462
local terms energy: -204.475237
where:
bonds (distance) C4'-P energy: -39.937
bonds (distance) P-C4' energy: -35.907
flat angles C4'-P-C4' energy: -39.508
flat angles P-C4'-P energy: -28.852
tors. eta vs tors. theta energy: -60.272
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: 3, replica: 5
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -634.730530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.730530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.730530 (E_RNA)
where:
Base-Base interactions energy: -435.676
where: short stacking energy: -168.862
Base-Backbone interact. energy: 0.668
local terms energy: -199.722084
where:
bonds (distance) C4'-P energy: -31.417
bonds (distance) P-C4' energy: -41.683
flat angles C4'-P-C4' energy: -46.381
flat angles P-C4'-P energy: -27.320
tors. eta vs tors. theta energy: -52.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -592.732744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.732744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.732744 (E_RNA)
where:
Base-Base interactions energy: -389.500
where: short stacking energy: -166.102
Base-Backbone interact. energy: -0.123
local terms energy: -203.110465
where:
bonds (distance) C4'-P energy: -37.666
bonds (distance) P-C4' energy: -39.793
flat angles C4'-P-C4' energy: -42.714
flat angles P-C4'-P energy: -27.853
tors. eta vs tors. theta energy: -55.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -556.816787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.816787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.816787 (E_RNA)
where:
Base-Base interactions energy: -358.739
where: short stacking energy: -163.948
Base-Backbone interact. energy: 0.310
local terms energy: -198.387851
where:
bonds (distance) C4'-P energy: -33.075
bonds (distance) P-C4' energy: -43.892
flat angles C4'-P-C4' energy: -32.843
flat angles P-C4'-P energy: -34.323
tors. eta vs tors. theta energy: -54.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -530.210558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.210558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.210558 (E_RNA)
where:
Base-Base interactions energy: -340.619
where: short stacking energy: -160.905
Base-Backbone interact. energy: -0.687
local terms energy: -188.904463
where:
bonds (distance) C4'-P energy: -33.203
bonds (distance) P-C4' energy: -30.665
flat angles C4'-P-C4' energy: -44.067
flat angles P-C4'-P energy: -30.081
tors. eta vs tors. theta energy: -50.890
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: 9
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -475.608425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.608425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.608425 (E_RNA)
where:
Base-Base interactions energy: -306.435
where: short stacking energy: -131.134
Base-Backbone interact. energy: -0.386
local terms energy: -168.787323
where:
bonds (distance) C4'-P energy: -31.774
bonds (distance) P-C4' energy: -35.254
flat angles C4'-P-C4' energy: -37.216
flat angles P-C4'-P energy: -22.959
tors. eta vs tors. theta energy: -41.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -193.754196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.754196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.754196 (E_RNA)
where:
Base-Base interactions energy: -75.592
where: short stacking energy: -61.602
Base-Backbone interact. energy: -0.778
local terms energy: -117.384357
where:
bonds (distance) C4'-P energy: -35.749
bonds (distance) P-C4' energy: -31.092
flat angles C4'-P-C4' energy: -26.616
flat angles P-C4'-P energy: -20.785
tors. eta vs tors. theta energy: -3.141
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: 8
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -176.611353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.611353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.611353 (E_RNA)
where:
Base-Base interactions energy: -59.631
where: short stacking energy: -41.031
Base-Backbone interact. energy: -0.766
local terms energy: -116.214359
where:
bonds (distance) C4'-P energy: -33.458
bonds (distance) P-C4' energy: -36.833
flat angles C4'-P-C4' energy: -27.817
flat angles P-C4'-P energy: -19.047
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: 10
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -183.002832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.002832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.002832 (E_RNA)
where:
Base-Base interactions energy: -62.269
where: short stacking energy: -59.701
Base-Backbone interact. energy: -1.282
local terms energy: -119.451898
where:
bonds (distance) C4'-P energy: -34.822
bonds (distance) P-C4' energy: -30.436
flat angles C4'-P-C4' energy: -34.695
flat angles P-C4'-P energy: -16.566
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: 489
Temperature: 0.900000
Total energy: -690.931728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.931728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.931728 (E_RNA)
where:
Base-Base interactions energy: -471.252
where: short stacking energy: -208.375
Base-Backbone interact. energy: 0.727
local terms energy: -220.406174
where:
bonds (distance) C4'-P energy: -34.688
bonds (distance) P-C4' energy: -41.756
flat angles C4'-P-C4' energy: -46.579
flat angles P-C4'-P energy: -35.054
tors. eta vs tors. theta energy: -62.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -670.030599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.030599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.030599 (E_RNA)
where:
Base-Base interactions energy: -453.022
where: short stacking energy: -188.168
Base-Backbone interact. energy: -0.420
local terms energy: -216.588427
where:
bonds (distance) C4'-P energy: -37.154
bonds (distance) P-C4' energy: -44.270
flat angles C4'-P-C4' energy: -40.587
flat angles P-C4'-P energy: -31.584
tors. eta vs tors. theta energy: -62.994
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: 3, replica: 5
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -643.812741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.812741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.812741 (E_RNA)
where:
Base-Base interactions energy: -435.285
where: short stacking energy: -182.621
Base-Backbone interact. energy: -1.471
local terms energy: -207.057199
where:
bonds (distance) C4'-P energy: -42.105
bonds (distance) P-C4' energy: -37.894
flat angles C4'-P-C4' energy: -43.956
flat angles P-C4'-P energy: -28.595
tors. eta vs tors. theta energy: -54.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -560.898169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.898169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.898169 (E_RNA)
where:
Base-Base interactions energy: -353.298
where: short stacking energy: -170.497
Base-Backbone interact. energy: -0.243
local terms energy: -207.357150
where:
bonds (distance) C4'-P energy: -41.181
bonds (distance) P-C4' energy: -41.010
flat angles C4'-P-C4' energy: -46.435
flat angles P-C4'-P energy: -25.638
tors. eta vs tors. theta energy: -53.093
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: 4
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -570.230559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.230559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.230559 (E_RNA)
where:
Base-Base interactions energy: -373.273
where: short stacking energy: -159.142
Base-Backbone interact. energy: 1.308
local terms energy: -198.265890
where:
bonds (distance) C4'-P energy: -34.483
bonds (distance) P-C4' energy: -44.155
flat angles C4'-P-C4' energy: -42.644
flat angles P-C4'-P energy: -25.700
tors. eta vs tors. theta energy: -51.284
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: 7
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -540.373384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.373384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.373384 (E_RNA)
where:
Base-Base interactions energy: -340.285
where: short stacking energy: -154.453
Base-Backbone interact. energy: -0.495
local terms energy: -199.593157
where:
bonds (distance) C4'-P energy: -35.707
bonds (distance) P-C4' energy: -43.151
flat angles C4'-P-C4' energy: -40.389
flat angles P-C4'-P energy: -31.191
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: 9
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -446.273207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.273207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.273207 (E_RNA)
where:
Base-Base interactions energy: -288.556
where: short stacking energy: -122.169
Base-Backbone interact. energy: 0.229
local terms energy: -157.946262
where:
bonds (distance) C4'-P energy: -32.765
bonds (distance) P-C4' energy: -29.433
flat angles C4'-P-C4' energy: -40.296
flat angles P-C4'-P energy: -22.587
tors. eta vs tors. theta energy: -32.865
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: 489
Temperature: 1.250000
Total energy: -197.637662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.637662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.637662 (E_RNA)
where:
Base-Base interactions energy: -85.798
where: short stacking energy: -69.406
Base-Backbone interact. energy: 3.118
local terms energy: -114.958225
where:
bonds (distance) C4'-P energy: -31.445
bonds (distance) P-C4' energy: -29.369
flat angles C4'-P-C4' energy: -28.620
flat angles P-C4'-P energy: -20.092
tors. eta vs tors. theta energy: -5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -166.285908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.285908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.285908 (E_RNA)
where:
Base-Base interactions energy: -41.473
where: short stacking energy: -36.023
Base-Backbone interact. energy: 0.359
local terms energy: -125.171902
where:
bonds (distance) C4'-P energy: -38.361
bonds (distance) P-C4' energy: -40.107
flat angles C4'-P-C4' energy: -31.689
flat angles P-C4'-P energy: -27.211
tors. eta vs tors. theta energy: 12.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -169.674766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.674766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.674766 (E_RNA)
where:
Base-Base interactions energy: -50.415
where: short stacking energy: -48.833
Base-Backbone interact. energy: -0.781
local terms energy: -118.479234
where:
bonds (distance) C4'-P energy: -39.614
bonds (distance) P-C4' energy: -40.862
flat angles C4'-P-C4' energy: -25.011
flat angles P-C4'-P energy: -17.607
tors. eta vs tors. theta energy: 4.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -688.624656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.624656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.624656 (E_RNA)
where:
Base-Base interactions energy: -478.055
where: short stacking energy: -206.281
Base-Backbone interact. energy: 1.635
local terms energy: -212.204128
where:
bonds (distance) C4'-P energy: -32.374
bonds (distance) P-C4' energy: -39.997
flat angles C4'-P-C4' energy: -45.121
flat angles P-C4'-P energy: -33.670
tors. eta vs tors. theta energy: -61.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -670.655733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.655733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.655733 (E_RNA)
where:
Base-Base interactions energy: -455.900
where: short stacking energy: -174.981
Base-Backbone interact. energy: -0.132
local terms energy: -214.623604
where:
bonds (distance) C4'-P energy: -41.846
bonds (distance) P-C4' energy: -40.796
flat angles C4'-P-C4' energy: -42.313
flat angles P-C4'-P energy: -30.586
tors. eta vs tors. theta energy: -59.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -636.207304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.207304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.207304 (E_RNA)
where:
Base-Base interactions energy: -427.148
where: short stacking energy: -176.818
Base-Backbone interact. energy: 2.426
local terms energy: -211.485868
where:
bonds (distance) C4'-P energy: -39.693
bonds (distance) P-C4' energy: -41.138
flat angles C4'-P-C4' energy: -47.073
flat angles P-C4'-P energy: -32.492
tors. eta vs tors. theta energy: -51.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -570.265095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.265095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.265095 (E_RNA)
where:
Base-Base interactions energy: -361.907
where: short stacking energy: -174.113
Base-Backbone interact. energy: -0.413
local terms energy: -207.945034
where:
bonds (distance) C4'-P energy: -42.331
bonds (distance) P-C4' energy: -41.835
flat angles C4'-P-C4' energy: -41.554
flat angles P-C4'-P energy: -26.140
tors. eta vs tors. theta energy: -56.085
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: 4
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -598.448543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.448543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.448543 (E_RNA)
where:
Base-Base interactions energy: -403.002
where: short stacking energy: -175.101
Base-Backbone interact. energy: 1.477
local terms energy: -196.923499
where:
bonds (distance) C4'-P energy: -34.229
bonds (distance) P-C4' energy: -41.676
flat angles C4'-P-C4' energy: -41.695
flat angles P-C4'-P energy: -22.797
tors. eta vs tors. theta energy: -56.527
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: 7
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -516.935280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.935280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.935280 (E_RNA)
where:
Base-Base interactions energy: -327.521
where: short stacking energy: -151.107
Base-Backbone interact. energy: -0.575
local terms energy: -188.838787
where:
bonds (distance) C4'-P energy: -38.414
bonds (distance) P-C4' energy: -36.513
flat angles C4'-P-C4' energy: -43.586
flat angles P-C4'-P energy: -26.059
tors. eta vs tors. theta energy: -44.267
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: 7, replica: 9
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -531.893241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.893241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.893241 (E_RNA)
where:
Base-Base interactions energy: -356.500
where: short stacking energy: -164.174
Base-Backbone interact. energy: -0.243
local terms energy: -175.150107
where:
bonds (distance) C4'-P energy: -36.441
bonds (distance) P-C4' energy: -33.837
flat angles C4'-P-C4' energy: -35.384
flat angles P-C4'-P energy: -25.164
tors. eta vs tors. theta energy: -44.324
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: 8
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -188.967066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.967066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.967066 (E_RNA)
where:
Base-Base interactions energy: -87.378
where: short stacking energy: -45.608
Base-Backbone interact. energy: 2.477
local terms energy: -104.066706
where:
bonds (distance) C4'-P energy: -31.975
bonds (distance) P-C4' energy: -35.424
flat angles C4'-P-C4' energy: -31.854
flat angles P-C4'-P energy: 0.377
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: 9, replica: 10
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -185.181400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.181400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.181400 (E_RNA)
where:
Base-Base interactions energy: -57.076
where: short stacking energy: -46.523
Base-Backbone interact. energy: -1.901
local terms energy: -126.204190
where:
bonds (distance) C4'-P energy: -34.754
bonds (distance) P-C4' energy: -31.932
flat angles C4'-P-C4' energy: -25.011
flat angles P-C4'-P energy: -30.151
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: 490
Temperature: 1.350000
Total energy: -174.901856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.901856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.901856 (E_RNA)
where:
Base-Base interactions energy: -52.761
where: short stacking energy: -47.885
Base-Backbone interact. energy: 1.209
local terms energy: -123.349366
where:
bonds (distance) C4'-P energy: -43.566
bonds (distance) P-C4' energy: -38.538
flat angles C4'-P-C4' energy: -29.149
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: 1.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -679.179251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.179251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.179251 (E_RNA)
where:
Base-Base interactions energy: -457.415
where: short stacking energy: -200.597
Base-Backbone interact. energy: 0.338
local terms energy: -222.101691
where:
bonds (distance) C4'-P energy: -45.064
bonds (distance) P-C4' energy: -44.433
flat angles C4'-P-C4' energy: -40.539
flat angles P-C4'-P energy: -31.851
tors. eta vs tors. theta energy: -60.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -649.513615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.513615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.513615 (E_RNA)
where:
Base-Base interactions energy: -456.093
where: short stacking energy: -177.734
Base-Backbone interact. energy: 1.081
local terms energy: -194.501934
where:
bonds (distance) C4'-P energy: -34.381
bonds (distance) P-C4' energy: -35.283
flat angles C4'-P-C4' energy: -46.753
flat angles P-C4'-P energy: -23.657
tors. eta vs tors. theta energy: -54.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -657.567252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.567252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.567252 (E_RNA)
where:
Base-Base interactions energy: -467.345
where: short stacking energy: -174.581
Base-Backbone interact. energy: 0.873
local terms energy: -191.095801
where:
bonds (distance) C4'-P energy: -38.026
bonds (distance) P-C4' energy: -42.325
flat angles C4'-P-C4' energy: -36.726
flat angles P-C4'-P energy: -23.670
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: 4, replica: 4
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -590.554717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.554717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.554717 (E_RNA)
where:
Base-Base interactions energy: -405.984
where: short stacking energy: -168.534
Base-Backbone interact. energy: -0.603
local terms energy: -183.967816
where:
bonds (distance) C4'-P energy: -32.193
bonds (distance) P-C4' energy: -41.044
flat angles C4'-P-C4' energy: -38.589
flat angles P-C4'-P energy: -25.050
tors. eta vs tors. theta energy: -47.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -554.237601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.237601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.237601 (E_RNA)
where:
Base-Base interactions energy: -358.632
where: short stacking energy: -180.724
Base-Backbone interact. energy: 1.529
local terms energy: -197.135548
where:
bonds (distance) C4'-P energy: -33.902
bonds (distance) P-C4' energy: -35.475
flat angles C4'-P-C4' energy: -48.953
flat angles P-C4'-P energy: -27.804
tors. eta vs tors. theta energy: -51.001
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: 7
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -525.169821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.169821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.169821 (E_RNA)
where:
Base-Base interactions energy: -333.652
where: short stacking energy: -164.183
Base-Backbone interact. energy: -0.022
local terms energy: -191.496017
where:
bonds (distance) C4'-P energy: -29.336
bonds (distance) P-C4' energy: -43.448
flat angles C4'-P-C4' energy: -41.091
flat angles P-C4'-P energy: -27.196
tors. eta vs tors. theta energy: -50.425
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: 9
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -500.885492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.885492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.885492 (E_RNA)
where:
Base-Base interactions energy: -344.557
where: short stacking energy: -142.740
Base-Backbone interact. energy: -0.169
local terms energy: -156.160334
where:
bonds (distance) C4'-P energy: -30.220
bonds (distance) P-C4' energy: -30.400
flat angles C4'-P-C4' energy: -33.613
flat angles P-C4'-P energy: -19.734
tors. eta vs tors. theta energy: -42.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -195.024534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.024534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.024534 (E_RNA)
where:
Base-Base interactions energy: -60.583
where: short stacking energy: -60.583
Base-Backbone interact. energy: -0.228
local terms energy: -134.213617
where:
bonds (distance) C4'-P energy: -38.588
bonds (distance) P-C4' energy: -37.376
flat angles C4'-P-C4' energy: -23.723
flat angles P-C4'-P energy: -25.328
tors. eta vs tors. theta energy: -9.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -180.815939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.815939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.815939 (E_RNA)
where:
Base-Base interactions energy: -49.046
where: short stacking energy: -46.161
Base-Backbone interact. energy: 0.157
local terms energy: -131.926734
where:
bonds (distance) C4'-P energy: -39.822
bonds (distance) P-C4' energy: -40.619
flat angles C4'-P-C4' energy: -32.453
flat angles P-C4'-P energy: -21.292
tors. eta vs tors. theta energy: 2.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -176.437380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.437380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.437380 (E_RNA)
where:
Base-Base interactions energy: -68.350
where: short stacking energy: -64.055
Base-Backbone interact. energy: 1.623
local terms energy: -109.710388
where:
bonds (distance) C4'-P energy: -26.894
bonds (distance) P-C4' energy: -33.250
flat angles C4'-P-C4' energy: -26.520
flat angles P-C4'-P energy: -16.631
tors. eta vs tors. theta energy: -6.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -664.150763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.150763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.150763 (E_RNA)
where:
Base-Base interactions energy: -456.697
where: short stacking energy: -161.625
Base-Backbone interact. energy: -0.229
local terms energy: -207.224608
where:
bonds (distance) C4'-P energy: -35.041
bonds (distance) P-C4' energy: -44.593
flat angles C4'-P-C4' energy: -45.669
flat angles P-C4'-P energy: -32.015
tors. eta vs tors. theta energy: -49.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -648.636575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.636575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.636575 (E_RNA)
where:
Base-Base interactions energy: -439.888
where: short stacking energy: -200.735
Base-Backbone interact. energy: 2.677
local terms energy: -211.425751
where:
bonds (distance) C4'-P energy: -41.049
bonds (distance) P-C4' energy: -44.206
flat angles C4'-P-C4' energy: -38.859
flat angles P-C4'-P energy: -29.828
tors. eta vs tors. theta energy: -57.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -660.175714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.175714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.175714 (E_RNA)
where:
Base-Base interactions energy: -454.119
where: short stacking energy: -190.524
Base-Backbone interact. energy: -0.104
local terms energy: -205.952231
where:
bonds (distance) C4'-P energy: -33.994
bonds (distance) P-C4' energy: -42.081
flat angles C4'-P-C4' energy: -41.717
flat angles P-C4'-P energy: -27.235
tors. eta vs tors. theta energy: -60.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -595.419902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.419902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.419902 (E_RNA)
where:
Base-Base interactions energy: -392.667
where: short stacking energy: -165.804
Base-Backbone interact. energy: -0.701
local terms energy: -202.051748
where:
bonds (distance) C4'-P energy: -38.491
bonds (distance) P-C4' energy: -35.608
flat angles C4'-P-C4' energy: -42.826
flat angles P-C4'-P energy: -30.852
tors. eta vs tors. theta energy: -54.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -546.858781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.858781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.858781 (E_RNA)
where:
Base-Base interactions energy: -347.534
where: short stacking energy: -172.750
Base-Backbone interact. energy: -1.569
local terms energy: -197.755545
where:
bonds (distance) C4'-P energy: -40.818
bonds (distance) P-C4' energy: -38.246
flat angles C4'-P-C4' energy: -34.244
flat angles P-C4'-P energy: -34.457
tors. eta vs tors. theta energy: -49.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -537.130446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.130446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.130446 (E_RNA)
where:
Base-Base interactions energy: -350.723
where: short stacking energy: -160.652
Base-Backbone interact. energy: 0.249
local terms energy: -186.655660
where:
bonds (distance) C4'-P energy: -25.214
bonds (distance) P-C4' energy: -39.757
flat angles C4'-P-C4' energy: -43.267
flat angles P-C4'-P energy: -28.284
tors. eta vs tors. theta energy: -50.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -488.879517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.879517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.879517 (E_RNA)
where:
Base-Base interactions energy: -318.458
where: short stacking energy: -131.402
Base-Backbone interact. energy: -0.103
local terms energy: -170.318863
where:
bonds (distance) C4'-P energy: -29.496
bonds (distance) P-C4' energy: -41.770
flat angles C4'-P-C4' energy: -38.086
flat angles P-C4'-P energy: -23.668
tors. eta vs tors. theta energy: -37.298
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: 8
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -200.622762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.622762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.622762 (E_RNA)
where:
Base-Base interactions energy: -77.586
where: short stacking energy: -65.417
Base-Backbone interact. energy: 0.736
local terms energy: -123.772120
where:
bonds (distance) C4'-P energy: -25.087
bonds (distance) P-C4' energy: -35.808
flat angles C4'-P-C4' energy: -31.357
flat angles P-C4'-P energy: -18.252
tors. eta vs tors. theta energy: -13.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -167.220522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.220522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.220522 (E_RNA)
where:
Base-Base interactions energy: -51.129
where: short stacking energy: -49.050
Base-Backbone interact. energy: -0.650
local terms energy: -115.441676
where:
bonds (distance) C4'-P energy: -28.989
bonds (distance) P-C4' energy: -33.670
flat angles C4'-P-C4' energy: -30.802
flat angles P-C4'-P energy: -26.017
tors. eta vs tors. theta energy: 4.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -204.521724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.521724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.521724 (E_RNA)
where:
Base-Base interactions energy: -78.144
where: short stacking energy: -59.262
Base-Backbone interact. energy: -0.860
local terms energy: -125.517701
where:
bonds (distance) C4'-P energy: -38.507
bonds (distance) P-C4' energy: -34.168
flat angles C4'-P-C4' energy: -30.511
flat angles P-C4'-P energy: -21.573
tors. eta vs tors. theta energy: -0.759
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: 5
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -661.436993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.436993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.436993 (E_RNA)
where:
Base-Base interactions energy: -463.289
where: short stacking energy: -166.430
Base-Backbone interact. energy: -0.326
local terms energy: -197.822431
where:
bonds (distance) C4'-P energy: -41.273
bonds (distance) P-C4' energy: -47.737
flat angles C4'-P-C4' energy: -32.773
flat angles P-C4'-P energy: -30.499
tors. eta vs tors. theta energy: -45.541
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: 493
Temperature: 0.950000
Total energy: -670.496284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.496284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.496284 (E_RNA)
where:
Base-Base interactions energy: -458.019
where: short stacking energy: -199.406
Base-Backbone interact. energy: 1.028
local terms energy: -213.504850
where:
bonds (distance) C4'-P energy: -40.226
bonds (distance) P-C4' energy: -42.510
flat angles C4'-P-C4' energy: -39.830
flat angles P-C4'-P energy: -30.256
tors. eta vs tors. theta energy: -60.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -656.191819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.191819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.191819 (E_RNA)
where:
Base-Base interactions energy: -455.322
where: short stacking energy: -188.690
Base-Backbone interact. energy: 0.305
local terms energy: -201.175150
where:
bonds (distance) C4'-P energy: -41.146
bonds (distance) P-C4' energy: -33.536
flat angles C4'-P-C4' energy: -40.966
flat angles P-C4'-P energy: -29.808
tors. eta vs tors. theta energy: -55.719
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: 4
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -579.009936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.009936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.009936 (E_RNA)
where:
Base-Base interactions energy: -377.874
where: short stacking energy: -166.828
Base-Backbone interact. energy: 0.819
local terms energy: -201.954916
where:
bonds (distance) C4'-P energy: -35.775
bonds (distance) P-C4' energy: -44.937
flat angles C4'-P-C4' energy: -41.986
flat angles P-C4'-P energy: -26.864
tors. eta vs tors. theta energy: -52.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -536.795564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.795564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.795564 (E_RNA)
where:
Base-Base interactions energy: -329.659
where: short stacking energy: -156.784
Base-Backbone interact. energy: -0.154
local terms energy: -206.982430
where:
bonds (distance) C4'-P energy: -40.145
bonds (distance) P-C4' energy: -40.893
flat angles C4'-P-C4' energy: -42.636
flat angles P-C4'-P energy: -28.177
tors. eta vs tors. theta energy: -55.131
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: 7
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -544.133392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.133392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.133392 (E_RNA)
where:
Base-Base interactions energy: -345.164
where: short stacking energy: -170.740
Base-Backbone interact. energy: -0.015
local terms energy: -198.954253
where:
bonds (distance) C4'-P energy: -37.046
bonds (distance) P-C4' energy: -36.379
flat angles C4'-P-C4' energy: -40.786
flat angles P-C4'-P energy: -27.673
tors. eta vs tors. theta energy: -57.070
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: 7, replica: 9
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -500.819164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.819164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.819164 (E_RNA)
where:
Base-Base interactions energy: -330.465
where: short stacking energy: -129.648
Base-Backbone interact. energy: 0.570
local terms energy: -170.924799
where:
bonds (distance) C4'-P energy: -29.803
bonds (distance) P-C4' energy: -39.041
flat angles C4'-P-C4' energy: -40.189
flat angles P-C4'-P energy: -20.098
tors. eta vs tors. theta energy: -41.794
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: 8
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -195.436216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.436216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.436216 (E_RNA)
where:
Base-Base interactions energy: -65.701
where: short stacking energy: -56.664
Base-Backbone interact. energy: -0.492
local terms energy: -129.243045
where:
bonds (distance) C4'-P energy: -30.590
bonds (distance) P-C4' energy: -39.911
flat angles C4'-P-C4' energy: -34.491
flat angles P-C4'-P energy: -16.778
tors. eta vs tors. theta energy: -7.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -170.304472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.304472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.304472 (E_RNA)
where:
Base-Base interactions energy: -59.286
where: short stacking energy: -53.765
Base-Backbone interact. energy: -1.444
local terms energy: -109.574510
where:
bonds (distance) C4'-P energy: -30.470
bonds (distance) P-C4' energy: -29.203
flat angles C4'-P-C4' energy: -33.898
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -3.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -180.831814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.831814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.831814 (E_RNA)
where:
Base-Base interactions energy: -80.788
where: short stacking energy: -72.169
Base-Backbone interact. energy: -0.332
local terms energy: -99.711356
where:
bonds (distance) C4'-P energy: -23.462
bonds (distance) P-C4' energy: -30.714
flat angles C4'-P-C4' energy: -24.571
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: -6.071
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: 1, replica: 1
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -681.156512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.156512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.156512 (E_RNA)
where:
Base-Base interactions energy: -458.655
where: short stacking energy: -202.197
Base-Backbone interact. energy: -0.272
local terms energy: -222.229327
where:
bonds (distance) C4'-P energy: -42.306
bonds (distance) P-C4' energy: -39.235
flat angles C4'-P-C4' energy: -44.758
flat angles P-C4'-P energy: -35.699
tors. eta vs tors. theta energy: -60.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -648.759248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.759248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.759248 (E_RNA)
where:
Base-Base interactions energy: -451.362
where: short stacking energy: -181.503
Base-Backbone interact. energy: -0.695
local terms energy: -196.702488
where:
bonds (distance) C4'-P energy: -36.499
bonds (distance) P-C4' energy: -41.530
flat angles C4'-P-C4' energy: -39.990
flat angles P-C4'-P energy: -25.454
tors. eta vs tors. theta energy: -53.228
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: 494
Temperature: 1.000000
Total energy: -645.263801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.263801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.263801 (E_RNA)
where:
Base-Base interactions energy: -442.752
where: short stacking energy: -179.420
Base-Backbone interact. energy: -1.246
local terms energy: -201.265144
where:
bonds (distance) C4'-P energy: -33.306
bonds (distance) P-C4' energy: -35.081
flat angles C4'-P-C4' energy: -42.768
flat angles P-C4'-P energy: -29.859
tors. eta vs tors. theta energy: -60.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -586.470828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.470828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.470828 (E_RNA)
where:
Base-Base interactions energy: -395.739
where: short stacking energy: -156.648
Base-Backbone interact. energy: -0.226
local terms energy: -190.506108
where:
bonds (distance) C4'-P energy: -37.366
bonds (distance) P-C4' energy: -32.787
flat angles C4'-P-C4' energy: -38.401
flat angles P-C4'-P energy: -30.400
tors. eta vs tors. theta energy: -51.552
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: 7
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -544.746603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.746603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.746603 (E_RNA)
where:
Base-Base interactions energy: -348.435
where: short stacking energy: -168.920
Base-Backbone interact. energy: -0.343
local terms energy: -195.968057
where:
bonds (distance) C4'-P energy: -26.841
bonds (distance) P-C4' energy: -42.473
flat angles C4'-P-C4' energy: -45.749
flat angles P-C4'-P energy: -30.577
tors. eta vs tors. theta energy: -50.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -533.812582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.812582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.812582 (E_RNA)
where:
Base-Base interactions energy: -348.082
where: short stacking energy: -166.014
Base-Backbone interact. energy: -0.115
local terms energy: -185.614864
where:
bonds (distance) C4'-P energy: -26.169
bonds (distance) P-C4' energy: -39.291
flat angles C4'-P-C4' energy: -41.437
flat angles P-C4'-P energy: -24.997
tors. eta vs tors. theta energy: -53.721
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: 7, replica: 9
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -474.166220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.166220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.166220 (E_RNA)
where:
Base-Base interactions energy: -302.721
where: short stacking energy: -127.459
Base-Backbone interact. energy: 1.643
local terms energy: -173.087866
where:
bonds (distance) C4'-P energy: -26.270
bonds (distance) P-C4' energy: -34.295
flat angles C4'-P-C4' energy: -38.748
flat angles P-C4'-P energy: -31.173
tors. eta vs tors. theta energy: -42.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -186.415855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.415855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.415855 (E_RNA)
where:
Base-Base interactions energy: -65.455
where: short stacking energy: -58.983
Base-Backbone interact. energy: -0.443
local terms energy: -120.518075
where:
bonds (distance) C4'-P energy: -33.653
bonds (distance) P-C4' energy: -38.602
flat angles C4'-P-C4' energy: -26.782
flat angles P-C4'-P energy: -20.219
tors. eta vs tors. theta energy: -1.262
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: 10
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -190.120522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.120522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.120522 (E_RNA)
where:
Base-Base interactions energy: -80.793
where: short stacking energy: -49.422
Base-Backbone interact. energy: 0.944
local terms energy: -110.271981
where:
bonds (distance) C4'-P energy: -35.658
bonds (distance) P-C4' energy: -33.970
flat angles C4'-P-C4' energy: -36.811
flat angles P-C4'-P energy: -11.193
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: 10, replica: 6
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -178.179959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.179959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.179959 (E_RNA)
where:
Base-Base interactions energy: -69.135
where: short stacking energy: -39.773
Base-Backbone interact. energy: -0.220
local terms energy: -108.824124
where:
bonds (distance) C4'-P energy: -22.645
bonds (distance) P-C4' energy: -39.382
flat angles C4'-P-C4' energy: -30.343
flat angles P-C4'-P energy: -16.985
tors. eta vs tors. theta energy: 0.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -678.955037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.955037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.955037 (E_RNA)
where:
Base-Base interactions energy: -470.123
where: short stacking energy: -208.031
Base-Backbone interact. energy: -0.674
local terms energy: -208.157692
where:
bonds (distance) C4'-P energy: -40.070
bonds (distance) P-C4' energy: -42.394
flat angles C4'-P-C4' energy: -44.309
flat angles P-C4'-P energy: -26.469
tors. eta vs tors. theta energy: -54.915
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: 3
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -671.720654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.720654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.720654 (E_RNA)
where:
Base-Base interactions energy: -457.499
where: short stacking energy: -189.123
Base-Backbone interact. energy: -0.401
local terms energy: -213.820624
where:
bonds (distance) C4'-P energy: -35.136
bonds (distance) P-C4' energy: -42.457
flat angles C4'-P-C4' energy: -44.591
flat angles P-C4'-P energy: -30.392
tors. eta vs tors. theta energy: -61.244
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: 5
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -620.671128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.671128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.671128 (E_RNA)
where:
Base-Base interactions energy: -415.294
where: short stacking energy: -175.078
Base-Backbone interact. energy: -1.721
local terms energy: -203.656284
where:
bonds (distance) C4'-P energy: -42.190
bonds (distance) P-C4' energy: -42.866
flat angles C4'-P-C4' energy: -41.016
flat angles P-C4'-P energy: -23.944
tors. eta vs tors. theta energy: -53.640
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: 4, replica: 4
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -572.990761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.990761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.990761 (E_RNA)
where:
Base-Base interactions energy: -366.508
where: short stacking energy: -149.280
Base-Backbone interact. energy: -0.490
local terms energy: -205.991968
where:
bonds (distance) C4'-P energy: -41.125
bonds (distance) P-C4' energy: -43.633
flat angles C4'-P-C4' energy: -41.664
flat angles P-C4'-P energy: -32.903
tors. eta vs tors. theta energy: -46.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -551.181909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.181909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.181909 (E_RNA)
where:
Base-Base interactions energy: -348.810
where: short stacking energy: -168.834
Base-Backbone interact. energy: -0.049
local terms energy: -202.322874
where:
bonds (distance) C4'-P energy: -40.653
bonds (distance) P-C4' energy: -46.662
flat angles C4'-P-C4' energy: -37.484
flat angles P-C4'-P energy: -23.588
tors. eta vs tors. theta energy: -53.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -499.315974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.315974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.315974 (E_RNA)
where:
Base-Base interactions energy: -307.585
where: short stacking energy: -137.727
Base-Backbone interact. energy: -0.290
local terms energy: -191.440126
where:
bonds (distance) C4'-P energy: -30.907
bonds (distance) P-C4' energy: -45.393
flat angles C4'-P-C4' energy: -42.841
flat angles P-C4'-P energy: -24.872
tors. eta vs tors. theta energy: -47.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -470.659770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.659770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.659770 (E_RNA)
where:
Base-Base interactions energy: -295.879
where: short stacking energy: -149.536
Base-Backbone interact. energy: -0.238
local terms energy: -174.542553
where:
bonds (distance) C4'-P energy: -39.322
bonds (distance) P-C4' energy: -34.357
flat angles C4'-P-C4' energy: -44.197
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -44.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -201.699879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.699879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.699879 (E_RNA)
where:
Base-Base interactions energy: -64.569
where: short stacking energy: -58.660
Base-Backbone interact. energy: 5.517
local terms energy: -142.647369
where:
bonds (distance) C4'-P energy: -32.094
bonds (distance) P-C4' energy: -32.433
flat angles C4'-P-C4' energy: -33.335
flat angles P-C4'-P energy: -26.680
tors. eta vs tors. theta energy: -18.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -167.870157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.870157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.870157 (E_RNA)
where:
Base-Base interactions energy: -49.791
where: short stacking energy: -40.263
Base-Backbone interact. energy: -0.408
local terms energy: -117.670862
where:
bonds (distance) C4'-P energy: -35.262
bonds (distance) P-C4' energy: -38.786
flat angles C4'-P-C4' energy: -38.151
flat angles P-C4'-P energy: -17.376
tors. eta vs tors. theta energy: 11.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -178.338586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.338586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.338586 (E_RNA)
where:
Base-Base interactions energy: -81.167
where: short stacking energy: -38.098
Base-Backbone interact. energy: -0.565
local terms energy: -96.606070
where:
bonds (distance) C4'-P energy: -33.573
bonds (distance) P-C4' energy: -39.445
flat angles C4'-P-C4' energy: -24.153
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: 8.467
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: 1, replica: 1
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -683.364050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.364050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.364050 (E_RNA)
where:
Base-Base interactions energy: -461.507
where: short stacking energy: -203.747
Base-Backbone interact. energy: -0.928
local terms energy: -220.929396
where:
bonds (distance) C4'-P energy: -41.631
bonds (distance) P-C4' energy: -37.799
flat angles C4'-P-C4' energy: -46.879
flat angles P-C4'-P energy: -33.877
tors. eta vs tors. theta energy: -60.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -664.951008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.951008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.951008 (E_RNA)
where:
Base-Base interactions energy: -453.690
where: short stacking energy: -184.025
Base-Backbone interact. energy: -0.034
local terms energy: -211.226529
where:
bonds (distance) C4'-P energy: -39.449
bonds (distance) P-C4' energy: -33.956
flat angles C4'-P-C4' energy: -43.377
flat angles P-C4'-P energy: -29.240
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: 3, replica: 5
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -641.699469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.699469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.699469 (E_RNA)
where:
Base-Base interactions energy: -442.298
where: short stacking energy: -175.554
Base-Backbone interact. energy: 0.891
local terms energy: -200.292060
where:
bonds (distance) C4'-P energy: -35.813
bonds (distance) P-C4' energy: -32.332
flat angles C4'-P-C4' energy: -40.876
flat angles P-C4'-P energy: -35.290
tors. eta vs tors. theta energy: -55.982
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: 4
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -580.725195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.725195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.725195 (E_RNA)
where:
Base-Base interactions energy: -404.146
where: short stacking energy: -166.305
Base-Backbone interact. energy: -0.823
local terms energy: -175.756860
where:
bonds (distance) C4'-P energy: -35.686
bonds (distance) P-C4' energy: -37.304
flat angles C4'-P-C4' energy: -40.471
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -49.057
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: 7
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -555.452774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.452774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.452774 (E_RNA)
where:
Base-Base interactions energy: -354.703
where: short stacking energy: -165.678
Base-Backbone interact. energy: -0.801
local terms energy: -199.949339
where:
bonds (distance) C4'-P energy: -34.422
bonds (distance) P-C4' energy: -37.853
flat angles C4'-P-C4' energy: -43.719
flat angles P-C4'-P energy: -30.692
tors. eta vs tors. theta energy: -53.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -489.923510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.923510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.923510 (E_RNA)
where:
Base-Base interactions energy: -324.019
where: short stacking energy: -130.528
Base-Backbone interact. energy: -0.361
local terms energy: -165.543146
where:
bonds (distance) C4'-P energy: -34.271
bonds (distance) P-C4' energy: -36.055
flat angles C4'-P-C4' energy: -34.072
flat angles P-C4'-P energy: -20.061
tors. eta vs tors. theta energy: -41.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -534.667955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.667955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.667955 (E_RNA)
where:
Base-Base interactions energy: -342.208
where: short stacking energy: -168.316
Base-Backbone interact. energy: -1.031
local terms energy: -191.429411
where:
bonds (distance) C4'-P energy: -35.098
bonds (distance) P-C4' energy: -32.887
flat angles C4'-P-C4' energy: -44.358
flat angles P-C4'-P energy: -31.095
tors. eta vs tors. theta energy: -47.992
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: 8
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -214.593114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.593114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.593114 (E_RNA)
where:
Base-Base interactions energy: -76.308
where: short stacking energy: -67.624
Base-Backbone interact. energy: -0.402
local terms energy: -137.883133
where:
bonds (distance) C4'-P energy: -36.676
bonds (distance) P-C4' energy: -39.055
flat angles C4'-P-C4' energy: -27.570
flat angles P-C4'-P energy: -23.326
tors. eta vs tors. theta energy: -11.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -189.337667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.337667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.337667 (E_RNA)
where:
Base-Base interactions energy: -78.258
where: short stacking energy: -74.940
Base-Backbone interact. energy: -0.621
local terms energy: -110.459085
where:
bonds (distance) C4'-P energy: -32.378
bonds (distance) P-C4' energy: -35.723
flat angles C4'-P-C4' energy: -28.526
flat angles P-C4'-P energy: -6.814
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: 10, replica: 10
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -188.148020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.148020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.148020 (E_RNA)
where:
Base-Base interactions energy: -73.750
where: short stacking energy: -66.140
Base-Backbone interact. energy: -0.502
local terms energy: -113.896188
where:
bonds (distance) C4'-P energy: -32.653
bonds (distance) P-C4' energy: -40.103
flat angles C4'-P-C4' energy: -23.842
flat angles P-C4'-P energy: -20.150
tors. eta vs tors. theta energy: 2.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -687.591494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.591494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.591494 (E_RNA)
where:
Base-Base interactions energy: -454.160
where: short stacking energy: -199.556
Base-Backbone interact. energy: 1.657
local terms energy: -235.088153
where:
bonds (distance) C4'-P energy: -43.884
bonds (distance) P-C4' energy: -43.289
flat angles C4'-P-C4' energy: -47.445
flat angles P-C4'-P energy: -37.685
tors. eta vs tors. theta energy: -62.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -669.564784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.564784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.564784 (E_RNA)
where:
Base-Base interactions energy: -459.517
where: short stacking energy: -191.350
Base-Backbone interact. energy: -0.269
local terms energy: -209.778803
where:
bonds (distance) C4'-P energy: -28.011
bonds (distance) P-C4' energy: -45.381
flat angles C4'-P-C4' energy: -44.801
flat angles P-C4'-P energy: -34.242
tors. eta vs tors. theta energy: -57.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -611.976688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.976688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.976688 (E_RNA)
where:
Base-Base interactions energy: -421.029
where: short stacking energy: -180.968
Base-Backbone interact. energy: -1.050
local terms energy: -189.897995
where:
bonds (distance) C4'-P energy: -30.993
bonds (distance) P-C4' energy: -42.031
flat angles C4'-P-C4' energy: -35.485
flat angles P-C4'-P energy: -29.437
tors. eta vs tors. theta energy: -51.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -575.729656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.729656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.729656 (E_RNA)
where:
Base-Base interactions energy: -376.235
where: short stacking energy: -157.252
Base-Backbone interact. energy: -0.365
local terms energy: -199.129942
where:
bonds (distance) C4'-P energy: -37.289
bonds (distance) P-C4' energy: -42.740
flat angles C4'-P-C4' energy: -43.066
flat angles P-C4'-P energy: -29.485
tors. eta vs tors. theta energy: -46.549
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: 7
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -542.005279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.005279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.005279 (E_RNA)
where:
Base-Base interactions energy: -340.988
where: short stacking energy: -150.863
Base-Backbone interact. energy: -0.194
local terms energy: -200.823008
where:
bonds (distance) C4'-P energy: -38.253
bonds (distance) P-C4' energy: -40.911
flat angles C4'-P-C4' energy: -39.564
flat angles P-C4'-P energy: -31.457
tors. eta vs tors. theta energy: -50.639
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: 497
Temperature: 1.150000
Total energy: -523.286794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.286794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.286794 (E_RNA)
where:
Base-Base interactions energy: -336.613
where: short stacking energy: -152.463
Base-Backbone interact. energy: -0.796
local terms energy: -185.877800
where:
bonds (distance) C4'-P energy: -34.001
bonds (distance) P-C4' energy: -39.313
flat angles C4'-P-C4' energy: -44.717
flat angles P-C4'-P energy: -21.950
tors. eta vs tors. theta energy: -45.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -510.935894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.935894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.935894 (E_RNA)
where:
Base-Base interactions energy: -330.495
where: short stacking energy: -137.202
Base-Backbone interact. energy: -0.585
local terms energy: -179.856074
where:
bonds (distance) C4'-P energy: -29.949
bonds (distance) P-C4' energy: -42.966
flat angles C4'-P-C4' energy: -38.248
flat angles P-C4'-P energy: -22.283
tors. eta vs tors. theta energy: -46.410
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: 6
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -203.967940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.967940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.967940 (E_RNA)
where:
Base-Base interactions energy: -65.768
where: short stacking energy: -56.772
Base-Backbone interact. energy: 0.693
local terms energy: -138.893497
where:
bonds (distance) C4'-P energy: -35.294
bonds (distance) P-C4' energy: -43.402
flat angles C4'-P-C4' energy: -38.895
flat angles P-C4'-P energy: -18.051
tors. eta vs tors. theta energy: -3.252
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: 8
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -194.310669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.310669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.310669 (E_RNA)
where:
Base-Base interactions energy: -66.646
where: short stacking energy: -50.163
Base-Backbone interact. energy: -1.643
local terms energy: -126.021942
where:
bonds (distance) C4'-P energy: -37.776
bonds (distance) P-C4' energy: -37.257
flat angles C4'-P-C4' energy: -36.671
flat angles P-C4'-P energy: -15.631
tors. eta vs tors. theta energy: 1.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -164.535148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.535148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.535148 (E_RNA)
where:
Base-Base interactions energy: -65.683
where: short stacking energy: -53.853
Base-Backbone interact. energy: -1.583
local terms energy: -97.269473
where:
bonds (distance) C4'-P energy: -27.586
bonds (distance) P-C4' energy: -30.947
flat angles C4'-P-C4' energy: -22.993
flat angles P-C4'-P energy: -16.725
tors. eta vs tors. theta energy: 0.981
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: 3
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -684.787916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.787916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.787916 (E_RNA)
where:
Base-Base interactions energy: -475.814
where: short stacking energy: -193.490
Base-Backbone interact. energy: 0.421
local terms energy: -209.394174
where:
bonds (distance) C4'-P energy: -40.643
bonds (distance) P-C4' energy: -36.335
flat angles C4'-P-C4' energy: -41.615
flat angles P-C4'-P energy: -31.155
tors. eta vs tors. theta energy: -59.646
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: 498
Temperature: 0.950000
Total energy: -676.654827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.654827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.654827 (E_RNA)
where:
Base-Base interactions energy: -463.106
where: short stacking energy: -201.881
Base-Backbone interact. energy: -0.094
local terms energy: -213.454566
where:
bonds (distance) C4'-P energy: -28.259
bonds (distance) P-C4' energy: -46.687
flat angles C4'-P-C4' energy: -47.905
flat angles P-C4'-P energy: -31.074
tors. eta vs tors. theta energy: -59.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -631.611276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.611276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.611276 (E_RNA)
where:
Base-Base interactions energy: -426.098
where: short stacking energy: -166.469
Base-Backbone interact. energy: -0.526
local terms energy: -204.987010
where:
bonds (distance) C4'-P energy: -42.377
bonds (distance) P-C4' energy: -38.972
flat angles C4'-P-C4' energy: -47.584
flat angles P-C4'-P energy: -24.919
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: 4, replica: 4
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -606.545870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.545870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.545870 (E_RNA)
where:
Base-Base interactions energy: -423.216
where: short stacking energy: -169.577
Base-Backbone interact. energy: -0.539
local terms energy: -182.791143
where:
bonds (distance) C4'-P energy: -34.801
bonds (distance) P-C4' energy: -31.369
flat angles C4'-P-C4' energy: -38.456
flat angles P-C4'-P energy: -19.222
tors. eta vs tors. theta energy: -58.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -534.568019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.568019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.568019 (E_RNA)
where:
Base-Base interactions energy: -346.278
where: short stacking energy: -164.586
Base-Backbone interact. energy: -0.903
local terms energy: -187.386369
where:
bonds (distance) C4'-P energy: -34.850
bonds (distance) P-C4' energy: -34.809
flat angles C4'-P-C4' energy: -39.392
flat angles P-C4'-P energy: -24.789
tors. eta vs tors. theta energy: -53.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -501.260200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.260200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.260200 (E_RNA)
where:
Base-Base interactions energy: -318.338
where: short stacking energy: -144.609
Base-Backbone interact. energy: -0.764
local terms energy: -182.158471
where:
bonds (distance) C4'-P energy: -34.776
bonds (distance) P-C4' energy: -33.172
flat angles C4'-P-C4' energy: -40.609
flat angles P-C4'-P energy: -31.633
tors. eta vs tors. theta energy: -41.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -433.392175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.392175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.392175 (E_RNA)
where:
Base-Base interactions energy: -296.017
where: short stacking energy: -123.304
Base-Backbone interact. energy: -1.852
local terms energy: -135.523601
where:
bonds (distance) C4'-P energy: -33.084
bonds (distance) P-C4' energy: -22.802
flat angles C4'-P-C4' energy: -34.904
flat angles P-C4'-P energy: -19.596
tors. eta vs tors. theta energy: -25.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -196.644795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.644795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.644795 (E_RNA)
where:
Base-Base interactions energy: -65.845
where: short stacking energy: -53.079
Base-Backbone interact. energy: -0.609
local terms energy: -130.190712
where:
bonds (distance) C4'-P energy: -40.821
bonds (distance) P-C4' energy: -38.378
flat angles C4'-P-C4' energy: -33.020
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -3.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -182.443718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.443718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.443718 (E_RNA)
where:
Base-Base interactions energy: -64.403
where: short stacking energy: -53.202
Base-Backbone interact. energy: -0.363
local terms energy: -117.677211
where:
bonds (distance) C4'-P energy: -33.051
bonds (distance) P-C4' energy: -38.526
flat angles C4'-P-C4' energy: -26.189
flat angles P-C4'-P energy: -19.150
tors. eta vs tors. theta energy: -0.761
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: 8
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -173.180619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.180619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.180619 (E_RNA)
where:
Base-Base interactions energy: -71.024
where: short stacking energy: -37.213
Base-Backbone interact. energy: -0.777
local terms energy: -101.379753
where:
bonds (distance) C4'-P energy: -34.762
bonds (distance) P-C4' energy: -30.952
flat angles C4'-P-C4' energy: -25.927
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: 0.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -693.218341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.218341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.218341 (E_RNA)
where:
Base-Base interactions energy: -478.769
where: short stacking energy: -183.774
Base-Backbone interact. energy: 0.438
local terms energy: -214.887140
where:
bonds (distance) C4'-P energy: -37.004
bonds (distance) P-C4' energy: -40.377
flat angles C4'-P-C4' energy: -43.117
flat angles P-C4'-P energy: -33.694
tors. eta vs tors. theta energy: -60.695
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: 2, replica: 1
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -676.371932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.371932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.371932 (E_RNA)
where:
Base-Base interactions energy: -469.339
where: short stacking energy: -203.221
Base-Backbone interact. energy: 0.803
local terms energy: -207.835694
where:
bonds (distance) C4'-P energy: -28.960
bonds (distance) P-C4' energy: -44.960
flat angles C4'-P-C4' energy: -40.543
flat angles P-C4'-P energy: -31.058
tors. eta vs tors. theta energy: -62.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -619.969395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.969395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.969395 (E_RNA)
where:
Base-Base interactions energy: -422.301
where: short stacking energy: -172.859
Base-Backbone interact. energy: -1.401
local terms energy: -196.267720
where:
bonds (distance) C4'-P energy: -40.655
bonds (distance) P-C4' energy: -37.785
flat angles C4'-P-C4' energy: -43.880
flat angles P-C4'-P energy: -23.095
tors. eta vs tors. theta energy: -50.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -596.273512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.273512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.273512 (E_RNA)
where:
Base-Base interactions energy: -393.517
where: short stacking energy: -174.758
Base-Backbone interact. energy: -0.069
local terms energy: -202.687217
where:
bonds (distance) C4'-P energy: -41.105
bonds (distance) P-C4' energy: -39.010
flat angles C4'-P-C4' energy: -40.807
flat angles P-C4'-P energy: -28.430
tors. eta vs tors. theta energy: -53.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -544.905130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.905130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.905130 (E_RNA)
where:
Base-Base interactions energy: -356.942
where: short stacking energy: -163.090
Base-Backbone interact. energy: -0.720
local terms energy: -187.243207
where:
bonds (distance) C4'-P energy: -36.518
bonds (distance) P-C4' energy: -32.752
flat angles C4'-P-C4' energy: -41.424
flat angles P-C4'-P energy: -29.290
tors. eta vs tors. theta energy: -47.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -478.773712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.773712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.773712 (E_RNA)
where:
Base-Base interactions energy: -296.849
where: short stacking energy: -118.589
Base-Backbone interact. energy: -1.949
local terms energy: -179.975223
where:
bonds (distance) C4'-P energy: -42.158
bonds (distance) P-C4' energy: -43.513
flat angles C4'-P-C4' energy: -41.254
flat angles P-C4'-P energy: -20.966
tors. eta vs tors. theta energy: -32.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -507.365126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.365126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.365126 (E_RNA)
where:
Base-Base interactions energy: -320.968
where: short stacking energy: -150.895
Base-Backbone interact. energy: -0.343
local terms energy: -186.055028
where:
bonds (distance) C4'-P energy: -35.671
bonds (distance) P-C4' energy: -38.491
flat angles C4'-P-C4' energy: -35.176
flat angles P-C4'-P energy: -30.271
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: 8, replica: 10
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -182.850573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.850573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.850573 (E_RNA)
where:
Base-Base interactions energy: -51.002
where: short stacking energy: -43.221
Base-Backbone interact. energy: -0.546
local terms energy: -131.303303
where:
bonds (distance) C4'-P energy: -32.615
bonds (distance) P-C4' energy: -46.593
flat angles C4'-P-C4' energy: -31.713
flat angles P-C4'-P energy: -22.454
tors. eta vs tors. theta energy: 2.072
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: 6
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -173.901100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.901100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.901100 (E_RNA)
where:
Base-Base interactions energy: -46.485
where: short stacking energy: -31.287
Base-Backbone interact. energy: -1.578
local terms energy: -125.837608
where:
bonds (distance) C4'-P energy: -36.199
bonds (distance) P-C4' energy: -43.938
flat angles C4'-P-C4' energy: -30.749
flat angles P-C4'-P energy: -23.805
tors. eta vs tors. theta energy: 8.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -171.654599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.654599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.654599 (E_RNA)
where:
Base-Base interactions energy: -56.391
where: short stacking energy: -54.358
Base-Backbone interact. energy: 1.055
local terms energy: -116.318861
where:
bonds (distance) C4'-P energy: -31.990
bonds (distance) P-C4' energy: -39.749
flat angles C4'-P-C4' energy: -31.454
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -0.058
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: 1, replica: 3
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -689.398183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.398183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.398183 (E_RNA)
where:
Base-Base interactions energy: -471.468
where: short stacking energy: -193.201
Base-Backbone interact. energy: -0.800
local terms energy: -217.129528
where:
bonds (distance) C4'-P energy: -42.070
bonds (distance) P-C4' energy: -42.171
flat angles C4'-P-C4' energy: -38.543
flat angles P-C4'-P energy: -28.189
tors. eta vs tors. theta energy: -66.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -656.726379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.726379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.726379 (E_RNA)
where:
Base-Base interactions energy: -443.238
where: short stacking energy: -196.179
Base-Backbone interact. energy: 0.035
local terms energy: -213.523122
where:
bonds (distance) C4'-P energy: -41.089
bonds (distance) P-C4' energy: -39.708
flat angles C4'-P-C4' energy: -44.193
flat angles P-C4'-P energy: -30.073
tors. eta vs tors. theta energy: -58.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -619.556038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.556038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.556038 (E_RNA)
where:
Base-Base interactions energy: -421.494
where: short stacking energy: -186.675
Base-Backbone interact. energy: -0.338
local terms energy: -197.724134
where:
bonds (distance) C4'-P energy: -41.689
bonds (distance) P-C4' energy: -34.661
flat angles C4'-P-C4' energy: -39.019
flat angles P-C4'-P energy: -28.308
tors. eta vs tors. theta energy: -54.047
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: 4, replica: 5
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -615.949364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.949364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.949364 (E_RNA)
where:
Base-Base interactions energy: -418.050
where: short stacking energy: -187.435
Base-Backbone interact. energy: -0.116
local terms energy: -197.783119
where:
bonds (distance) C4'-P energy: -33.980
bonds (distance) P-C4' energy: -37.230
flat angles C4'-P-C4' energy: -39.363
flat angles P-C4'-P energy: -28.077
tors. eta vs tors. theta energy: -59.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -533.339740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.339740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.339740 (E_RNA)
where:
Base-Base interactions energy: -352.024
where: short stacking energy: -167.237
Base-Backbone interact. energy: 0.266
local terms energy: -181.581478
where:
bonds (distance) C4'-P energy: -32.641
bonds (distance) P-C4' energy: -34.477
flat angles C4'-P-C4' energy: -40.673
flat angles P-C4'-P energy: -27.492
tors. eta vs tors. theta energy: -46.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -489.921722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.921722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.921722 (E_RNA)
where:
Base-Base interactions energy: -324.940
where: short stacking energy: -137.396
Base-Backbone interact. energy: -0.117
local terms energy: -164.864751
where:
bonds (distance) C4'-P energy: -23.177
bonds (distance) P-C4' energy: -36.981
flat angles C4'-P-C4' energy: -38.456
flat angles P-C4'-P energy: -28.815
tors. eta vs tors. theta energy: -37.437
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: 2
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -513.834712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.834712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.834712 (E_RNA)
where:
Base-Base interactions energy: -334.549
where: short stacking energy: -163.851
Base-Backbone interact. energy: -0.224
local terms energy: -179.061332
where:
bonds (distance) C4'-P energy: -35.439
bonds (distance) P-C4' energy: -36.374
flat angles C4'-P-C4' energy: -29.669
flat angles P-C4'-P energy: -24.186
tors. eta vs tors. theta energy: -53.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -185.909110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.909110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.909110 (E_RNA)
where:
Base-Base interactions energy: -59.156
where: short stacking energy: -36.516
Base-Backbone interact. energy: -0.379
local terms energy: -126.373272
where:
bonds (distance) C4'-P energy: -35.848
bonds (distance) P-C4' energy: -37.867
flat angles C4'-P-C4' energy: -40.037
flat angles P-C4'-P energy: -23.491
tors. eta vs tors. theta energy: 10.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -175.184918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.184918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.184918 (E_RNA)
where:
Base-Base interactions energy: -69.165
where: short stacking energy: -58.735
Base-Backbone interact. energy: 1.106
local terms energy: -107.125875
where:
bonds (distance) C4'-P energy: -33.277
bonds (distance) P-C4' energy: -37.601
flat angles C4'-P-C4' energy: -35.459
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: 9.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -173.079935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.079935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.079935 (E_RNA)
where:
Base-Base interactions energy: -79.634
where: short stacking energy: -55.450
Base-Backbone interact. energy: 0.404
local terms energy: -93.849410
where:
bonds (distance) C4'-P energy: -33.296
bonds (distance) P-C4' energy: -29.970
flat angles C4'-P-C4' energy: -9.560
flat angles P-C4'-P energy: -22.843
tors. eta vs tors. theta energy: 1.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -680.391227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.391227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.391227 (E_RNA)
where:
Base-Base interactions energy: -469.270
where: short stacking energy: -195.258
Base-Backbone interact. energy: -0.262
local terms energy: -210.859147
where:
bonds (distance) C4'-P energy: -41.154
bonds (distance) P-C4' energy: -32.760
flat angles C4'-P-C4' energy: -41.667
flat angles P-C4'-P energy: -35.328
tors. eta vs tors. theta energy: -59.951
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: 501
Temperature: 0.950000
Total energy: -664.986278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.986278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.986278 (E_RNA)
where:
Base-Base interactions energy: -464.946
where: short stacking energy: -195.958
Base-Backbone interact. energy: 1.311
local terms energy: -201.350745
where:
bonds (distance) C4'-P energy: -38.697
bonds (distance) P-C4' energy: -33.977
flat angles C4'-P-C4' energy: -44.421
flat angles P-C4'-P energy: -25.224
tors. eta vs tors. theta energy: -59.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -610.919791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.919791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.919791 (E_RNA)
where:
Base-Base interactions energy: -407.917
where: short stacking energy: -161.398
Base-Backbone interact. energy: -0.198
local terms energy: -202.804449
where:
bonds (distance) C4'-P energy: -31.531
bonds (distance) P-C4' energy: -40.979
flat angles C4'-P-C4' energy: -42.321
flat angles P-C4'-P energy: -32.451
tors. eta vs tors. theta energy: -55.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -592.225178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.225178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.225178 (E_RNA)
where:
Base-Base interactions energy: -388.376
where: short stacking energy: -167.270
Base-Backbone interact. energy: -0.676
local terms energy: -203.173083
where:
bonds (distance) C4'-P energy: -39.137
bonds (distance) P-C4' energy: -38.409
flat angles C4'-P-C4' energy: -41.888
flat angles P-C4'-P energy: -32.157
tors. eta vs tors. theta energy: -51.581
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: 7
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -553.960307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.960307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.960307 (E_RNA)
where:
Base-Base interactions energy: -357.616
where: short stacking energy: -169.936
Base-Backbone interact. energy: -0.845
local terms energy: -195.498581
where:
bonds (distance) C4'-P energy: -39.676
bonds (distance) P-C4' energy: -40.777
flat angles C4'-P-C4' energy: -46.494
flat angles P-C4'-P energy: -24.140
tors. eta vs tors. theta energy: -44.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -532.878459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.878459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.878459 (E_RNA)
where:
Base-Base interactions energy: -350.185
where: short stacking energy: -164.764
Base-Backbone interact. energy: 1.447
local terms energy: -184.140622
where:
bonds (distance) C4'-P energy: -25.647
bonds (distance) P-C4' energy: -35.785
flat angles C4'-P-C4' energy: -39.459
flat angles P-C4'-P energy: -31.271
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: 7, replica: 9
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -446.647567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.647567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.647567 (E_RNA)
where:
Base-Base interactions energy: -288.202
where: short stacking energy: -131.547
Base-Backbone interact. energy: 0.960
local terms energy: -159.405254
where:
bonds (distance) C4'-P energy: -33.556
bonds (distance) P-C4' energy: -34.649
flat angles C4'-P-C4' energy: -41.375
flat angles P-C4'-P energy: -21.566
tors. eta vs tors. theta energy: -28.259
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: 8
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -191.902695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.902695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.902695 (E_RNA)
where:
Base-Base interactions energy: -60.041
where: short stacking energy: -47.604
Base-Backbone interact. energy: -1.215
local terms energy: -130.646986
where:
bonds (distance) C4'-P energy: -39.070
bonds (distance) P-C4' energy: -30.018
flat angles C4'-P-C4' energy: -32.405
flat angles P-C4'-P energy: -26.218
tors. eta vs tors. theta energy: -2.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -196.976035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.976035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.976035 (E_RNA)
where:
Base-Base interactions energy: -62.473
where: short stacking energy: -55.234
Base-Backbone interact. energy: -0.163
local terms energy: -134.339420
where:
bonds (distance) C4'-P energy: -35.754
bonds (distance) P-C4' energy: -38.504
flat angles C4'-P-C4' energy: -32.333
flat angles P-C4'-P energy: -21.094
tors. eta vs tors. theta energy: -6.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -182.985701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.985701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.985701 (E_RNA)
where:
Base-Base interactions energy: -84.661
where: short stacking energy: -63.144
Base-Backbone interact. energy: 1.727
local terms energy: -100.051893
where:
bonds (distance) C4'-P energy: -23.556
bonds (distance) P-C4' energy: -38.470
flat angles C4'-P-C4' energy: -24.475
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -5.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 3 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 36582511
moves confirmed later: 41297286
all moves confirmed: 77879797
percent of confirmed moves: 9.734975
current total energy: -621.763088
recalc. total energy: -621.763088
replica 1 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 32001956
moves confirmed later: 34830441
all moves confirmed: 66832397
percent of confirmed moves: 8.354050
current total energy: -569.876276
recalc. total energy: -569.876276
replica 5 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 36276414
moves confirmed later: 40558322
all moves confirmed: 76834736
percent of confirmed moves: 9.604342
current total energy: -504.763516
recalc. total energy: -504.763516
replica 4 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 41402275
moves confirmed later: 47540533
all moves confirmed: 88942808
percent of confirmed moves: 11.117851
current total energy: -506.547499
recalc. total energy: -506.547499
replica 7 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 36458281
moves confirmed later: 40967341
all moves confirmed: 77425622
percent of confirmed moves: 9.678203
current total energy: -485.673053
recalc. total energy: -485.673053
replica 2 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 42909764
moves confirmed later: 49746324
all moves confirmed: 92656088
percent of confirmed moves: 11.582011
current total energy: -447.839305
recalc. total energy: -447.839305
replica 9 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 46603036
moves confirmed later: 54476453
all moves confirmed: 101079489
percent of confirmed moves: 12.634936
current total energy: -378.754434
recalc. total energy: -378.754434
replica 8 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 73456336
moves confirmed later: 89615837
all moves confirmed: 163072173
percent of confirmed moves: 20.384022
current total energy: -103.192062
recalc. total energy: -103.192062
replica 6 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 70438774
moves confirmed later: 85670345
all moves confirmed: 156109119
percent of confirmed moves: 19.513640
current total energy: -113.124699
recalc. total energy: -113.124699
replica 10 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 75024528
moves confirmed later: 91729071
all moves confirmed: 166753599
percent of confirmed moves: 20.844200
current total energy: -119.494845
recalc. total energy: -119.494845
out arg RESULTS//1/B2-f471e27c_01
Time of doing 8000000 iterations: 10912.221 seconds