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/119-VP1-13b79d4c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/119-VP1-13b79d4c/inputs/seq.fa: 1
curr_seq: _CGGAUAUUUGCGGCCUGUUUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGGAUAUUUGCGGCCUGUUUA
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/119-VP1-13b79d4c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/119-VP1-13b79d4c/inputs/seq.fa: 1
curr_seq: _CGGAUAUUUGCGGCCUGUUUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGGAUAUUUGCGGCCUGUUUA
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/119-VP1-13b79d4c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/119-VP1-13b79d4c/inputs/seq.fa: 1
curr_seq: _CGGAUAUUUGCGGCCUGUUUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGGAUAUUUGCGGCCUGUUUA
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/119-VP1-13b79d4c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/119-VP1-13b79d4c/inputs/seq.fa: 1
curr_seq: _CGGAUAUUUGCGGCCUGUUUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGGAUAUUUGCGGCCUGUUUA
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/119-VP1-13b79d4c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/119-VP1-13b79d4c/inputs/seq.fa: 1
curr_seq: _CGGAUAUUUGCGGCCUGUUUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGGAUAUUUGCGGCCUGUUUA
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/119-VP1-13b79d4c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/119-VP1-13b79d4c/inputs/seq.fa: 1
curr_seq: _CGGAUAUUUGCGGCCUGUUUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGGAUAUUUGCGGCCUGUUUA
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/119-VP1-13b79d4c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/119-VP1-13b79d4c/inputs/seq.fa: 1
curr_seq: _CGGAUAUUUGCGGCCUGUUUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGGAUAUUUGCGGCCUGUUUA
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/119-VP1-13b79d4c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/119-VP1-13b79d4c/inputs/seq.fa: 1
curr_seq: _CGGAUAUUUGCGGCCUGUUUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGGAUAUUUGCGGCCUGUUUA
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/119-VP1-13b79d4c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/119-VP1-13b79d4c/inputs/seq.fa: 1
curr_seq: _CGGAUAUUUGCGGCCUGUUUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGGAUAUUUGCGGCCUGUUUA
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/119-VP1-13b79d4c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/119-VP1-13b79d4c/inputs/seq.fa: 1
curr_seq: _CGGAUAUUUGCGGCCUGUUUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGGAUAUUUGCGGCCUGUUUA
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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: -80.187385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.187385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.187385 (E_RNA)
where:
Base-Base interactions energy: -2.005
where: short stacking energy: -2.005
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -80.187385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.187385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.187385 (E_RNA)
where:
Base-Base interactions energy: -2.005
where: short stacking energy: -2.005
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -80.187385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.187385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.187385 (E_RNA)
where:
Base-Base interactions energy: -2.005
where: short stacking energy: -2.005
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -80.187385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.187385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.187385 (E_RNA)
where:
Base-Base interactions energy: -2.005
where: short stacking energy: -2.005
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -80.187385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.187385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.187385 (E_RNA)
where:
Base-Base interactions energy: -2.005
where: short stacking energy: -2.005
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -80.187385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.187385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.187385 (E_RNA)
where:
Base-Base interactions energy: -2.005
where: short stacking energy: -2.005
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -80.187385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.187385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.187385 (E_RNA)
where:
Base-Base interactions energy: -2.005
where: short stacking energy: -2.005
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -80.187385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.187385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.187385 (E_RNA)
where:
Base-Base interactions energy: -2.005
where: short stacking energy: -2.005
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -80.187385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.187385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.187385 (E_RNA)
where:
Base-Base interactions energy: -2.005
where: short stacking energy: -2.005
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -80.187385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.187385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.187385 (E_RNA)
where:
Base-Base interactions energy: -2.005
where: short stacking energy: -2.005
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -134.275819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.275819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.275819 (E_RNA)
where:
Base-Base interactions energy: -65.394
where: short stacking energy: -50.423
Base-Backbone interact. energy: -0.088
local terms energy: -68.793186
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -15.450
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -16.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -126.071759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.071759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.071759 (E_RNA)
where:
Base-Base interactions energy: -57.688
where: short stacking energy: -57.688
Base-Backbone interact. energy: -0.002
local terms energy: -68.381664
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -14.273
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: 2
Temperature: 1.000000
Total energy: -161.047465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.047465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.047465 (E_RNA)
where:
Base-Base interactions energy: -92.018
where: short stacking energy: -54.445
Base-Backbone interact. energy: -0.301
local terms energy: -68.728527
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -9.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -111.867905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.867905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.867905 (E_RNA)
where:
Base-Base interactions energy: -60.089
where: short stacking energy: -45.968
Base-Backbone interact. energy: -0.134
local terms energy: -51.644606
where:
bonds (distance) C4'-P energy: -6.224
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -10.718
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -95.342377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.342377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.342377 (E_RNA)
where:
Base-Base interactions energy: -33.169
where: short stacking energy: -31.104
Base-Backbone interact. energy: -0.117
local terms energy: -62.056332
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -6.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -102.897444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.897444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.897444 (E_RNA)
where:
Base-Base interactions energy: -45.599
where: short stacking energy: -43.758
Base-Backbone interact. energy: -0.333
local terms energy: -56.965967
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -9.993
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -4.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -108.227791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.227791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.227791 (E_RNA)
where:
Base-Base interactions energy: -52.866
where: short stacking energy: -51.457
Base-Backbone interact. energy: -0.004
local terms energy: -55.358617
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -10.863
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -6.358
tors. eta vs tors. theta energy: -8.568
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: -82.929333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.929333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.929333 (E_RNA)
where:
Base-Base interactions energy: -24.572
where: short stacking energy: -23.258
Base-Backbone interact. energy: -0.017
local terms energy: -58.339850
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -5.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -80.216281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.216281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.216281 (E_RNA)
where:
Base-Base interactions energy: -28.116
where: short stacking energy: -21.606
Base-Backbone interact. energy: -0.165
local terms energy: -51.935793
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -7.024
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -7.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -93.652824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.652824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.652824 (E_RNA)
where:
Base-Base interactions energy: -30.569
where: short stacking energy: -30.569
Base-Backbone interact. energy: -0.105
local terms energy: -62.979373
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -4.892
tors. eta vs tors. theta energy: -10.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -138.184117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.184117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.184117 (E_RNA)
where:
Base-Base interactions energy: -72.972
where: short stacking energy: -47.543
Base-Backbone interact. energy: -0.172
local terms energy: -65.040031
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -6.331
tors. eta vs tors. theta energy: -7.870
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: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -183.282002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.282002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.282002 (E_RNA)
where:
Base-Base interactions energy: -108.720
where: short stacking energy: -59.432
Base-Backbone interact. energy: -1.068
local terms energy: -73.494213
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -16.529
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: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -114.937658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.937658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.937658 (E_RNA)
where:
Base-Base interactions energy: -43.817
where: short stacking energy: -43.817
Base-Backbone interact. energy: -0.001
local terms energy: -71.120125
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -14.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -110.952197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.952197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.952197 (E_RNA)
where:
Base-Base interactions energy: -45.260
where: short stacking energy: -43.771
Base-Backbone interact. energy: -0.018
local terms energy: -65.673687
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -8.572
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: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -105.039958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.039958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.039958 (E_RNA)
where:
Base-Base interactions energy: -40.622
where: short stacking energy: -39.256
Base-Backbone interact. energy: -0.056
local terms energy: -64.361567
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -8.824
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: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -103.946043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.946043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.946043 (E_RNA)
where:
Base-Base interactions energy: -42.801
where: short stacking energy: -42.801
Base-Backbone interact. energy: -0.074
local terms energy: -61.071468
where:
bonds (distance) C4'-P energy: -10.413
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -10.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -83.704275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.704275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.704275 (E_RNA)
where:
Base-Base interactions energy: -30.020
where: short stacking energy: -29.256
Base-Backbone interact. energy: -0.174
local terms energy: -53.510570
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -0.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -83.533375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.533375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.533375 (E_RNA)
where:
Base-Base interactions energy: -29.404
where: short stacking energy: -29.404
Base-Backbone interact. energy: -0.147
local terms energy: -53.982207
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -9.696
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -5.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -80.021139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.021139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.021139 (E_RNA)
where:
Base-Base interactions energy: -30.621
where: short stacking energy: -22.708
Base-Backbone interact. energy: -0.398
local terms energy: -49.001638
where:
bonds (distance) C4'-P energy: -9.491
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -5.043
tors. eta vs tors. theta energy: -3.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -77.313926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.313926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.313926 (E_RNA)
where:
Base-Base interactions energy: -30.480
where: short stacking energy: -30.480
Base-Backbone interact. energy: -0.140
local terms energy: -46.694295
where:
bonds (distance) C4'-P energy: -7.494
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -9.371
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -6.762
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: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -195.730743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.730743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.730743 (E_RNA)
where:
Base-Base interactions energy: -122.604
where: short stacking energy: -62.538
Base-Backbone interact. energy: -0.400
local terms energy: -72.726829
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -14.327
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: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -165.991947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.991947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.991947 (E_RNA)
where:
Base-Base interactions energy: -100.128
where: short stacking energy: -41.560
Base-Backbone interact. energy: -0.872
local terms energy: -64.992020
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -9.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -126.925339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.925339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.925339 (E_RNA)
where:
Base-Base interactions energy: -59.811
where: short stacking energy: -49.453
Base-Backbone interact. energy: -0.000
local terms energy: -67.113836
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -13.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -119.756309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.756309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.756309 (E_RNA)
where:
Base-Base interactions energy: -64.383
where: short stacking energy: -48.095
Base-Backbone interact. energy: -0.005
local terms energy: -55.368120
where:
bonds (distance) C4'-P energy: -8.481
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: -13.690
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: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -97.092026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.092026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.092026 (E_RNA)
where:
Base-Base interactions energy: -50.082
where: short stacking energy: -43.487
Base-Backbone interact. energy: 1.231
local terms energy: -48.241505
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -12.037
flat angles C4'-P-C4' energy: -10.517
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -8.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -106.266443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.266443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.266443 (E_RNA)
where:
Base-Base interactions energy: -40.279
where: short stacking energy: -40.279
Base-Backbone interact. energy: -0.027
local terms energy: -65.961199
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -8.806
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: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -102.159054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.159054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.159054 (E_RNA)
where:
Base-Base interactions energy: -37.802
where: short stacking energy: -33.987
Base-Backbone interact. energy: -0.101
local terms energy: -64.256331
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -8.076
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: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -86.203686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.203686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.203686 (E_RNA)
where:
Base-Base interactions energy: -33.018
where: short stacking energy: -30.895
Base-Backbone interact. energy: -0.066
local terms energy: -53.119069
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -11.069
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -7.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -84.917523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.917523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.917523 (E_RNA)
where:
Base-Base interactions energy: -31.266
where: short stacking energy: -31.266
Base-Backbone interact. energy: -0.205
local terms energy: -53.446718
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: 2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -78.758757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.758757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.758757 (E_RNA)
where:
Base-Base interactions energy: -31.998
where: short stacking energy: -31.998
Base-Backbone interact. energy: -0.106
local terms energy: -46.655258
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -9.876
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: 0.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -206.273993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.273993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.273993 (E_RNA)
where:
Base-Base interactions energy: -133.212
where: short stacking energy: -52.031
Base-Backbone interact. energy: -0.032
local terms energy: -73.030613
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -16.232
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: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -166.963332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.963332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.963332 (E_RNA)
where:
Base-Base interactions energy: -103.493
where: short stacking energy: -50.647
Base-Backbone interact. energy: -1.233
local terms energy: -62.237338
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -11.741
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -10.236
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: 4
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -133.630791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.630791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.630791 (E_RNA)
where:
Base-Base interactions energy: -68.725
where: short stacking energy: -43.281
Base-Backbone interact. energy: -0.883
local terms energy: -64.022474
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -7.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -126.895577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.895577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.895577 (E_RNA)
where:
Base-Base interactions energy: -66.859
where: short stacking energy: -44.565
Base-Backbone interact. energy: 0.056
local terms energy: -60.092490
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -10.300
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: 5, replica: 7
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -94.559581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.559581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.559581 (E_RNA)
where:
Base-Base interactions energy: -33.488
where: short stacking energy: -29.713
Base-Backbone interact. energy: -0.161
local terms energy: -60.911274
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -5.446
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: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -104.830926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.830926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.830926 (E_RNA)
where:
Base-Base interactions energy: -49.840
where: short stacking energy: -30.941
Base-Backbone interact. energy: -0.429
local terms energy: -54.562607
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -8.563
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: 7, replica: 5
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -91.828890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.828890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.828890 (E_RNA)
where:
Base-Base interactions energy: -35.594
where: short stacking energy: -35.994
Base-Backbone interact. energy: -0.183
local terms energy: -56.051670
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -5.166
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: 5
Temperature: 1.250000
Total energy: -94.082279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.082279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.082279 (E_RNA)
where:
Base-Base interactions energy: -37.239
where: short stacking energy: -20.838
Base-Backbone interact. energy: -0.716
local terms energy: -56.127152
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -1.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -91.741297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.741297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.741297 (E_RNA)
where:
Base-Base interactions energy: -36.561
where: short stacking energy: -28.573
Base-Backbone interact. energy: -0.065
local terms energy: -55.115503
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -6.544
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: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -81.674023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.674023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.674023 (E_RNA)
where:
Base-Base interactions energy: -31.039
where: short stacking energy: -29.933
Base-Backbone interact. energy: -0.867
local terms energy: -49.767457
where:
bonds (distance) C4'-P energy: -10.470
bonds (distance) P-C4' energy: -9.603
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -8.647
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: 1, replica: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -210.699016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.699016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.699016 (E_RNA)
where:
Base-Base interactions energy: -139.848
where: short stacking energy: -67.205
Base-Backbone interact. energy: -0.326
local terms energy: -70.524315
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -19.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -174.877621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.877621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.877621 (E_RNA)
where:
Base-Base interactions energy: -107.448
where: short stacking energy: -49.395
Base-Backbone interact. energy: 0.634
local terms energy: -68.063305
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -9.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -183.219242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.219242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.219242 (E_RNA)
where:
Base-Base interactions energy: -119.183
where: short stacking energy: -54.365
Base-Backbone interact. energy: -1.337
local terms energy: -62.699276
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -13.825
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: 6
Temperature: 1.050000
Total energy: -116.003611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.003611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.003611 (E_RNA)
where:
Base-Base interactions energy: -57.304
where: short stacking energy: -34.791
Base-Backbone interact. energy: -1.384
local terms energy: -57.315825
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -5.436
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: 9
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -100.547551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.547551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.547551 (E_RNA)
where:
Base-Base interactions energy: -41.095
where: short stacking energy: -35.026
Base-Backbone interact. energy: -0.056
local terms energy: -59.396985
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -2.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -99.411407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.411407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.411407 (E_RNA)
where:
Base-Base interactions energy: -38.028
where: short stacking energy: -38.028
Base-Backbone interact. energy: -0.032
local terms energy: -61.351433
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -11.553
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: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -98.800644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.800644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.800644 (E_RNA)
where:
Base-Base interactions energy: -43.011
where: short stacking energy: -30.553
Base-Backbone interact. energy: -0.010
local terms energy: -55.779165
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: -6.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -87.851262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.851262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.851262 (E_RNA)
where:
Base-Base interactions energy: -33.180
where: short stacking energy: -24.618
Base-Backbone interact. energy: -0.170
local terms energy: -54.501901
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -0.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -77.929768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.929768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.929768 (E_RNA)
where:
Base-Base interactions energy: -26.323
where: short stacking energy: -26.323
Base-Backbone interact. energy: -0.211
local terms energy: -51.395984
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -4.971
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: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -73.049388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.049388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.049388 (E_RNA)
where:
Base-Base interactions energy: -28.744
where: short stacking energy: -27.925
Base-Backbone interact. energy: 0.132
local terms energy: -44.437572
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -7.662
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -0.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -213.060060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.060060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.060060 (E_RNA)
where:
Base-Base interactions energy: -140.135
where: short stacking energy: -69.325
Base-Backbone interact. energy: -0.126
local terms energy: -72.799308
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -18.382
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: 2, replica: 2
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -176.893815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.893815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.893815 (E_RNA)
where:
Base-Base interactions energy: -110.612
where: short stacking energy: -61.352
Base-Backbone interact. energy: -0.025
local terms energy: -66.256395
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -16.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -163.645540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.645540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.645540 (E_RNA)
where:
Base-Base interactions energy: -103.009
where: short stacking energy: -38.250
Base-Backbone interact. energy: -0.786
local terms energy: -59.850323
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -8.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -139.851835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.851835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.851835 (E_RNA)
where:
Base-Base interactions energy: -77.020
where: short stacking energy: -46.654
Base-Backbone interact. energy: -0.801
local terms energy: -62.030561
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -7.878
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: 5, replica: 9
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -107.172092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.172092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.172092 (E_RNA)
where:
Base-Base interactions energy: -48.300
where: short stacking energy: -38.606
Base-Backbone interact. energy: -0.076
local terms energy: -58.795510
where:
bonds (distance) C4'-P energy: -10.217
bonds (distance) P-C4' energy: -11.664
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -6.980
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: 6
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -94.721691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.721691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.721691 (E_RNA)
where:
Base-Base interactions energy: -48.750
where: short stacking energy: -33.207
Base-Backbone interact. energy: -0.254
local terms energy: -45.718075
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -10.885
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -3.090
tors. eta vs tors. theta energy: -6.070
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: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -96.059629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.059629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.059629 (E_RNA)
where:
Base-Base interactions energy: -38.709
where: short stacking energy: -28.303
Base-Backbone interact. energy: -0.110
local terms energy: -57.240501
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -10.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -78.235308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.235308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.235308 (E_RNA)
where:
Base-Base interactions energy: -32.080
where: short stacking energy: -26.485
Base-Backbone interact. energy: -0.032
local terms energy: -46.122954
where:
bonds (distance) C4'-P energy: -7.942
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -5.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -79.534463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.534463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.534463 (E_RNA)
where:
Base-Base interactions energy: -39.245
where: short stacking energy: -30.339
Base-Backbone interact. energy: -0.282
local terms energy: -40.007441
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -6.097
flat angles P-C4'-P energy: -7.696
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: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -81.167051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.167051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.167051 (E_RNA)
where:
Base-Base interactions energy: -28.017
where: short stacking energy: -21.145
Base-Backbone interact. energy: -0.603
local terms energy: -52.547734
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -5.935
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: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -180.876592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.876592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.876592 (E_RNA)
where:
Base-Base interactions energy: -112.230
where: short stacking energy: -55.605
Base-Backbone interact. energy: -0.088
local terms energy: -68.558067
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -12.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -204.524588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.524588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.524588 (E_RNA)
where:
Base-Base interactions energy: -135.709
where: short stacking energy: -61.162
Base-Backbone interact. energy: -0.022
local terms energy: -68.793638
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -18.530
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -15.098
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: 3, replica: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -175.311925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.311925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.311925 (E_RNA)
where:
Base-Base interactions energy: -103.751
where: short stacking energy: -59.785
Base-Backbone interact. energy: -0.156
local terms energy: -71.405530
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -13.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -144.748750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.748750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.748750 (E_RNA)
where:
Base-Base interactions energy: -89.420
where: short stacking energy: -40.864
Base-Backbone interact. energy: -1.559
local terms energy: -53.770004
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -13.227
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -1.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -118.630048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.630048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.630048 (E_RNA)
where:
Base-Base interactions energy: -57.118
where: short stacking energy: -46.185
Base-Backbone interact. energy: 1.544
local terms energy: -63.055823
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -6.712
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: 6, replica: 9
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -138.195118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.195118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.195118 (E_RNA)
where:
Base-Base interactions energy: -79.133
where: short stacking energy: -39.566
Base-Backbone interact. energy: -0.117
local terms energy: -58.944395
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -3.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -82.954259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.954259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.954259 (E_RNA)
where:
Base-Base interactions energy: -30.678
where: short stacking energy: -25.895
Base-Backbone interact. energy: -0.236
local terms energy: -52.040943
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -2.510
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: 8
Temperature: 1.250000
Total energy: -92.038927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.038927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.038927 (E_RNA)
where:
Base-Base interactions energy: -43.249
where: short stacking energy: -34.557
Base-Backbone interact. energy: -0.005
local terms energy: -48.784966
where:
bonds (distance) C4'-P energy: -8.866
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -6.084
tors. eta vs tors. theta energy: -7.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -91.585914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.585914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.585914 (E_RNA)
where:
Base-Base interactions energy: -39.551
where: short stacking energy: -39.551
Base-Backbone interact. energy: -0.189
local terms energy: -51.846547
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -3.840
tors. eta vs tors. theta energy: -6.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -86.234848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.234848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.234848 (E_RNA)
where:
Base-Base interactions energy: -43.739
where: short stacking energy: -37.809
Base-Backbone interact. energy: -0.134
local terms energy: -42.361918
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -9.259
flat angles P-C4'-P energy: -2.134
tors. eta vs tors. theta energy: -3.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -184.174977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.174977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.174977 (E_RNA)
where:
Base-Base interactions energy: -106.219
where: short stacking energy: -56.651
Base-Backbone interact. energy: -0.563
local terms energy: -77.393276
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -17.892
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: 2, replica: 4
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -191.899942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.899942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.899942 (E_RNA)
where:
Base-Base interactions energy: -119.070
where: short stacking energy: -58.846
Base-Backbone interact. energy: -0.439
local terms energy: -72.391130
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -10.175
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -16.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -186.335649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.335649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.335649 (E_RNA)
where:
Base-Base interactions energy: -115.618
where: short stacking energy: -57.883
Base-Backbone interact. energy: -0.266
local terms energy: -70.451724
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -12.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -187.623825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.623825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.623825 (E_RNA)
where:
Base-Base interactions energy: -118.634
where: short stacking energy: -64.259
Base-Backbone interact. energy: -0.018
local terms energy: -68.971598
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -7.768
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: 5, replica: 6
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -103.277750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.277750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.277750 (E_RNA)
where:
Base-Base interactions energy: -47.449
where: short stacking energy: -35.353
Base-Backbone interact. energy: -0.316
local terms energy: -55.512792
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -2.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -134.418360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.418360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.418360 (E_RNA)
where:
Base-Base interactions energy: -76.911
where: short stacking energy: -35.508
Base-Backbone interact. energy: 0.124
local terms energy: -57.631645
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -11.169
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: 7, replica: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -87.841321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.841321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.841321 (E_RNA)
where:
Base-Base interactions energy: -34.190
where: short stacking energy: -34.190
Base-Backbone interact. energy: -0.178
local terms energy: -53.474013
where:
bonds (distance) C4'-P energy: -10.158
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -7.018
tors. eta vs tors. theta energy: -8.329
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: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -82.930647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.930647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.930647 (E_RNA)
where:
Base-Base interactions energy: -29.235
where: short stacking energy: -24.272
Base-Backbone interact. energy: -0.202
local terms energy: -53.494219
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -3.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -88.686940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.686940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.686940 (E_RNA)
where:
Base-Base interactions energy: -30.810
where: short stacking energy: -26.458
Base-Backbone interact. energy: -0.205
local terms energy: -57.672535
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -2.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -85.774495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.774495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.774495 (E_RNA)
where:
Base-Base interactions energy: -41.211
where: short stacking energy: -24.326
Base-Backbone interact. energy: -1.022
local terms energy: -43.541521
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -9.344
flat angles P-C4'-P energy: -5.353
tors. eta vs tors. theta energy: -1.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -193.199745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.199745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.199745 (E_RNA)
where:
Base-Base interactions energy: -111.692
where: short stacking energy: -67.824
Base-Backbone interact. energy: -0.032
local terms energy: -81.475813
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -20.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -192.968989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.968989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.968989 (E_RNA)
where:
Base-Base interactions energy: -118.327
where: short stacking energy: -54.939
Base-Backbone interact. energy: -1.244
local terms energy: -73.398195
where:
bonds (distance) C4'-P energy: -18.652
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -15.945
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: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -196.950118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.950118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.950118 (E_RNA)
where:
Base-Base interactions energy: -120.315
where: short stacking energy: -60.244
Base-Backbone interact. energy: -0.781
local terms energy: -75.854374
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -18.070
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: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -174.561180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.561180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.561180 (E_RNA)
where:
Base-Base interactions energy: -103.846
where: short stacking energy: -55.486
Base-Backbone interact. energy: -0.002
local terms energy: -70.713572
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -16.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -161.597123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.597123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.597123 (E_RNA)
where:
Base-Base interactions energy: -97.312
where: short stacking energy: -61.660
Base-Backbone interact. energy: -0.059
local terms energy: -64.225846
where:
bonds (distance) C4'-P energy: -11.012
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -7.465
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -18.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -97.752049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.752049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.752049 (E_RNA)
where:
Base-Base interactions energy: -39.963
where: short stacking energy: -35.896
Base-Backbone interact. energy: -0.699
local terms energy: -57.090281
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -3.393
tors. eta vs tors. theta energy: -8.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -92.142010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.142010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.142010 (E_RNA)
where:
Base-Base interactions energy: -36.276
where: short stacking energy: -30.236
Base-Backbone interact. energy: 0.235
local terms energy: -56.100927
where:
bonds (distance) C4'-P energy: -18.296
bonds (distance) P-C4' energy: -11.101
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -4.142
tors. eta vs tors. theta energy: -8.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -84.670935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.670935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.670935 (E_RNA)
where:
Base-Base interactions energy: -32.735
where: short stacking energy: -32.735
Base-Backbone interact. energy: -0.042
local terms energy: -51.893394
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -8.991
flat angles P-C4'-P energy: -11.607
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: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -72.761677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.761677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.761677 (E_RNA)
where:
Base-Base interactions energy: -21.572
where: short stacking energy: -21.572
Base-Backbone interact. energy: -0.261
local terms energy: -50.929556
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -2.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -81.632927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.632927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.632927 (E_RNA)
where:
Base-Base interactions energy: -30.909
where: short stacking energy: -24.400
Base-Backbone interact. energy: -0.675
local terms energy: -50.049527
where:
bonds (distance) C4'-P energy: -9.930
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -2.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -190.463918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.463918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.463918 (E_RNA)
where:
Base-Base interactions energy: -112.571
where: short stacking energy: -64.356
Base-Backbone interact. energy: -0.632
local terms energy: -77.260363
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -18.481
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: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -170.285925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.285925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.285925 (E_RNA)
where:
Base-Base interactions energy: -101.651
where: short stacking energy: -49.886
Base-Backbone interact. energy: -0.778
local terms energy: -67.856825
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -12.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -189.897789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.897789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.897789 (E_RNA)
where:
Base-Base interactions energy: -122.202
where: short stacking energy: -71.404
Base-Backbone interact. energy: -0.213
local terms energy: -67.482774
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -9.287
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -17.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -189.261105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.261105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.261105 (E_RNA)
where:
Base-Base interactions energy: -118.880
where: short stacking energy: -62.353
Base-Backbone interact. energy: -0.130
local terms energy: -70.251036
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -15.739
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -14.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -153.412900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.412900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.412900 (E_RNA)
where:
Base-Base interactions energy: -86.601
where: short stacking energy: -42.190
Base-Backbone interact. energy: 0.138
local terms energy: -66.950024
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -14.151
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: 6, replica: 8
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -92.482128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.482128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.482128 (E_RNA)
where:
Base-Base interactions energy: -40.822
where: short stacking energy: -35.781
Base-Backbone interact. energy: -0.375
local terms energy: -51.285601
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -9.232
flat angles P-C4'-P energy: -8.163
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: 7, replica: 6
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -97.202807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.202807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.202807 (E_RNA)
where:
Base-Base interactions energy: -39.439
where: short stacking energy: -26.081
Base-Backbone interact. energy: -0.167
local terms energy: -57.597466
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -3.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -94.462990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.462990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.462990 (E_RNA)
where:
Base-Base interactions energy: -33.673
where: short stacking energy: -33.385
Base-Backbone interact. energy: -0.470
local terms energy: -60.320167
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -7.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -85.338259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.338259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.338259 (E_RNA)
where:
Base-Base interactions energy: -26.090
where: short stacking energy: -22.753
Base-Backbone interact. energy: -0.062
local terms energy: -59.186538
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -3.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -76.908631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.908631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.908631 (E_RNA)
where:
Base-Base interactions energy: -28.937
where: short stacking energy: -28.644
Base-Backbone interact. energy: -0.008
local terms energy: -47.963276
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -9.361
flat angles P-C4'-P energy: -6.245
tors. eta vs tors. theta energy: -2.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -183.972536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.972536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.972536 (E_RNA)
where:
Base-Base interactions energy: -109.441
where: short stacking energy: -64.324
Base-Backbone interact. energy: -0.031
local terms energy: -74.500895
where:
bonds (distance) C4'-P energy: -17.140
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -15.661
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: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -174.747194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.747194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.747194 (E_RNA)
where:
Base-Base interactions energy: -106.610
where: short stacking energy: -49.035
Base-Backbone interact. energy: -0.091
local terms energy: -68.046113
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -14.165
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: 3
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -180.339261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.339261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.339261 (E_RNA)
where:
Base-Base interactions energy: -111.364
where: short stacking energy: -60.310
Base-Backbone interact. energy: -0.012
local terms energy: -68.962941
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -14.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -187.478457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.478457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.478457 (E_RNA)
where:
Base-Base interactions energy: -125.141
where: short stacking energy: -62.877
Base-Backbone interact. energy: -0.183
local terms energy: -62.153639
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -12.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -151.772555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.772555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.772555 (E_RNA)
where:
Base-Base interactions energy: -97.604
where: short stacking energy: -48.475
Base-Backbone interact. energy: -0.092
local terms energy: -54.076631
where:
bonds (distance) C4'-P energy: -3.724
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -7.475
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: 8
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -110.292495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.292495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.292495 (E_RNA)
where:
Base-Base interactions energy: -57.784
where: short stacking energy: -37.070
Base-Backbone interact. energy: -0.076
local terms energy: -52.432266
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -8.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -114.831656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.831656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.831656 (E_RNA)
where:
Base-Base interactions energy: -56.217
where: short stacking energy: -46.783
Base-Backbone interact. energy: -0.100
local terms energy: -58.515037
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -13.252
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -9.419
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: 10
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -82.636904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.636904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.636904 (E_RNA)
where:
Base-Base interactions energy: -35.606
where: short stacking energy: -30.268
Base-Backbone interact. energy: 0.757
local terms energy: -47.787988
where:
bonds (distance) C4'-P energy: -9.204
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -4.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -86.987451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.987451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.987451 (E_RNA)
where:
Base-Base interactions energy: -25.188
where: short stacking energy: -25.188
Base-Backbone interact. energy: -0.045
local terms energy: -61.753597
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -4.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -95.293368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.293368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.293368 (E_RNA)
where:
Base-Base interactions energy: -38.482
where: short stacking energy: -38.582
Base-Backbone interact. energy: 0.027
local terms energy: -56.838031
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -6.543
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: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -189.560738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.560738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.560738 (E_RNA)
where:
Base-Base interactions energy: -116.141
where: short stacking energy: -60.261
Base-Backbone interact. energy: -1.064
local terms energy: -72.355427
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -17.651
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -14.316
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: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -194.293049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.293049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.293049 (E_RNA)
where:
Base-Base interactions energy: -119.686
where: short stacking energy: -63.113
Base-Backbone interact. energy: -0.010
local terms energy: -74.597214
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -16.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -188.094112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.094112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.094112 (E_RNA)
where:
Base-Base interactions energy: -110.002
where: short stacking energy: -61.978
Base-Backbone interact. energy: -0.049
local terms energy: -78.043572
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -15.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -173.968869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.968869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.968869 (E_RNA)
where:
Base-Base interactions energy: -109.888
where: short stacking energy: -55.214
Base-Backbone interact. energy: -1.733
local terms energy: -62.348483
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -4.436
tors. eta vs tors. theta energy: -16.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -155.328429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.328429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.328429 (E_RNA)
where:
Base-Base interactions energy: -95.836
where: short stacking energy: -45.218
Base-Backbone interact. energy: -0.427
local terms energy: -59.065594
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -5.995
tors. eta vs tors. theta energy: -11.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -93.520775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.520775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.520775 (E_RNA)
where:
Base-Base interactions energy: -40.173
where: short stacking energy: -33.352
Base-Backbone interact. energy: -0.082
local terms energy: -53.265165
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -5.483
tors. eta vs tors. theta energy: -5.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -100.929650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.929650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.929650 (E_RNA)
where:
Base-Base interactions energy: -43.881
where: short stacking energy: -30.331
Base-Backbone interact. energy: -0.058
local terms energy: -56.990782
where:
bonds (distance) C4'-P energy: -10.084
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -6.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -91.301869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.301869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.301869 (E_RNA)
where:
Base-Base interactions energy: -36.069
where: short stacking energy: -35.857
Base-Backbone interact. energy: -0.011
local terms energy: -55.222396
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -6.233
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: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -74.339485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.339485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.339485 (E_RNA)
where:
Base-Base interactions energy: -25.984
where: short stacking energy: -20.583
Base-Backbone interact. energy: -1.355
local terms energy: -47.001107
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -9.792
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: 6.418
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: 10, replica: 5
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -76.696197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.696197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.696197 (E_RNA)
where:
Base-Base interactions energy: -27.974
where: short stacking energy: -27.974
Base-Backbone interact. energy: 0.566
local terms energy: -49.287830
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -2.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -196.939736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.939736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.939736 (E_RNA)
where:
Base-Base interactions energy: -121.717
where: short stacking energy: -60.087
Base-Backbone interact. energy: -0.969
local terms energy: -74.253513
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -18.923
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: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -174.906146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.906146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.906146 (E_RNA)
where:
Base-Base interactions energy: -105.654
where: short stacking energy: -55.256
Base-Backbone interact. energy: -0.164
local terms energy: -69.087928
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -11.959
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: 4
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -179.038101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.038101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.038101 (E_RNA)
where:
Base-Base interactions energy: -102.104
where: short stacking energy: -52.352
Base-Backbone interact. energy: -0.138
local terms energy: -76.795814
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -15.422
flat angles C4'-P-C4' energy: -18.376
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -16.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -173.221064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.221064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.221064 (E_RNA)
where:
Base-Base interactions energy: -109.318
where: short stacking energy: -58.814
Base-Backbone interact. energy: -0.103
local terms energy: -63.800118
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -12.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -159.778043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.778043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.778043 (E_RNA)
where:
Base-Base interactions energy: -101.279
where: short stacking energy: -45.691
Base-Backbone interact. energy: -0.703
local terms energy: -57.795301
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -10.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -96.093762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.093762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.093762 (E_RNA)
where:
Base-Base interactions energy: -37.787
where: short stacking energy: -32.789
Base-Backbone interact. energy: -0.271
local terms energy: -58.035813
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -3.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -94.249196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.249196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.249196 (E_RNA)
where:
Base-Base interactions energy: -32.766
where: short stacking energy: -32.766
Base-Backbone interact. energy: 0.737
local terms energy: -62.220568
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -6.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -91.107520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.107520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.107520 (E_RNA)
where:
Base-Base interactions energy: -44.865
where: short stacking energy: -35.539
Base-Backbone interact. energy: 0.229
local terms energy: -46.471976
where:
bonds (distance) C4'-P energy: -10.384
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -3.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -73.465249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.465249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.465249 (E_RNA)
where:
Base-Base interactions energy: -25.093
where: short stacking energy: -23.919
Base-Backbone interact. energy: -0.559
local terms energy: -47.813373
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -2.737
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: 10, replica: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -70.360557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.360557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.360557 (E_RNA)
where:
Base-Base interactions energy: -19.647
where: short stacking energy: -19.647
Base-Backbone interact. energy: -0.752
local terms energy: -49.961309
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -5.814
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: 3
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -199.399944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.399944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.399944 (E_RNA)
where:
Base-Base interactions energy: -122.338
where: short stacking energy: -67.890
Base-Backbone interact. energy: -0.105
local terms energy: -76.956664
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -18.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -188.853353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.853353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.853353 (E_RNA)
where:
Base-Base interactions energy: -112.877
where: short stacking energy: -55.791
Base-Backbone interact. energy: -0.597
local terms energy: -75.379982
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -15.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -183.605175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.605175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.605175 (E_RNA)
where:
Base-Base interactions energy: -111.018
where: short stacking energy: -54.073
Base-Backbone interact. energy: -0.079
local terms energy: -72.508468
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -14.080
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: 4, replica: 9
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -175.720230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.720230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.720230 (E_RNA)
where:
Base-Base interactions energy: -106.320
where: short stacking energy: -57.755
Base-Backbone interact. energy: -0.023
local terms energy: -69.377616
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -9.626
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -16.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -144.006171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.006171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.006171 (E_RNA)
where:
Base-Base interactions energy: -87.859
where: short stacking energy: -42.477
Base-Backbone interact. energy: -0.306
local terms energy: -55.840705
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -4.817
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: 6, replica: 7
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -100.484494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.484494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.484494 (E_RNA)
where:
Base-Base interactions energy: -35.814
where: short stacking energy: -34.584
Base-Backbone interact. energy: -0.052
local terms energy: -64.618161
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -5.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -94.797621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.797621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.797621 (E_RNA)
where:
Base-Base interactions energy: -37.574
where: short stacking energy: -37.574
Base-Backbone interact. energy: -0.056
local terms energy: -57.167468
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -2.713
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: 5
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -83.466784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.466784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.466784 (E_RNA)
where:
Base-Base interactions energy: -30.321
where: short stacking energy: -29.083
Base-Backbone interact. energy: -0.125
local terms energy: -53.020193
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -4.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -84.737992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.737992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.737992 (E_RNA)
where:
Base-Base interactions energy: -31.481
where: short stacking energy: -30.537
Base-Backbone interact. energy: -0.042
local terms energy: -53.215397
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -9.519
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -6.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -78.036087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.036087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.036087 (E_RNA)
where:
Base-Base interactions energy: -33.678
where: short stacking energy: -25.510
Base-Backbone interact. energy: 2.133
local terms energy: -46.491272
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -5.594
tors. eta vs tors. theta energy: 3.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -207.170104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.170104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.170104 (E_RNA)
where:
Base-Base interactions energy: -130.720
where: short stacking energy: -64.505
Base-Backbone interact. energy: -0.211
local terms energy: -76.239094
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -18.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -186.744092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.744092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.744092 (E_RNA)
where:
Base-Base interactions energy: -112.372
where: short stacking energy: -64.340
Base-Backbone interact. energy: -0.137
local terms energy: -74.234819
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -17.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -193.991002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.991002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.991002 (E_RNA)
where:
Base-Base interactions energy: -118.796
where: short stacking energy: -60.586
Base-Backbone interact. energy: -0.012
local terms energy: -75.182985
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -17.703
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: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -167.617483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.617483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.617483 (E_RNA)
where:
Base-Base interactions energy: -99.136
where: short stacking energy: -54.389
Base-Backbone interact. energy: -0.834
local terms energy: -67.647938
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -12.997
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: 5, replica: 1
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -143.860460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.860460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.860460 (E_RNA)
where:
Base-Base interactions energy: -92.679
where: short stacking energy: -36.803
Base-Backbone interact. energy: -0.326
local terms energy: -50.854692
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -8.058
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -1.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -113.447266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.447266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.447266 (E_RNA)
where:
Base-Base interactions energy: -49.761
where: short stacking energy: -41.118
Base-Backbone interact. energy: -1.252
local terms energy: -62.433957
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -7.256
tors. eta vs tors. theta energy: -12.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -117.817310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.817310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.817310 (E_RNA)
where:
Base-Base interactions energy: -53.622
where: short stacking energy: -32.054
Base-Backbone interact. energy: -0.413
local terms energy: -63.782398
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -10.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -74.510484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.510484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.510484 (E_RNA)
where:
Base-Base interactions energy: -19.889
where: short stacking energy: -19.889
Base-Backbone interact. energy: -0.095
local terms energy: -54.527062
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -1.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -79.880218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.880218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.880218 (E_RNA)
where:
Base-Base interactions energy: -26.826
where: short stacking energy: -14.119
Base-Backbone interact. energy: -0.146
local terms energy: -52.907825
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -6.938
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: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -77.827818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.827818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.827818 (E_RNA)
where:
Base-Base interactions energy: -29.210
where: short stacking energy: -28.812
Base-Backbone interact. energy: -0.278
local terms energy: -48.339349
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -6.282
tors. eta vs tors. theta energy: 1.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -200.362313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.362313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.362313 (E_RNA)
where:
Base-Base interactions energy: -125.015
where: short stacking energy: -63.691
Base-Backbone interact. energy: 0.242
local terms energy: -75.589164
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -15.822
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: 9
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -196.168190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.168190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.168190 (E_RNA)
where:
Base-Base interactions energy: -117.637
where: short stacking energy: -66.435
Base-Backbone interact. energy: -0.026
local terms energy: -78.504878
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -18.286
flat angles P-C4'-P energy: -9.488
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: 3, replica: 4
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -179.150731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.150731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.150731 (E_RNA)
where:
Base-Base interactions energy: -109.176
where: short stacking energy: -55.225
Base-Backbone interact. energy: -0.041
local terms energy: -69.933860
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -14.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -152.669300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.669300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.669300 (E_RNA)
where:
Base-Base interactions energy: -91.081
where: short stacking energy: -43.953
Base-Backbone interact. energy: -0.320
local terms energy: -61.269018
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -4.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -166.542483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.542483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.542483 (E_RNA)
where:
Base-Base interactions energy: -100.889
where: short stacking energy: -56.626
Base-Backbone interact. energy: -0.738
local terms energy: -64.915249
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -15.738
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: 5
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -111.749920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.749920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.749920 (E_RNA)
where:
Base-Base interactions energy: -56.198
where: short stacking energy: -29.242
Base-Backbone interact. energy: -0.098
local terms energy: -55.453327
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -15.718
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -6.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -82.583970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.583970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.583970 (E_RNA)
where:
Base-Base interactions energy: -31.532
where: short stacking energy: -22.951
Base-Backbone interact. energy: -0.154
local terms energy: -50.897856
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -8.927
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -1.170
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: 10
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -86.116356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.116356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.116356 (E_RNA)
where:
Base-Base interactions energy: -34.211
where: short stacking energy: -34.068
Base-Backbone interact. energy: 1.444
local terms energy: -53.349081
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -2.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -79.402933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.402933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.402933 (E_RNA)
where:
Base-Base interactions energy: -23.431
where: short stacking energy: -18.739
Base-Backbone interact. energy: -0.016
local terms energy: -55.956292
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -9.861
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -74.157033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.157033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.157033 (E_RNA)
where:
Base-Base interactions energy: -27.525
where: short stacking energy: -19.316
Base-Backbone interact. energy: -0.400
local terms energy: -46.232702
where:
bonds (distance) C4'-P energy: -9.442
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -10.452
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: 18
Temperature: 0.900000
Total energy: -202.693031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.693031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.693031 (E_RNA)
where:
Base-Base interactions energy: -123.481
where: short stacking energy: -70.182
Base-Backbone interact. energy: -0.004
local terms energy: -79.208331
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -19.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -185.817065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.817065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.817065 (E_RNA)
where:
Base-Base interactions energy: -115.478
where: short stacking energy: -56.836
Base-Backbone interact. energy: -0.001
local terms energy: -70.337971
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -15.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -183.366364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.366364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.366364 (E_RNA)
where:
Base-Base interactions energy: -116.508
where: short stacking energy: -52.887
Base-Backbone interact. energy: -0.050
local terms energy: -66.808523
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -16.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -167.514920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.514920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.514920 (E_RNA)
where:
Base-Base interactions energy: -95.935
where: short stacking energy: -55.678
Base-Backbone interact. energy: -0.029
local terms energy: -71.550580
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -15.381
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: 5
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -100.778262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.778262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.778262 (E_RNA)
where:
Base-Base interactions energy: -45.270
where: short stacking energy: -35.879
Base-Backbone interact. energy: -0.017
local terms energy: -55.491166
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -6.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -170.132084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.132084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.132084 (E_RNA)
where:
Base-Base interactions energy: -101.972
where: short stacking energy: -54.724
Base-Backbone interact. energy: -0.009
local terms energy: -68.150786
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -12.267
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: 10
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -87.815644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.815644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.815644 (E_RNA)
where:
Base-Base interactions energy: -33.510
where: short stacking energy: -28.697
Base-Backbone interact. energy: -0.078
local terms energy: -54.228035
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -3.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -81.375361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.375361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.375361 (E_RNA)
where:
Base-Base interactions energy: -28.809
where: short stacking energy: -28.809
Base-Backbone interact. energy: 0.734
local terms energy: -53.300740
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -10.808
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -5.834
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: 18
Temperature: 1.300000
Total energy: -79.497718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.497718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.497718 (E_RNA)
where:
Base-Base interactions energy: -26.428
where: short stacking energy: -26.428
Base-Backbone interact. energy: 0.632
local terms energy: -53.702106
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -2.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -73.184682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.184682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.184682 (E_RNA)
where:
Base-Base interactions energy: -28.934
where: short stacking energy: -28.934
Base-Backbone interact. energy: 0.125
local terms energy: -44.376173
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -5.706
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -4.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -204.472009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.472009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.472009 (E_RNA)
where:
Base-Base interactions energy: -125.533
where: short stacking energy: -65.408
Base-Backbone interact. energy: -0.518
local terms energy: -78.420324
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -19.964
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: 19
Temperature: 0.950000
Total energy: -173.308007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.308007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.308007 (E_RNA)
where:
Base-Base interactions energy: -99.904
where: short stacking energy: -54.953
Base-Backbone interact. energy: -0.264
local terms energy: -73.140287
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -12.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -178.582250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.582250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.582250 (E_RNA)
where:
Base-Base interactions energy: -108.158
where: short stacking energy: -60.002
Base-Backbone interact. energy: -0.697
local terms energy: -69.727272
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -14.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -166.647509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.647509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.647509 (E_RNA)
where:
Base-Base interactions energy: -102.105
where: short stacking energy: -48.988
Base-Backbone interact. energy: -0.068
local terms energy: -64.474641
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -9.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -111.714416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.714416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.714416 (E_RNA)
where:
Base-Base interactions energy: -39.902
where: short stacking energy: -40.202
Base-Backbone interact. energy: -0.051
local terms energy: -71.761238
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -14.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -167.562097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.562097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.562097 (E_RNA)
where:
Base-Base interactions energy: -98.791
where: short stacking energy: -62.106
Base-Backbone interact. energy: -0.220
local terms energy: -68.550661
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -15.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -82.497420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.497420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.497420 (E_RNA)
where:
Base-Base interactions energy: -36.806
where: short stacking energy: -29.373
Base-Backbone interact. energy: 2.556
local terms energy: -48.248109
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -3.272
tors. eta vs tors. theta energy: -4.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -83.343726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.343726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.343726 (E_RNA)
where:
Base-Base interactions energy: -31.400
where: short stacking energy: -22.039
Base-Backbone interact. energy: -0.259
local terms energy: -51.685493
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -2.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -76.149390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.149390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.149390 (E_RNA)
where:
Base-Base interactions energy: -31.640
where: short stacking energy: -29.932
Base-Backbone interact. energy: -0.079
local terms energy: -44.430364
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -4.766
flat angles P-C4'-P energy: -7.125
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: 10, replica: 6
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -74.281083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.281083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.281083 (E_RNA)
where:
Base-Base interactions energy: -22.079
where: short stacking energy: -19.934
Base-Backbone interact. energy: 0.452
local terms energy: -52.654253
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -10.063
flat angles P-C4'-P energy: -6.313
tors. eta vs tors. theta energy: -2.338
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: 20
Temperature: 0.900000
Total energy: -204.782720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.782720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.782720 (E_RNA)
where:
Base-Base interactions energy: -131.647
where: short stacking energy: -58.023
Base-Backbone interact. energy: -0.142
local terms energy: -72.993822
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -20.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -201.923887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.923887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.923887 (E_RNA)
where:
Base-Base interactions energy: -124.412
where: short stacking energy: -63.797
Base-Backbone interact. energy: -0.416
local terms energy: -77.096271
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -20.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -184.785569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.785569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.785569 (E_RNA)
where:
Base-Base interactions energy: -111.862
where: short stacking energy: -70.888
Base-Backbone interact. energy: -0.110
local terms energy: -72.813272
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -18.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -165.506830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.506830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.506830 (E_RNA)
where:
Base-Base interactions energy: -97.895
where: short stacking energy: -51.837
Base-Backbone interact. energy: -0.003
local terms energy: -67.608627
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -13.620
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: 20
Temperature: 1.100000
Total energy: -164.904502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.904502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.904502 (E_RNA)
where:
Base-Base interactions energy: -99.843
where: short stacking energy: -51.418
Base-Backbone interact. energy: -0.010
local terms energy: -65.051896
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -15.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -100.108605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.108605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.108605 (E_RNA)
where:
Base-Base interactions energy: -42.186
where: short stacking energy: -38.215
Base-Backbone interact. energy: -0.260
local terms energy: -57.661927
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -4.655
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: 8
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -88.352425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.352425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.352425 (E_RNA)
where:
Base-Base interactions energy: -32.417
where: short stacking energy: -24.910
Base-Backbone interact. energy: -0.496
local terms energy: -55.439451
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -6.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -96.750311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.750311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.750311 (E_RNA)
where:
Base-Base interactions energy: -42.074
where: short stacking energy: -42.074
Base-Backbone interact. energy: -0.039
local terms energy: -54.637298
where:
bonds (distance) C4'-P energy: -8.857
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -7.762
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -14.688
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: 6
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -84.659051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.659051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.659051 (E_RNA)
where:
Base-Base interactions energy: -31.114
where: short stacking energy: -27.656
Base-Backbone interact. energy: 0.405
local terms energy: -53.949975
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -3.856
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: 10, replica: 7
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -98.767754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.767754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.767754 (E_RNA)
where:
Base-Base interactions energy: -47.585
where: short stacking energy: -28.456
Base-Backbone interact. energy: -0.308
local terms energy: -50.874425
where:
bonds (distance) C4'-P energy: -10.556
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -6.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -206.760781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.760781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.760781 (E_RNA)
where:
Base-Base interactions energy: -131.836
where: short stacking energy: -59.808
Base-Backbone interact. energy: -0.123
local terms energy: -74.801753
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -17.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -198.997987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.997987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.997987 (E_RNA)
where:
Base-Base interactions energy: -119.654
where: short stacking energy: -65.153
Base-Backbone interact. energy: -0.009
local terms energy: -79.335147
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -21.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -171.360509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.360509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.360509 (E_RNA)
where:
Base-Base interactions energy: -95.359
where: short stacking energy: -57.247
Base-Backbone interact. energy: -0.025
local terms energy: -75.975876
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: -18.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -173.969812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.969812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.969812 (E_RNA)
where:
Base-Base interactions energy: -106.930
where: short stacking energy: -54.155
Base-Backbone interact. energy: 0.983
local terms energy: -68.023221
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -14.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -145.580603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.580603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.580603 (E_RNA)
where:
Base-Base interactions energy: -83.300
where: short stacking energy: -49.985
Base-Backbone interact. energy: -0.070
local terms energy: -62.211007
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -9.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -99.236473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.236473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.236473 (E_RNA)
where:
Base-Base interactions energy: -34.704
where: short stacking energy: -34.704
Base-Backbone interact. energy: -0.075
local terms energy: -64.457390
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -7.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -86.434334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.434334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.434334 (E_RNA)
where:
Base-Base interactions energy: -33.979
where: short stacking energy: -26.893
Base-Backbone interact. energy: -0.082
local terms energy: -52.373618
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -2.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -80.444675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.444675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.444675 (E_RNA)
where:
Base-Base interactions energy: -39.097
where: short stacking energy: -33.383
Base-Backbone interact. energy: -0.238
local terms energy: -41.109612
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -5.334
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -79.200758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.200758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.200758 (E_RNA)
where:
Base-Base interactions energy: -28.046
where: short stacking energy: -23.100
Base-Backbone interact. energy: -0.255
local terms energy: -50.899658
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -2.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -84.664276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.664276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.664276 (E_RNA)
where:
Base-Base interactions energy: -29.138
where: short stacking energy: -23.065
Base-Backbone interact. energy: -0.235
local terms energy: -55.291538
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -7.294
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -7.839
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: 1, replica: 4
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -201.566227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.566227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.566227 (E_RNA)
where:
Base-Base interactions energy: -131.672
where: short stacking energy: -72.637
Base-Backbone interact. energy: -0.171
local terms energy: -69.723131
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -20.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -213.057128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.057128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.057128 (E_RNA)
where:
Base-Base interactions energy: -136.282
where: short stacking energy: -68.260
Base-Backbone interact. energy: -0.165
local terms energy: -76.610384
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -18.011
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -22.901
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: 3, replica: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -178.115563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.115563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.115563 (E_RNA)
where:
Base-Base interactions energy: -109.294
where: short stacking energy: -57.661
Base-Backbone interact. energy: -0.088
local terms energy: -68.733235
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -16.102
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -14.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -156.737034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.737034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.737034 (E_RNA)
where:
Base-Base interactions energy: -94.117
where: short stacking energy: -47.995
Base-Backbone interact. energy: -0.008
local terms energy: -62.612606
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -13.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -110.851921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.851921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.851921 (E_RNA)
where:
Base-Base interactions energy: -55.023
where: short stacking energy: -40.130
Base-Backbone interact. energy: 2.862
local terms energy: -58.690795
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -8.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -131.166992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.166992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.166992 (E_RNA)
where:
Base-Base interactions energy: -72.838
where: short stacking energy: -40.147
Base-Backbone interact. energy: -0.116
local terms energy: -58.213069
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -4.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -89.840980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.840980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.840980 (E_RNA)
where:
Base-Base interactions energy: -32.736
where: short stacking energy: -32.736
Base-Backbone interact. energy: -0.483
local terms energy: -56.622105
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -7.094
tors. eta vs tors. theta energy: -7.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -92.434349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.434349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.434349 (E_RNA)
where:
Base-Base interactions energy: -43.165
where: short stacking energy: -32.155
Base-Backbone interact. energy: -0.250
local terms energy: -49.019416
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: -2.510
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: 7
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -79.011083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.011083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.011083 (E_RNA)
where:
Base-Base interactions energy: -31.609
where: short stacking energy: -31.329
Base-Backbone interact. energy: 0.101
local terms energy: -47.502359
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -6.458
tors. eta vs tors. theta energy: 0.497
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: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -71.772680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.772680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.772680 (E_RNA)
where:
Base-Base interactions energy: -29.805
where: short stacking energy: -19.507
Base-Backbone interact. energy: 1.475
local terms energy: -43.443092
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -4.207
tors. eta vs tors. theta energy: -0.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -203.493741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.493741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.493741 (E_RNA)
where:
Base-Base interactions energy: -126.183
where: short stacking energy: -66.520
Base-Backbone interact. energy: -0.012
local terms energy: -77.298980
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -16.959
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: 3
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -190.628935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.628935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.628935 (E_RNA)
where:
Base-Base interactions energy: -126.202
where: short stacking energy: -57.184
Base-Backbone interact. energy: 0.944
local terms energy: -65.370997
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -15.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -175.293322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.293322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.293322 (E_RNA)
where:
Base-Base interactions energy: -112.961
where: short stacking energy: -56.034
Base-Backbone interact. energy: -0.019
local terms energy: -62.313967
where:
bonds (distance) C4'-P energy: -11.190
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -17.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -141.093051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.093051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.093051 (E_RNA)
where:
Base-Base interactions energy: -80.745
where: short stacking energy: -46.221
Base-Backbone interact. energy: -0.765
local terms energy: -59.583477
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -10.125
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: 8
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -120.544489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.544489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.544489 (E_RNA)
where:
Base-Base interactions energy: -56.616
where: short stacking energy: -55.087
Base-Backbone interact. energy: -0.086
local terms energy: -63.842536
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -10.968
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -14.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -109.949876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.949876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.949876 (E_RNA)
where:
Base-Base interactions energy: -42.265
where: short stacking energy: -37.076
Base-Backbone interact. energy: -0.487
local terms energy: -67.197540
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -7.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -128.485598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.485598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.485598 (E_RNA)
where:
Base-Base interactions energy: -71.119
where: short stacking energy: -39.875
Base-Backbone interact. energy: -0.635
local terms energy: -56.732188
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -10.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -90.156133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.156133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.156133 (E_RNA)
where:
Base-Base interactions energy: -46.505
where: short stacking energy: -23.771
Base-Backbone interact. energy: -0.849
local terms energy: -42.802535
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -8.107
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -0.304
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: 9, replica: 6
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -77.407528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.407528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.407528 (E_RNA)
where:
Base-Base interactions energy: -26.992
where: short stacking energy: -24.713
Base-Backbone interact. energy: -1.401
local terms energy: -49.014726
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -6.922
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: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -83.323207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.323207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.323207 (E_RNA)
where:
Base-Base interactions energy: -28.564
where: short stacking energy: -19.148
Base-Backbone interact. energy: -0.088
local terms energy: -54.671160
where:
bonds (distance) C4'-P energy: -9.908
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -6.637
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: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -198.555527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.555527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.555527 (E_RNA)
where:
Base-Base interactions energy: -116.958
where: short stacking energy: -63.743
Base-Backbone interact. energy: -0.002
local terms energy: -81.595730
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -17.687
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -19.914
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: 4
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -201.954820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.954820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.954820 (E_RNA)
where:
Base-Base interactions energy: -129.354
where: short stacking energy: -69.586
Base-Backbone interact. energy: -0.001
local terms energy: -72.600076
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -21.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -178.793317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.793317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.793317 (E_RNA)
where:
Base-Base interactions energy: -100.551
where: short stacking energy: -62.336
Base-Backbone interact. energy: -0.414
local terms energy: -77.828212
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -18.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -142.470463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.470463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.470463 (E_RNA)
where:
Base-Base interactions energy: -83.768
where: short stacking energy: -39.823
Base-Backbone interact. energy: -0.109
local terms energy: -58.593525
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -8.637
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -13.692
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: 5
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -98.906179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.906179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.906179 (E_RNA)
where:
Base-Base interactions energy: -41.473
where: short stacking energy: -26.349
Base-Backbone interact. energy: -0.490
local terms energy: -56.943090
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -17.876
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -1.331
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: 8
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -90.379467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.379467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.379467 (E_RNA)
where:
Base-Base interactions energy: -40.875
where: short stacking energy: -40.875
Base-Backbone interact. energy: -0.283
local terms energy: -49.220579
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -10.264
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -3.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -131.296836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.296836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.296836 (E_RNA)
where:
Base-Base interactions energy: -69.230
where: short stacking energy: -40.229
Base-Backbone interact. energy: -0.045
local terms energy: -62.021452
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -10.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -87.094062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.094062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.094062 (E_RNA)
where:
Base-Base interactions energy: -40.609
where: short stacking energy: -40.609
Base-Backbone interact. energy: -0.029
local terms energy: -46.456339
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -8.010
flat angles P-C4'-P energy: -5.165
tors. eta vs tors. theta energy: -7.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -95.353015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.353015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.353015 (E_RNA)
where:
Base-Base interactions energy: -35.998
where: short stacking energy: -29.651
Base-Backbone interact. energy: -0.984
local terms energy: -58.370422
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -5.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -78.277392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.277392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.277392 (E_RNA)
where:
Base-Base interactions energy: -32.139
where: short stacking energy: -24.698
Base-Backbone interact. energy: -0.338
local terms energy: -45.800593
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -8.507
flat angles P-C4'-P energy: -11.818
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: 1, replica: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -195.739475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.739475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.739475 (E_RNA)
where:
Base-Base interactions energy: -120.449
where: short stacking energy: -70.767
Base-Backbone interact. energy: -0.054
local terms energy: -75.236601
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -16.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -203.962603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.962603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.962603 (E_RNA)
where:
Base-Base interactions energy: -122.238
where: short stacking energy: -71.015
Base-Backbone interact. energy: -0.003
local terms energy: -81.721492
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -23.319
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: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -183.439902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.439902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.439902 (E_RNA)
where:
Base-Base interactions energy: -103.867
where: short stacking energy: -60.547
Base-Backbone interact. energy: -0.038
local terms energy: -79.534704
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -20.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -159.295865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.295865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.295865 (E_RNA)
where:
Base-Base interactions energy: -90.879
where: short stacking energy: -42.563
Base-Backbone interact. energy: -0.133
local terms energy: -68.283268
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -12.873
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: 25
Temperature: 1.100000
Total energy: -95.118524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.118524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.118524 (E_RNA)
where:
Base-Base interactions energy: -31.045
where: short stacking energy: -29.654
Base-Backbone interact. energy: -0.286
local terms energy: -63.787047
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -8.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -165.535138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.535138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.535138 (E_RNA)
where:
Base-Base interactions energy: -104.645
where: short stacking energy: -54.560
Base-Backbone interact. energy: -0.073
local terms energy: -60.818010
where:
bonds (distance) C4'-P energy: -6.509
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -16.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -89.794132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.794132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.794132 (E_RNA)
where:
Base-Base interactions energy: -35.793
where: short stacking energy: -26.876
Base-Backbone interact. energy: -0.023
local terms energy: -53.978204
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -3.460
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: 10
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -87.397319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.397319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.397319 (E_RNA)
where:
Base-Base interactions energy: -31.424
where: short stacking energy: -31.424
Base-Backbone interact. energy: -0.063
local terms energy: -55.909891
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -7.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -80.301806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.301806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.301806 (E_RNA)
where:
Base-Base interactions energy: -28.703
where: short stacking energy: -28.500
Base-Backbone interact. energy: -0.200
local terms energy: -51.398308
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -7.697
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -2.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -93.481778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.481778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.481778 (E_RNA)
where:
Base-Base interactions energy: -41.573
where: short stacking energy: -41.573
Base-Backbone interact. energy: -0.176
local terms energy: -51.733052
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -11.575
flat angles C4'-P-C4' energy: -10.400
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -10.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -199.038487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.038487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.038487 (E_RNA)
where:
Base-Base interactions energy: -123.821
where: short stacking energy: -72.176
Base-Backbone interact. energy: -0.081
local terms energy: -75.137315
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -18.059
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: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -203.480934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.480934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.480934 (E_RNA)
where:
Base-Base interactions energy: -120.623
where: short stacking energy: -72.836
Base-Backbone interact. energy: -0.045
local terms energy: -82.812932
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -23.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -172.765180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.765180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.765180 (E_RNA)
where:
Base-Base interactions energy: -105.336
where: short stacking energy: -59.637
Base-Backbone interact. energy: -0.093
local terms energy: -67.335856
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -12.868
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: 26
Temperature: 1.050000
Total energy: -158.530073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.530073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.530073 (E_RNA)
where:
Base-Base interactions energy: -98.201
where: short stacking energy: -55.491
Base-Backbone interact. energy: -0.016
local terms energy: -60.312547
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -10.604
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -10.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -191.729459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.729459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.729459 (E_RNA)
where:
Base-Base interactions energy: -121.795
where: short stacking energy: -55.359
Base-Backbone interact. energy: -0.053
local terms energy: -69.881852
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -14.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -91.290025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.290025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.290025 (E_RNA)
where:
Base-Base interactions energy: -29.371
where: short stacking energy: -29.371
Base-Backbone interact. energy: -0.611
local terms energy: -61.307481
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -10.810
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: 26
Temperature: 1.200000
Total energy: -100.199225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.199225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.199225 (E_RNA)
where:
Base-Base interactions energy: -44.010
where: short stacking energy: -44.010
Base-Backbone interact. energy: -0.032
local terms energy: -56.156540
where:
bonds (distance) C4'-P energy: -9.943
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -10.309
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: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -77.266977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.266977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.266977 (E_RNA)
where:
Base-Base interactions energy: -26.456
where: short stacking energy: -23.320
Base-Backbone interact. energy: -0.837
local terms energy: -49.973865
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: 0.424
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: 6
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -73.460916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.460916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.460916 (E_RNA)
where:
Base-Base interactions energy: -13.581
where: short stacking energy: -12.611
Base-Backbone interact. energy: -0.009
local terms energy: -59.870860
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -3.213
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: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -96.755654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.755654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.755654 (E_RNA)
where:
Base-Base interactions energy: -54.383
where: short stacking energy: -24.610
Base-Backbone interact. energy: -0.225
local terms energy: -42.148584
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: 0.447
tors. eta vs tors. theta energy: -3.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -202.870553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.870553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.870553 (E_RNA)
where:
Base-Base interactions energy: -126.882
where: short stacking energy: -73.205
Base-Backbone interact. energy: -0.012
local terms energy: -75.976516
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -17.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -184.860562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.860562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.860562 (E_RNA)
where:
Base-Base interactions energy: -113.441
where: short stacking energy: -63.264
Base-Backbone interact. energy: -0.037
local terms energy: -71.381992
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -15.395
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: 3, replica: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -183.783786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.783786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.783786 (E_RNA)
where:
Base-Base interactions energy: -111.168
where: short stacking energy: -57.986
Base-Backbone interact. energy: -0.651
local terms energy: -71.965340
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -15.725
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: 9
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -165.770958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.770958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.770958 (E_RNA)
where:
Base-Base interactions energy: -98.047
where: short stacking energy: -59.784
Base-Backbone interact. energy: -0.043
local terms energy: -67.680562
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -12.763
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -14.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -180.143016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.143016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.143016 (E_RNA)
where:
Base-Base interactions energy: -103.794
where: short stacking energy: -57.574
Base-Backbone interact. energy: -0.006
local terms energy: -76.343890
where:
bonds (distance) C4'-P energy: -16.519
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -16.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -96.209986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.209986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.209986 (E_RNA)
where:
Base-Base interactions energy: -41.037
where: short stacking energy: -39.745
Base-Backbone interact. energy: 0.229
local terms energy: -55.401878
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -5.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -96.013244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.013244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.013244 (E_RNA)
where:
Base-Base interactions energy: -43.193
where: short stacking energy: -38.023
Base-Backbone interact. energy: -0.031
local terms energy: -52.789480
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -6.066
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: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -83.057605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.057605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.057605 (E_RNA)
where:
Base-Base interactions energy: -29.629
where: short stacking energy: -28.120
Base-Backbone interact. energy: 0.550
local terms energy: -53.978006
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -4.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -97.614937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.614937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.614937 (E_RNA)
where:
Base-Base interactions energy: -49.616
where: short stacking energy: -43.280
Base-Backbone interact. energy: -0.090
local terms energy: -47.909324
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -10.539
flat angles P-C4'-P energy: -4.366
tors. eta vs tors. theta energy: -6.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -79.784769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.784769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.784769 (E_RNA)
where:
Base-Base interactions energy: -22.447
where: short stacking energy: -22.447
Base-Backbone interact. energy: -0.152
local terms energy: -57.185927
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -0.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -183.938508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.938508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.938508 (E_RNA)
where:
Base-Base interactions energy: -116.732
where: short stacking energy: -57.167
Base-Backbone interact. energy: -0.004
local terms energy: -67.203017
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: -12.686
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: 3
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -192.954256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.954256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.954256 (E_RNA)
where:
Base-Base interactions energy: -124.699
where: short stacking energy: -64.118
Base-Backbone interact. energy: -0.019
local terms energy: -68.236081
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -18.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -160.387187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.387187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.387187 (E_RNA)
where:
Base-Base interactions energy: -94.317
where: short stacking energy: -59.297
Base-Backbone interact. energy: -0.121
local terms energy: -65.948271
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -10.814
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -14.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -174.798243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.798243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.798243 (E_RNA)
where:
Base-Base interactions energy: -117.705
where: short stacking energy: -63.241
Base-Backbone interact. energy: -0.890
local terms energy: -56.203382
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -8.346
flat angles C4'-P-C4' energy: -10.633
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -15.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -180.377390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.377390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.377390 (E_RNA)
where:
Base-Base interactions energy: -116.412
where: short stacking energy: -60.360
Base-Backbone interact. energy: -0.190
local terms energy: -63.776159
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -13.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -88.945913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.945913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.945913 (E_RNA)
where:
Base-Base interactions energy: -30.445
where: short stacking energy: -30.445
Base-Backbone interact. energy: -0.099
local terms energy: -58.401097
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -6.077
tors. eta vs tors. theta energy: -8.635
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: 5
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -86.321740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.321740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.321740 (E_RNA)
where:
Base-Base interactions energy: -38.568
where: short stacking energy: -31.396
Base-Backbone interact. energy: -0.128
local terms energy: -47.626306
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -0.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -98.286562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.286562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.286562 (E_RNA)
where:
Base-Base interactions energy: -32.692
where: short stacking energy: -32.692
Base-Backbone interact. energy: -0.147
local terms energy: -65.448099
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -18.380
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -9.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -81.233795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.233795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.233795 (E_RNA)
where:
Base-Base interactions energy: -25.936
where: short stacking energy: -25.936
Base-Backbone interact. energy: -0.096
local terms energy: -55.202472
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -9.893
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -4.933
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: 28
Temperature: 1.350000
Total energy: -77.105194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.105194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.105194 (E_RNA)
where:
Base-Base interactions energy: -29.004
where: short stacking energy: -19.757
Base-Backbone interact. energy: -0.182
local terms energy: -47.919815
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -0.055
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: 4
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -202.949427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.949427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.949427 (E_RNA)
where:
Base-Base interactions energy: -127.074
where: short stacking energy: -59.635
Base-Backbone interact. energy: -0.119
local terms energy: -75.756844
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -17.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -192.407564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.407564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.407564 (E_RNA)
where:
Base-Base interactions energy: -118.876
where: short stacking energy: -61.576
Base-Backbone interact. energy: -0.008
local terms energy: -73.523561
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -15.520
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: 9
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -167.316300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.316300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.316300 (E_RNA)
where:
Base-Base interactions energy: -99.547
where: short stacking energy: -58.687
Base-Backbone interact. energy: -0.453
local terms energy: -67.316659
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -13.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -183.913647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.913647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.913647 (E_RNA)
where:
Base-Base interactions energy: -109.085
where: short stacking energy: -61.478
Base-Backbone interact. energy: -0.077
local terms energy: -74.751336
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -17.467
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: 29
Temperature: 1.100000
Total energy: -172.036238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.036238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.036238 (E_RNA)
where:
Base-Base interactions energy: -102.298
where: short stacking energy: -57.164
Base-Backbone interact. energy: -0.126
local terms energy: -69.611448
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -15.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -96.490108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.490108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.490108 (E_RNA)
where:
Base-Base interactions energy: -38.354
where: short stacking energy: -37.815
Base-Backbone interact. energy: -0.085
local terms energy: -58.051181
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -8.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -100.546466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.546466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.546466 (E_RNA)
where:
Base-Base interactions energy: -33.836
where: short stacking energy: -29.643
Base-Backbone interact. energy: -0.009
local terms energy: -66.701795
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -6.730
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: 7
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -84.707954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.707954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.707954 (E_RNA)
where:
Base-Base interactions energy: -32.344
where: short stacking energy: -28.566
Base-Backbone interact. energy: -0.120
local terms energy: -52.244252
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -4.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -73.693215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.693215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.693215 (E_RNA)
where:
Base-Base interactions energy: -25.840
where: short stacking energy: -25.551
Base-Backbone interact. energy: 0.140
local terms energy: -47.993017
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -8.789
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -0.714
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: 29
Temperature: 1.350000
Total energy: -73.557756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.557756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.557756 (E_RNA)
where:
Base-Base interactions energy: -24.676
where: short stacking energy: -11.904
Base-Backbone interact. energy: -0.262
local terms energy: -48.619441
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -10.655
flat angles P-C4'-P energy: -9.355
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: 1, replica: 4
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -201.033590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.033590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.033590 (E_RNA)
where:
Base-Base interactions energy: -125.525
where: short stacking energy: -61.506
Base-Backbone interact. energy: -0.002
local terms energy: -75.506073
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: -18.096
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: 2, replica: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -175.765169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.765169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.765169 (E_RNA)
where:
Base-Base interactions energy: -107.453
where: short stacking energy: -64.301
Base-Backbone interact. energy: -1.143
local terms energy: -67.169180
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -10.985
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -16.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -163.944264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.944264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.944264 (E_RNA)
where:
Base-Base interactions energy: -96.407
where: short stacking energy: -54.437
Base-Backbone interact. energy: -0.022
local terms energy: -67.515219
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -5.896
tors. eta vs tors. theta energy: -12.640
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: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -164.630078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.630078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.630078 (E_RNA)
where:
Base-Base interactions energy: -102.512
where: short stacking energy: -47.841
Base-Backbone interact. energy: -0.682
local terms energy: -61.436224
where:
bonds (distance) C4'-P energy: -9.115
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -14.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -164.375429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.375429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.375429 (E_RNA)
where:
Base-Base interactions energy: -99.920
where: short stacking energy: -52.817
Base-Backbone interact. energy: -0.189
local terms energy: -64.266825
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -10.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -94.168775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.168775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.168775 (E_RNA)
where:
Base-Base interactions energy: -32.088
where: short stacking energy: -27.896
Base-Backbone interact. energy: 1.752
local terms energy: -63.832673
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -8.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -88.300714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.300714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.300714 (E_RNA)
where:
Base-Base interactions energy: -38.350
where: short stacking energy: -28.382
Base-Backbone interact. energy: 0.750
local terms energy: -50.699848
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -4.473
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: 8, replica: 5
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -81.881492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.881492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.881492 (E_RNA)
where:
Base-Base interactions energy: -33.661
where: short stacking energy: -33.193
Base-Backbone interact. energy: -0.017
local terms energy: -48.203017
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -6.880
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -5.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -85.685342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.685342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.685342 (E_RNA)
where:
Base-Base interactions energy: -26.081
where: short stacking energy: -22.990
Base-Backbone interact. energy: -0.216
local terms energy: -59.388228
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -19.138
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -3.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -79.385246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.385246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.385246 (E_RNA)
where:
Base-Base interactions energy: -41.135
where: short stacking energy: -31.432
Base-Backbone interact. energy: -0.422
local terms energy: -37.827938
where:
bonds (distance) C4'-P energy: -7.601
bonds (distance) P-C4' energy: -11.634
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -1.841
tors. eta vs tors. theta energy: -3.874
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: 4
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -199.587765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.587765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.587765 (E_RNA)
where:
Base-Base interactions energy: -126.696
where: short stacking energy: -69.548
Base-Backbone interact. energy: -0.019
local terms energy: -72.873246
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -20.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -168.171238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.171238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.171238 (E_RNA)
where:
Base-Base interactions energy: -99.468
where: short stacking energy: -60.051
Base-Backbone interact. energy: -0.076
local terms energy: -68.627086
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -11.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -177.036407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.036407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.036407 (E_RNA)
where:
Base-Base interactions energy: -104.679
where: short stacking energy: -61.164
Base-Backbone interact. energy: -0.026
local terms energy: -72.331401
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -14.506
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -15.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -175.085673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.085673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.085673 (E_RNA)
where:
Base-Base interactions energy: -103.367
where: short stacking energy: -53.555
Base-Backbone interact. energy: -0.012
local terms energy: -71.705725
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -10.967
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -17.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -175.287054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.287054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.287054 (E_RNA)
where:
Base-Base interactions energy: -108.643
where: short stacking energy: -51.354
Base-Backbone interact. energy: -0.043
local terms energy: -66.601362
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -13.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -92.624324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.624324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.624324 (E_RNA)
where:
Base-Base interactions energy: -37.440
where: short stacking energy: -37.440
Base-Backbone interact. energy: -0.113
local terms energy: -55.071654
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -10.643
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -6.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -81.694217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.694217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.694217 (E_RNA)
where:
Base-Base interactions energy: -39.015
where: short stacking energy: -23.133
Base-Backbone interact. energy: -0.094
local terms energy: -42.585760
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -6.001
tors. eta vs tors. theta energy: 0.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -91.157941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.157941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.157941 (E_RNA)
where:
Base-Base interactions energy: -37.508
where: short stacking energy: -37.436
Base-Backbone interact. energy: -0.109
local terms energy: -53.540685
where:
bonds (distance) C4'-P energy: -9.223
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -2.811
tors. eta vs tors. theta energy: -10.063
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: 5
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -77.776981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.776981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.776981 (E_RNA)
where:
Base-Base interactions energy: -23.497
where: short stacking energy: -23.497
Base-Backbone interact. energy: -0.410
local terms energy: -53.869496
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -9.190
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -1.368
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: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -76.253305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.253305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.253305 (E_RNA)
where:
Base-Base interactions energy: -24.186
where: short stacking energy: -24.186
Base-Backbone interact. energy: -0.343
local terms energy: -51.723873
where:
bonds (distance) C4'-P energy: -8.243
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -1.763
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: 4
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -195.013666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.013666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.013666 (E_RNA)
where:
Base-Base interactions energy: -122.274
where: short stacking energy: -68.653
Base-Backbone interact. energy: -0.029
local terms energy: -72.710625
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -19.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -166.340797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.340797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.340797 (E_RNA)
where:
Base-Base interactions energy: -90.920
where: short stacking energy: -51.456
Base-Backbone interact. energy: -0.304
local terms energy: -75.116963
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -15.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -183.491939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.491939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.491939 (E_RNA)
where:
Base-Base interactions energy: -120.249
where: short stacking energy: -58.081
Base-Backbone interact. energy: -1.068
local terms energy: -62.175158
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -16.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -164.470242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.470242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.470242 (E_RNA)
where:
Base-Base interactions energy: -104.083
where: short stacking energy: -44.431
Base-Backbone interact. energy: -0.044
local terms energy: -60.343477
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -5.708
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: 5, replica: 1
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -149.828767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.828767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.828767 (E_RNA)
where:
Base-Base interactions energy: -81.318
where: short stacking energy: -45.922
Base-Backbone interact. energy: -0.270
local terms energy: -68.240604
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -11.574
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -15.134
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: 6, replica: 7
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -97.492530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.492530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.492530 (E_RNA)
where:
Base-Base interactions energy: -48.508
where: short stacking energy: -48.508
Base-Backbone interact. energy: -0.184
local terms energy: -48.800697
where:
bonds (distance) C4'-P energy: -11.587
bonds (distance) P-C4' energy: -11.250
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -4.867
tors. eta vs tors. theta energy: -9.317
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: 6
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -88.704387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.704387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.704387 (E_RNA)
where:
Base-Base interactions energy: -36.381
where: short stacking energy: -36.381
Base-Backbone interact. energy: -0.239
local terms energy: -52.083927
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -8.720
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -4.759
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: 32
Temperature: 1.250000
Total energy: -83.181062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.181062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.181062 (E_RNA)
where:
Base-Base interactions energy: -31.769
where: short stacking energy: -31.769
Base-Backbone interact. energy: -0.060
local terms energy: -51.352330
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -7.770
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -4.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -75.278826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.278826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.278826 (E_RNA)
where:
Base-Base interactions energy: -25.286
where: short stacking energy: -14.661
Base-Backbone interact. energy: 0.557
local terms energy: -50.549398
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -6.071
tors. eta vs tors. theta energy: 1.897
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: 5
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -73.840799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.840799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.840799 (E_RNA)
where:
Base-Base interactions energy: -29.143
where: short stacking energy: -21.137
Base-Backbone interact. energy: -0.767
local terms energy: -43.930669
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -3.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -196.837588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.837588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.837588 (E_RNA)
where:
Base-Base interactions energy: -124.439
where: short stacking energy: -67.993
Base-Backbone interact. energy: -0.177
local terms energy: -72.221388
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -18.164
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: 3
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -192.582416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.582416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.582416 (E_RNA)
where:
Base-Base interactions energy: -128.255
where: short stacking energy: -70.642
Base-Backbone interact. energy: -0.047
local terms energy: -64.280031
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -8.816
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -19.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -169.768300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.768300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.768300 (E_RNA)
where:
Base-Base interactions energy: -106.504
where: short stacking energy: -41.165
Base-Backbone interact. energy: -0.352
local terms energy: -62.912083
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -10.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -163.256052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.256052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.256052 (E_RNA)
where:
Base-Base interactions energy: -104.064
where: short stacking energy: -58.492
Base-Backbone interact. energy: 0.352
local terms energy: -59.544194
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -11.797
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -11.800
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: 33
Temperature: 1.100000
Total energy: -155.154760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.154760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.154760 (E_RNA)
where:
Base-Base interactions energy: -89.685
where: short stacking energy: -53.252
Base-Backbone interact. energy: -0.297
local terms energy: -65.172953
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -5.099
tors. eta vs tors. theta energy: -19.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -98.508712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.508712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.508712 (E_RNA)
where:
Base-Base interactions energy: -35.400
where: short stacking energy: -35.400
Base-Backbone interact. energy: -0.040
local terms energy: -63.068633
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -13.344
flat angles C4'-P-C4' energy: -19.012
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -7.832
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: 7, replica: 7
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -88.722076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.722076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.722076 (E_RNA)
where:
Base-Base interactions energy: -34.493
where: short stacking energy: -34.493
Base-Backbone interact. energy: -0.120
local terms energy: -54.108770
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -8.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -88.227652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.227652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.227652 (E_RNA)
where:
Base-Base interactions energy: -34.034
where: short stacking energy: -34.034
Base-Backbone interact. energy: 0.685
local terms energy: -54.878319
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -8.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -78.697985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.697985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.697985 (E_RNA)
where:
Base-Base interactions energy: -34.447
where: short stacking energy: -25.691
Base-Backbone interact. energy: -0.167
local terms energy: -44.084608
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -9.262
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -0.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -71.391413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.391413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.391413 (E_RNA)
where:
Base-Base interactions energy: -20.527
where: short stacking energy: -18.991
Base-Backbone interact. energy: -0.123
local terms energy: -50.741161
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -17.609
flat angles C4'-P-C4' energy: -8.471
flat angles P-C4'-P energy: -9.540
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: 1, replica: 3
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -200.857340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.857340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.857340 (E_RNA)
where:
Base-Base interactions energy: -121.196
where: short stacking energy: -61.587
Base-Backbone interact. energy: -0.000
local terms energy: -79.660850
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -22.981
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: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -194.361647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.361647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.361647 (E_RNA)
where:
Base-Base interactions energy: -118.251
where: short stacking energy: -60.485
Base-Backbone interact. energy: -0.098
local terms energy: -76.012606
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -23.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -183.426114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.426114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.426114 (E_RNA)
where:
Base-Base interactions energy: -120.777
where: short stacking energy: -52.792
Base-Backbone interact. energy: -0.907
local terms energy: -61.741738
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -12.039
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -11.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -170.285082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.285082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.285082 (E_RNA)
where:
Base-Base interactions energy: -104.253
where: short stacking energy: -54.736
Base-Backbone interact. energy: 0.100
local terms energy: -66.132015
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -13.195
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: 5, replica: 1
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -152.594498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.594498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.594498 (E_RNA)
where:
Base-Base interactions energy: -88.953
where: short stacking energy: -48.373
Base-Backbone interact. energy: -0.199
local terms energy: -63.442576
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -10.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -94.071200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.071200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.071200 (E_RNA)
where:
Base-Base interactions energy: -39.873
where: short stacking energy: -39.873
Base-Backbone interact. energy: -0.101
local terms energy: -54.097390
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -6.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -85.918204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.918204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.918204 (E_RNA)
where:
Base-Base interactions energy: -35.594
where: short stacking energy: -27.446
Base-Backbone interact. energy: -0.111
local terms energy: -50.213447
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -4.096
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: 8, replica: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -92.394074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.394074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.394074 (E_RNA)
where:
Base-Base interactions energy: -36.001
where: short stacking energy: -36.001
Base-Backbone interact. energy: -0.186
local terms energy: -56.207500
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -6.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -97.075792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.075792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.075792 (E_RNA)
where:
Base-Base interactions energy: -44.707
where: short stacking energy: -23.534
Base-Backbone interact. energy: -0.085
local terms energy: -52.283568
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -3.710
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: 34
Temperature: 1.350000
Total energy: -70.379217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.379217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.379217 (E_RNA)
where:
Base-Base interactions energy: -28.900
where: short stacking energy: -28.900
Base-Backbone interact. energy: -0.111
local terms energy: -41.368128
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -11.440
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: 0.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -201.402980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.402980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.402980 (E_RNA)
where:
Base-Base interactions energy: -124.158
where: short stacking energy: -66.051
Base-Backbone interact. energy: -0.400
local terms energy: -76.844681
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -18.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -199.192844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.192844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.192844 (E_RNA)
where:
Base-Base interactions energy: -128.111
where: short stacking energy: -63.252
Base-Backbone interact. energy: -0.125
local terms energy: -70.956361
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -17.929
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: 9
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -185.792144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.792144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.792144 (E_RNA)
where:
Base-Base interactions energy: -117.963
where: short stacking energy: -58.384
Base-Backbone interact. energy: -1.862
local terms energy: -65.967013
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -16.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -137.021065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.021065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.021065 (E_RNA)
where:
Base-Base interactions energy: -77.262
where: short stacking energy: -46.066
Base-Backbone interact. energy: -0.152
local terms energy: -59.607542
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -9.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -133.855342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.855342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.855342 (E_RNA)
where:
Base-Base interactions energy: -80.215
where: short stacking energy: -46.113
Base-Backbone interact. energy: 1.714
local terms energy: -55.354233
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: -8.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -96.403206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.403206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.403206 (E_RNA)
where:
Base-Base interactions energy: -48.278
where: short stacking energy: -23.848
Base-Backbone interact. energy: 0.315
local terms energy: -48.440064
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: 2.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -84.151452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.151452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.151452 (E_RNA)
where:
Base-Base interactions energy: -41.398
where: short stacking energy: -30.499
Base-Backbone interact. energy: -0.160
local terms energy: -42.593464
where:
bonds (distance) C4'-P energy: -10.289
bonds (distance) P-C4' energy: -11.729
flat angles C4'-P-C4' energy: -9.503
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -4.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -92.478447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.478447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.478447 (E_RNA)
where:
Base-Base interactions energy: -39.788
where: short stacking energy: -22.610
Base-Backbone interact. energy: -0.160
local terms energy: -52.531362
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -10.555
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -5.820
tors. eta vs tors. theta energy: -4.855
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: 7
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -78.781455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.781455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.781455 (E_RNA)
where:
Base-Base interactions energy: -32.602
where: short stacking energy: -32.602
Base-Backbone interact. energy: 0.027
local terms energy: -46.206476
where:
bonds (distance) C4'-P energy: -9.140
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -5.525
tors. eta vs tors. theta energy: -1.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -74.960052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.960052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.960052 (E_RNA)
where:
Base-Base interactions energy: -23.293
where: short stacking energy: -23.293
Base-Backbone interact. energy: -0.231
local terms energy: -51.436690
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -5.520
tors. eta vs tors. theta energy: -8.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -206.154287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.154287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.154287 (E_RNA)
where:
Base-Base interactions energy: -125.223
where: short stacking energy: -67.508
Base-Backbone interact. energy: -0.098
local terms energy: -80.833598
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -20.306
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: 2, replica: 3
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -195.395819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.395819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.395819 (E_RNA)
where:
Base-Base interactions energy: -117.199
where: short stacking energy: -60.916
Base-Backbone interact. energy: -0.054
local terms energy: -78.143577
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -13.587
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: 3, replica: 9
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -186.592818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.592818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.592818 (E_RNA)
where:
Base-Base interactions energy: -114.721
where: short stacking energy: -60.534
Base-Backbone interact. energy: -0.637
local terms energy: -71.234941
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -17.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -150.046964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.046964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.046964 (E_RNA)
where:
Base-Base interactions energy: -91.914
where: short stacking energy: -48.174
Base-Backbone interact. energy: -0.063
local terms energy: -58.069438
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -5.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -134.981798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.981798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.981798 (E_RNA)
where:
Base-Base interactions energy: -77.415
where: short stacking energy: -39.034
Base-Backbone interact. energy: 0.827
local terms energy: -58.393581
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: -5.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -91.018057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.018057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.018057 (E_RNA)
where:
Base-Base interactions energy: -36.243
where: short stacking energy: -25.590
Base-Backbone interact. energy: -0.342
local terms energy: -54.433031
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -5.793
tors. eta vs tors. theta energy: -1.321
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: 5
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -89.341751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.341751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.341751 (E_RNA)
where:
Base-Base interactions energy: -39.282
where: short stacking energy: -39.282
Base-Backbone interact. energy: -0.081
local terms energy: -49.979308
where:
bonds (distance) C4'-P energy: -3.119
bonds (distance) P-C4' energy: -11.593
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -5.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -79.300370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.300370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.300370 (E_RNA)
where:
Base-Base interactions energy: -32.129
where: short stacking energy: -30.956
Base-Backbone interact. energy: -0.201
local terms energy: -46.970671
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -1.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -80.091935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.091935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.091935 (E_RNA)
where:
Base-Base interactions energy: -27.895
where: short stacking energy: -20.870
Base-Backbone interact. energy: 0.596
local terms energy: -52.792706
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -6.019
tors. eta vs tors. theta energy: -0.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -75.507302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.507302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.507302 (E_RNA)
where:
Base-Base interactions energy: -30.128
where: short stacking energy: -30.128
Base-Backbone interact. energy: -0.209
local terms energy: -45.170274
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: 1.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -198.904978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.904978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.904978 (E_RNA)
where:
Base-Base interactions energy: -120.419
where: short stacking energy: -68.029
Base-Backbone interact. energy: -0.004
local terms energy: -78.481885
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -18.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -183.895298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.895298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.895298 (E_RNA)
where:
Base-Base interactions energy: -112.388
where: short stacking energy: -56.684
Base-Backbone interact. energy: -0.253
local terms energy: -71.255022
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -15.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -184.742328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.742328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.742328 (E_RNA)
where:
Base-Base interactions energy: -120.772
where: short stacking energy: -60.716
Base-Backbone interact. energy: -0.144
local terms energy: -63.825431
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -9.714
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -15.924
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: 2
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -176.771200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.771200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.771200 (E_RNA)
where:
Base-Base interactions energy: -105.795
where: short stacking energy: -61.262
Base-Backbone interact. energy: -0.011
local terms energy: -70.964708
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -17.372
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: 5, replica: 1
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -141.699607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.699607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.699607 (E_RNA)
where:
Base-Base interactions energy: -75.319
where: short stacking energy: -44.302
Base-Backbone interact. energy: -0.090
local terms energy: -66.290474
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -10.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -82.773043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.773043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.773043 (E_RNA)
where:
Base-Base interactions energy: -31.379
where: short stacking energy: -29.570
Base-Backbone interact. energy: -0.101
local terms energy: -51.293437
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -13.576
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -3.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -84.550919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.550919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.550919 (E_RNA)
where:
Base-Base interactions energy: -37.765
where: short stacking energy: -27.251
Base-Backbone interact. energy: -0.479
local terms energy: -46.307520
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -4.455
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: 10
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -90.330329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.330329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.330329 (E_RNA)
where:
Base-Base interactions energy: -34.580
where: short stacking energy: -32.022
Base-Backbone interact. energy: -0.094
local terms energy: -55.656160
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -2.868
tors. eta vs tors. theta energy: -8.851
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: 37
Temperature: 1.300000
Total energy: -79.761644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.761644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.761644 (E_RNA)
where:
Base-Base interactions energy: -23.197
where: short stacking energy: -12.006
Base-Backbone interact. energy: -0.341
local terms energy: -56.223112
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -0.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -66.992298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.992298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.992298 (E_RNA)
where:
Base-Base interactions energy: -24.731
where: short stacking energy: -23.658
Base-Backbone interact. energy: -0.039
local terms energy: -42.222368
where:
bonds (distance) C4'-P energy: -10.669
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -0.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -198.062440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.062440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.062440 (E_RNA)
where:
Base-Base interactions energy: -127.074
where: short stacking energy: -56.607
Base-Backbone interact. energy: -0.211
local terms energy: -70.777856
where:
bonds (distance) C4'-P energy: -16.784
bonds (distance) P-C4' energy: -11.234
flat angles C4'-P-C4' energy: -18.705
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -11.337
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: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -211.797749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.797749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.797749 (E_RNA)
where:
Base-Base interactions energy: -135.245
where: short stacking energy: -68.175
Base-Backbone interact. energy: -0.341
local terms energy: -76.211147
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -14.712
tors. eta vs tors. theta energy: -16.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -175.716336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.716336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.716336 (E_RNA)
where:
Base-Base interactions energy: -111.142
where: short stacking energy: -52.014
Base-Backbone interact. energy: -0.030
local terms energy: -64.544974
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -10.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -176.400350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.400350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.400350 (E_RNA)
where:
Base-Base interactions energy: -109.606
where: short stacking energy: -63.833
Base-Backbone interact. energy: -0.002
local terms energy: -66.792265
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -10.786
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -17.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -148.156710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.156710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.156710 (E_RNA)
where:
Base-Base interactions energy: -95.767
where: short stacking energy: -50.190
Base-Backbone interact. energy: -0.655
local terms energy: -51.735480
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -4.637
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -10.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -86.730623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.730623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.730623 (E_RNA)
where:
Base-Base interactions energy: -27.873
where: short stacking energy: -27.873
Base-Backbone interact. energy: -0.340
local terms energy: -58.517787
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -17.665
flat angles C4'-P-C4' energy: -9.866
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -3.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -124.761175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.761175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.761175 (E_RNA)
where:
Base-Base interactions energy: -70.341
where: short stacking energy: -36.728
Base-Backbone interact. energy: 0.324
local terms energy: -54.744635
where:
bonds (distance) C4'-P energy: -7.674
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -7.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -87.101498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.101498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.101498 (E_RNA)
where:
Base-Base interactions energy: -33.023
where: short stacking energy: -25.814
Base-Backbone interact. energy: -0.437
local terms energy: -53.641724
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -9.298
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -4.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -84.178580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.178580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.178580 (E_RNA)
where:
Base-Base interactions energy: -35.425
where: short stacking energy: -28.807
Base-Backbone interact. energy: -0.020
local terms energy: -48.733870
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -10.760
flat angles P-C4'-P energy: -6.029
tors. eta vs tors. theta energy: -4.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -81.866107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.866107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.866107 (E_RNA)
where:
Base-Base interactions energy: -42.077
where: short stacking energy: -36.251
Base-Backbone interact. energy: -0.168
local terms energy: -39.620796
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -9.403
flat angles C4'-P-C4' energy: -8.496
flat angles P-C4'-P energy: -5.106
tors. eta vs tors. theta energy: -6.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -212.192747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.192747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.192747 (E_RNA)
where:
Base-Base interactions energy: -141.859
where: short stacking energy: -64.097
Base-Backbone interact. energy: -0.115
local terms energy: -70.218865
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -206.884436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.884436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.884436 (E_RNA)
where:
Base-Base interactions energy: -131.602
where: short stacking energy: -60.775
Base-Backbone interact. energy: -0.263
local terms energy: -75.019454
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -18.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -178.623134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.623134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.623134 (E_RNA)
where:
Base-Base interactions energy: -108.638
where: short stacking energy: -55.641
Base-Backbone interact. energy: -0.063
local terms energy: -69.922753
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -15.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -171.624286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.624286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.624286 (E_RNA)
where:
Base-Base interactions energy: -100.125
where: short stacking energy: -58.809
Base-Backbone interact. energy: 0.258
local terms energy: -71.757823
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -14.169
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: 39
Temperature: 1.100000
Total energy: -173.696651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.696651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.696651 (E_RNA)
where:
Base-Base interactions energy: -103.938
where: short stacking energy: -47.458
Base-Backbone interact. energy: -0.061
local terms energy: -69.697451
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -12.076
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: 6, replica: 8
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -132.729119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.729119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.729119 (E_RNA)
where:
Base-Base interactions energy: -79.904
where: short stacking energy: -45.345
Base-Backbone interact. energy: 5.312
local terms energy: -58.136690
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -6.098
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: 7, replica: 5
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -90.015666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.015666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.015666 (E_RNA)
where:
Base-Base interactions energy: -39.393
where: short stacking energy: -28.603
Base-Backbone interact. energy: -0.028
local terms energy: -50.593941
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -5.606
tors. eta vs tors. theta energy: -5.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -90.016036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.016036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.016036 (E_RNA)
where:
Base-Base interactions energy: -47.272
where: short stacking energy: -37.465
Base-Backbone interact. energy: -0.145
local terms energy: -42.599299
where:
bonds (distance) C4'-P energy: -8.316
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -6.951
flat angles P-C4'-P energy: -5.443
tors. eta vs tors. theta energy: -5.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -86.488808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.488808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.488808 (E_RNA)
where:
Base-Base interactions energy: -36.994
where: short stacking energy: -36.994
Base-Backbone interact. energy: -0.107
local terms energy: -49.388262
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -9.062
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -4.202
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: 6
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -79.199802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.199802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.199802 (E_RNA)
where:
Base-Base interactions energy: -27.819
where: short stacking energy: -20.084
Base-Backbone interact. energy: -0.264
local terms energy: -51.116354
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -10.230
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -3.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -205.484623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.484623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.484623 (E_RNA)
where:
Base-Base interactions energy: -132.095
where: short stacking energy: -62.841
Base-Backbone interact. energy: -0.047
local terms energy: -73.342988
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -15.578
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: 9
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -206.278819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.278819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.278819 (E_RNA)
where:
Base-Base interactions energy: -132.732
where: short stacking energy: -62.409
Base-Backbone interact. energy: -0.202
local terms energy: -73.344817
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -13.848
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: 3
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -187.496161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.496161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.496161 (E_RNA)
where:
Base-Base interactions energy: -114.325
where: short stacking energy: -59.672
Base-Backbone interact. energy: -0.373
local terms energy: -72.798361
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -18.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -165.393840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.393840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.393840 (E_RNA)
where:
Base-Base interactions energy: -99.146
where: short stacking energy: -54.189
Base-Backbone interact. energy: -0.006
local terms energy: -66.241440
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -14.559
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: 1
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -174.059581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.059581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.059581 (E_RNA)
where:
Base-Base interactions energy: -107.793
where: short stacking energy: -53.631
Base-Backbone interact. energy: -0.284
local terms energy: -65.982895
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -16.115
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -13.424
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: 8
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -127.396232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.396232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.396232 (E_RNA)
where:
Base-Base interactions energy: -61.004
where: short stacking energy: -33.058
Base-Backbone interact. energy: -0.037
local terms energy: -66.355947
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -10.305
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: 7, replica: 7
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -84.382876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.382876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.382876 (E_RNA)
where:
Base-Base interactions energy: -29.069
where: short stacking energy: -28.108
Base-Backbone interact. energy: -0.512
local terms energy: -54.802139
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -8.970
flat angles P-C4'-P energy: -9.877
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: 8, replica: 5
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -119.699439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.699439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.699439 (E_RNA)
where:
Base-Base interactions energy: -58.439
where: short stacking energy: -33.390
Base-Backbone interact. energy: -0.322
local terms energy: -60.937852
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -10.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -71.164798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.164798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.164798 (E_RNA)
where:
Base-Base interactions energy: -20.610
where: short stacking energy: -20.610
Base-Backbone interact. energy: -0.215
local terms energy: -50.340056
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -6.313
tors. eta vs tors. theta energy: 3.300
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: 40
Temperature: 1.350000
Total energy: -80.011383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.011383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.011383 (E_RNA)
where:
Base-Base interactions energy: -30.873
where: short stacking energy: -28.841
Base-Backbone interact. energy: 2.287
local terms energy: -51.425547
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: 3.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -204.504184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.504184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.504184 (E_RNA)
where:
Base-Base interactions energy: -136.085
where: short stacking energy: -62.155
Base-Backbone interact. energy: -0.825
local terms energy: -67.594587
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -17.743
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: 9
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -200.050367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.050367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.050367 (E_RNA)
where:
Base-Base interactions energy: -128.957
where: short stacking energy: -62.617
Base-Backbone interact. energy: -0.241
local terms energy: -70.852632
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -16.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -191.059088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.059088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.059088 (E_RNA)
where:
Base-Base interactions energy: -119.314
where: short stacking energy: -61.898
Base-Backbone interact. energy: -0.686
local terms energy: -71.059126
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -17.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -189.535159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.535159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.535159 (E_RNA)
where:
Base-Base interactions energy: -120.449
where: short stacking energy: -59.249
Base-Backbone interact. energy: -0.343
local terms energy: -68.743384
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -18.596
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: 2
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -139.740111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.740111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.740111 (E_RNA)
where:
Base-Base interactions energy: -79.523
where: short stacking energy: -44.563
Base-Backbone interact. energy: -0.214
local terms energy: -60.003397
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -12.431
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -13.607
tors. eta vs tors. theta energy: -6.702
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: 8
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -133.154979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.154979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.154979 (E_RNA)
where:
Base-Base interactions energy: -72.756
where: short stacking energy: -44.845
Base-Backbone interact. energy: -0.011
local terms energy: -60.387736
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -9.782
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: 41
Temperature: 1.200000
Total energy: -94.545190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.545190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.545190 (E_RNA)
where:
Base-Base interactions energy: -42.489
where: short stacking energy: -34.892
Base-Backbone interact. energy: 0.202
local terms energy: -52.258462
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -10.511
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -9.580
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: 5
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -99.264623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.264623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.264623 (E_RNA)
where:
Base-Base interactions energy: -39.504
where: short stacking energy: -32.727
Base-Backbone interact. energy: -1.046
local terms energy: -58.715520
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -10.753
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -8.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -78.183498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.183498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.183498 (E_RNA)
where:
Base-Base interactions energy: -33.104
where: short stacking energy: -20.393
Base-Backbone interact. energy: -0.220
local terms energy: -44.859546
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -11.499
flat angles C4'-P-C4' energy: -10.980
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: 2.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -82.638290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.638290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.638290 (E_RNA)
where:
Base-Base interactions energy: -28.435
where: short stacking energy: -28.254
Base-Backbone interact. energy: -0.058
local terms energy: -54.144923
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -7.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -187.958640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.958640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.958640 (E_RNA)
where:
Base-Base interactions energy: -116.111
where: short stacking energy: -63.514
Base-Backbone interact. energy: -0.095
local terms energy: -71.752910
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -8.216
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -19.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -207.399494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.399494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.399494 (E_RNA)
where:
Base-Base interactions energy: -137.049
where: short stacking energy: -60.736
Base-Backbone interact. energy: 0.833
local terms energy: -71.184126
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -12.716
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: 3, replica: 1
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -172.216187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.216187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.216187 (E_RNA)
where:
Base-Base interactions energy: -100.381
where: short stacking energy: -52.646
Base-Backbone interact. energy: -0.610
local terms energy: -71.225472
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -13.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -184.014955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.014955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.014955 (E_RNA)
where:
Base-Base interactions energy: -116.731
where: short stacking energy: -55.373
Base-Backbone interact. energy: -0.164
local terms energy: -67.120055
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -10.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -145.550993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.550993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.550993 (E_RNA)
where:
Base-Base interactions energy: -97.823
where: short stacking energy: -44.013
Base-Backbone interact. energy: -0.152
local terms energy: -47.576424
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -11.130
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -0.243
tors. eta vs tors. theta energy: -7.396
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: 42
Temperature: 1.150000
Total energy: -133.727188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.727188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.727188 (E_RNA)
where:
Base-Base interactions energy: -72.484
where: short stacking energy: -33.632
Base-Backbone interact. energy: -0.876
local terms energy: -60.366831
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -10.579
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -10.324
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: 42
Temperature: 1.200000
Total energy: -91.235690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.235690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.235690 (E_RNA)
where:
Base-Base interactions energy: -36.197
where: short stacking energy: -24.245
Base-Backbone interact. energy: -0.961
local terms energy: -54.077604
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: 0.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -81.340962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.340962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.340962 (E_RNA)
where:
Base-Base interactions energy: -35.019
where: short stacking energy: -35.019
Base-Backbone interact. energy: -0.102
local terms energy: -46.219568
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -2.019
tors. eta vs tors. theta energy: -7.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -86.262804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.262804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.262804 (E_RNA)
where:
Base-Base interactions energy: -34.770
where: short stacking energy: -30.668
Base-Backbone interact. energy: -0.056
local terms energy: -51.437062
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -11.629
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -4.856
tors. eta vs tors. theta energy: -6.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -78.863533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.863533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.863533 (E_RNA)
where:
Base-Base interactions energy: -23.884
where: short stacking energy: -23.884
Base-Backbone interact. energy: 0.297
local terms energy: -55.275715
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -11.446
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -2.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -195.811425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.811425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.811425 (E_RNA)
where:
Base-Base interactions energy: -123.540
where: short stacking energy: -70.933
Base-Backbone interact. energy: -0.739
local terms energy: -71.532495
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -19.372
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: 1
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -190.940980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.940980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.940980 (E_RNA)
where:
Base-Base interactions energy: -126.006
where: short stacking energy: -64.307
Base-Backbone interact. energy: -0.115
local terms energy: -64.819299
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -15.945
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: 3, replica: 4
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -193.281764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.281764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.281764 (E_RNA)
where:
Base-Base interactions energy: -129.303
where: short stacking energy: -56.136
Base-Backbone interact. energy: -0.143
local terms energy: -63.835064
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -10.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -169.614941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.614941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.614941 (E_RNA)
where:
Base-Base interactions energy: -103.851
where: short stacking energy: -50.452
Base-Backbone interact. energy: -0.062
local terms energy: -65.702153
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -11.836
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: 5, replica: 3
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -155.269008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.269008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.269008 (E_RNA)
where:
Base-Base interactions energy: -96.049
where: short stacking energy: -47.107
Base-Backbone interact. energy: -0.120
local terms energy: -59.099970
where:
bonds (distance) C4'-P energy: -9.491
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -11.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -129.304199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.304199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.304199 (E_RNA)
where:
Base-Base interactions energy: -81.319
where: short stacking energy: -36.560
Base-Backbone interact. energy: -0.349
local terms energy: -47.636230
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: -3.987
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: 5
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -101.071121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.071121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.071121 (E_RNA)
where:
Base-Base interactions energy: -43.425
where: short stacking energy: -31.713
Base-Backbone interact. energy: -0.010
local terms energy: -57.636222
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -9.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -79.236638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.236638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.236638 (E_RNA)
where:
Base-Base interactions energy: -26.937
where: short stacking energy: -26.937
Base-Backbone interact. energy: -0.782
local terms energy: -51.517759
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -7.309
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: 9, replica: 10
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -86.416411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.416411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.416411 (E_RNA)
where:
Base-Base interactions energy: -42.195
where: short stacking energy: -34.587
Base-Backbone interact. energy: -0.091
local terms energy: -44.130164
where:
bonds (distance) C4'-P energy: -10.235
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -7.347
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -3.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -81.643357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.643357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.643357 (E_RNA)
where:
Base-Base interactions energy: -26.806
where: short stacking energy: -25.789
Base-Backbone interact. energy: -0.052
local terms energy: -54.785476
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -10.778
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -200.367636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.367636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.367636 (E_RNA)
where:
Base-Base interactions energy: -125.081
where: short stacking energy: -62.872
Base-Backbone interact. energy: -0.002
local terms energy: -75.284217
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -16.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -204.844170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.844170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.844170 (E_RNA)
where:
Base-Base interactions energy: -134.797
where: short stacking energy: -64.627
Base-Backbone interact. energy: -0.149
local terms energy: -69.898059
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -10.289
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -18.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -195.613768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.613768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.613768 (E_RNA)
where:
Base-Base interactions energy: -127.156
where: short stacking energy: -56.004
Base-Backbone interact. energy: -0.030
local terms energy: -68.427669
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -12.008
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: 8
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -151.883821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.883821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.883821 (E_RNA)
where:
Base-Base interactions energy: -91.548
where: short stacking energy: -49.639
Base-Backbone interact. energy: -0.065
local terms energy: -60.271266
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -5.517
tors. eta vs tors. theta energy: -9.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -161.340383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.340383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.340383 (E_RNA)
where:
Base-Base interactions energy: -99.165
where: short stacking energy: -55.421
Base-Backbone interact. energy: 1.122
local terms energy: -63.297445
where:
bonds (distance) C4'-P energy: -9.019
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -13.503
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -143.461031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.461031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.461031 (E_RNA)
where:
Base-Base interactions energy: -77.367
where: short stacking energy: -35.152
Base-Backbone interact. energy: -0.202
local terms energy: -65.892376
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -12.185
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: 7, replica: 7
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -85.293469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.293469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.293469 (E_RNA)
where:
Base-Base interactions energy: -33.358
where: short stacking energy: -29.975
Base-Backbone interact. energy: -0.217
local terms energy: -51.718114
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -5.766
tors. eta vs tors. theta energy: -2.370
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: 5
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -85.499313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.499313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.499313 (E_RNA)
where:
Base-Base interactions energy: -36.250
where: short stacking energy: -36.250
Base-Backbone interact. energy: -0.336
local terms energy: -48.913186
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -5.594
tors. eta vs tors. theta energy: -7.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -78.730522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.730522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.730522 (E_RNA)
where:
Base-Base interactions energy: -28.143
where: short stacking energy: -22.829
Base-Backbone interact. energy: -0.045
local terms energy: -50.543083
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -9.019
flat angles P-C4'-P energy: -1.580
tors. eta vs tors. theta energy: -10.644
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: 44
Temperature: 1.350000
Total energy: -81.224423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.224423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.224423 (E_RNA)
where:
Base-Base interactions energy: -32.450
where: short stacking energy: -23.421
Base-Backbone interact. energy: 0.796
local terms energy: -49.570715
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -8.106
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -3.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -192.810775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.810775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.810775 (E_RNA)
where:
Base-Base interactions energy: -122.688
where: short stacking energy: -67.450
Base-Backbone interact. energy: -0.295
local terms energy: -69.827906
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -16.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -206.052685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.052685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.052685 (E_RNA)
where:
Base-Base interactions energy: -132.390
where: short stacking energy: -61.235
Base-Backbone interact. energy: -0.087
local terms energy: -73.575551
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -18.520
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: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -161.210833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.210833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.210833 (E_RNA)
where:
Base-Base interactions energy: -95.534
where: short stacking energy: -45.603
Base-Backbone interact. energy: -0.432
local terms energy: -65.244250
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -10.608
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: 4, replica: 2
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -169.643879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.643879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.643879 (E_RNA)
where:
Base-Base interactions energy: -104.047
where: short stacking energy: -56.878
Base-Backbone interact. energy: -1.272
local terms energy: -64.324824
where:
bonds (distance) C4'-P energy: -5.666
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -11.788
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: 5, replica: 8
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -146.685861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.685861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.685861 (E_RNA)
where:
Base-Base interactions energy: -87.356
where: short stacking energy: -35.591
Base-Backbone interact. energy: -0.105
local terms energy: -59.224159
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -6.184
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: 6, replica: 3
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -110.553089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.553089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.553089 (E_RNA)
where:
Base-Base interactions energy: -58.807
where: short stacking energy: -22.525
Base-Backbone interact. energy: -0.470
local terms energy: -51.275539
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: 0.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -94.701531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.701531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.701531 (E_RNA)
where:
Base-Base interactions energy: -40.589
where: short stacking energy: -38.136
Base-Backbone interact. energy: -0.230
local terms energy: -53.883121
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -13.714
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -6.403
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: 45
Temperature: 1.250000
Total energy: -91.173947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.173947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.173947 (E_RNA)
where:
Base-Base interactions energy: -42.656
where: short stacking energy: -26.845
Base-Backbone interact. energy: -0.283
local terms energy: -48.235021
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -3.108
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: 5
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -76.929007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.929007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.929007 (E_RNA)
where:
Base-Base interactions energy: -27.045
where: short stacking energy: -26.680
Base-Backbone interact. energy: -0.194
local terms energy: -49.689995
where:
bonds (distance) C4'-P energy: -8.601
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -0.310
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: 10, replica: 10
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -73.892773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.892773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.892773 (E_RNA)
where:
Base-Base interactions energy: -29.009
where: short stacking energy: -25.288
Base-Backbone interact. energy: -0.129
local terms energy: -44.754536
where:
bonds (distance) C4'-P energy: -5.802
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: 0.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -205.231388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.231388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.231388 (E_RNA)
where:
Base-Base interactions energy: -134.735
where: short stacking energy: -74.253
Base-Backbone interact. energy: -0.001
local terms energy: -70.495127
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -18.816
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: 9
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -196.891614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.891614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.891614 (E_RNA)
where:
Base-Base interactions energy: -127.652
where: short stacking energy: -58.440
Base-Backbone interact. energy: -0.230
local terms energy: -69.009372
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -17.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -179.098154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.098154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.098154 (E_RNA)
where:
Base-Base interactions energy: -111.883
where: short stacking energy: -56.446
Base-Backbone interact. energy: -0.007
local terms energy: -67.207692
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -11.273
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -19.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -169.107368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.107368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.107368 (E_RNA)
where:
Base-Base interactions energy: -95.353
where: short stacking energy: -52.798
Base-Backbone interact. energy: -0.181
local terms energy: -73.573783
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -15.724
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: 5, replica: 8
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -177.532225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.532225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.532225 (E_RNA)
where:
Base-Base interactions energy: -105.424
where: short stacking energy: -50.315
Base-Backbone interact. energy: -0.357
local terms energy: -71.751108
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -14.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -90.405856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.405856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.405856 (E_RNA)
where:
Base-Base interactions energy: -34.599
where: short stacking energy: -32.942
Base-Backbone interact. energy: -0.140
local terms energy: -55.666501
where:
bonds (distance) C4'-P energy: -11.640
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -7.821
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -9.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -93.130947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.130947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.130947 (E_RNA)
where:
Base-Base interactions energy: -37.456
where: short stacking energy: -32.726
Base-Backbone interact. energy: -0.143
local terms energy: -55.531398
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -3.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -78.779629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.779629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.779629 (E_RNA)
where:
Base-Base interactions energy: -21.946
where: short stacking energy: -11.195
Base-Backbone interact. energy: 0.247
local terms energy: -57.080446
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -14.048
tors. eta vs tors. theta energy: -1.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -83.355534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.355534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.355534 (E_RNA)
where:
Base-Base interactions energy: -39.999
where: short stacking energy: -19.764
Base-Backbone interact. energy: -0.371
local terms energy: -42.985170
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -7.304
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: 2.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -80.243865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.243865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.243865 (E_RNA)
where:
Base-Base interactions energy: -29.027
where: short stacking energy: -25.248
Base-Backbone interact. energy: -0.587
local terms energy: -50.629162
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -4.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -203.845078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.845078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.845078 (E_RNA)
where:
Base-Base interactions energy: -126.695
where: short stacking energy: -69.335
Base-Backbone interact. energy: 0.064
local terms energy: -77.213771
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -21.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -181.015851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.015851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.015851 (E_RNA)
where:
Base-Base interactions energy: -112.257
where: short stacking energy: -59.705
Base-Backbone interact. energy: -0.105
local terms energy: -68.653739
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -9.686
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -16.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -206.167270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.167270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.167270 (E_RNA)
where:
Base-Base interactions energy: -134.164
where: short stacking energy: -64.890
Base-Backbone interact. energy: -0.685
local terms energy: -71.318011
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -15.302
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: 8
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -163.802849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.802849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.802849 (E_RNA)
where:
Base-Base interactions energy: -93.303
where: short stacking energy: -52.211
Base-Backbone interact. energy: -0.393
local terms energy: -70.106776
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -12.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -161.684949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.684949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.684949 (E_RNA)
where:
Base-Base interactions energy: -97.811
where: short stacking energy: -49.148
Base-Backbone interact. energy: -0.233
local terms energy: -63.641219
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -9.651
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -13.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -111.314774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.314774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.314774 (E_RNA)
where:
Base-Base interactions energy: -45.962
where: short stacking energy: -45.962
Base-Backbone interact. energy: -0.121
local terms energy: -65.231867
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -13.714
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -14.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -92.964664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.964664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.964664 (E_RNA)
where:
Base-Base interactions energy: -34.742
where: short stacking energy: -31.487
Base-Backbone interact. energy: -0.543
local terms energy: -57.679419
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -5.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -82.415324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.415324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.415324 (E_RNA)
where:
Base-Base interactions energy: -34.959
where: short stacking energy: -12.212
Base-Backbone interact. energy: -0.895
local terms energy: -46.561427
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: 2.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -84.440387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.440387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.440387 (E_RNA)
where:
Base-Base interactions energy: -37.161
where: short stacking energy: -34.927
Base-Backbone interact. energy: -0.139
local terms energy: -47.140485
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -11.163
flat angles P-C4'-P energy: -3.395
tors. eta vs tors. theta energy: -6.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -80.524627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.524627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.524627 (E_RNA)
where:
Base-Base interactions energy: -31.263
where: short stacking energy: -22.314
Base-Backbone interact. energy: -0.452
local terms energy: -48.809469
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -11.524
flat angles P-C4'-P energy: -4.760
tors. eta vs tors. theta energy: -1.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -205.535249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.535249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.535249 (E_RNA)
where:
Base-Base interactions energy: -126.374
where: short stacking energy: -56.800
Base-Backbone interact. energy: -2.053
local terms energy: -77.108001
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: -16.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -203.942825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.942825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.942825 (E_RNA)
where:
Base-Base interactions energy: -128.865
where: short stacking energy: -60.133
Base-Backbone interact. energy: -0.102
local terms energy: -74.975571
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -19.010
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: 48
Temperature: 1.000000
Total energy: -197.348732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.348732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.348732 (E_RNA)
where:
Base-Base interactions energy: -130.312
where: short stacking energy: -58.178
Base-Backbone interact. energy: -0.880
local terms energy: -66.156354
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -13.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -167.343861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.343861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.343861 (E_RNA)
where:
Base-Base interactions energy: -102.246
where: short stacking energy: -58.111
Base-Backbone interact. energy: -0.058
local terms energy: -65.040311
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -13.658
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: 5, replica: 6
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -98.833933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.833933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.833933 (E_RNA)
where:
Base-Base interactions energy: -42.381
where: short stacking energy: -39.016
Base-Backbone interact. energy: -0.193
local terms energy: -56.260046
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -15.422
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -6.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -162.040575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.040575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.040575 (E_RNA)
where:
Base-Base interactions energy: -103.241
where: short stacking energy: -56.054
Base-Backbone interact. energy: -0.033
local terms energy: -58.766258
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -10.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -85.703185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.703185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.703185 (E_RNA)
where:
Base-Base interactions energy: -30.574
where: short stacking energy: -30.574
Base-Backbone interact. energy: -0.167
local terms energy: -54.962048
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -5.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -83.070789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.070789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.070789 (E_RNA)
where:
Base-Base interactions energy: -34.866
where: short stacking energy: -34.866
Base-Backbone interact. energy: 1.232
local terms energy: -49.436975
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -7.827
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -4.085
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: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -77.809400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.809400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.809400 (E_RNA)
where:
Base-Base interactions energy: -28.027
where: short stacking energy: -24.862
Base-Backbone interact. energy: -0.350
local terms energy: -49.433268
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -1.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -74.489774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.489774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.489774 (E_RNA)
where:
Base-Base interactions energy: -32.336
where: short stacking energy: -22.879
Base-Backbone interact. energy: 0.144
local terms energy: -42.297996
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -7.826
flat angles P-C4'-P energy: -9.796
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: 1, replica: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -208.557717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.557717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.557717 (E_RNA)
where:
Base-Base interactions energy: -138.485
where: short stacking energy: -68.750
Base-Backbone interact. energy: -0.347
local terms energy: -69.725755
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -17.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -204.068115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.068115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.068115 (E_RNA)
where:
Base-Base interactions energy: -134.004
where: short stacking energy: -63.468
Base-Backbone interact. energy: -0.067
local terms energy: -69.996994
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -15.498
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: 2
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -176.358876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.358876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.358876 (E_RNA)
where:
Base-Base interactions energy: -108.254
where: short stacking energy: -58.939
Base-Backbone interact. energy: -0.123
local terms energy: -67.981807
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -11.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -168.795957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.795957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.795957 (E_RNA)
where:
Base-Base interactions energy: -96.936
where: short stacking energy: -52.899
Base-Backbone interact. energy: -0.632
local terms energy: -71.228392
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -14.524
tors. eta vs tors. theta energy: -12.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -89.335398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.335398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.335398 (E_RNA)
where:
Base-Base interactions energy: -26.263
where: short stacking energy: -24.463
Base-Backbone interact. energy: -0.191
local terms energy: -62.881143
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -5.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -156.430313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.430313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.430313 (E_RNA)
where:
Base-Base interactions energy: -100.831
where: short stacking energy: -45.884
Base-Backbone interact. energy: 0.072
local terms energy: -55.671349
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: -11.062
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -12.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -97.045499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.045499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.045499 (E_RNA)
where:
Base-Base interactions energy: -44.671
where: short stacking energy: -44.319
Base-Backbone interact. energy: -0.056
local terms energy: -52.319270
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -6.602
tors. eta vs tors. theta energy: -8.949
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: 10
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -93.006926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.006926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.006926 (E_RNA)
where:
Base-Base interactions energy: -36.806
where: short stacking energy: -32.911
Base-Backbone interact. energy: -0.116
local terms energy: -56.085077
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -5.484
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: 3
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -76.694158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.694158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.694158 (E_RNA)
where:
Base-Base interactions energy: -26.951
where: short stacking energy: -21.233
Base-Backbone interact. energy: -0.094
local terms energy: -49.648941
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: 2.532
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: 10, replica: 7
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -77.397531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.397531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.397531 (E_RNA)
where:
Base-Base interactions energy: -35.049
where: short stacking energy: -35.049
Base-Backbone interact. energy: -0.120
local terms energy: -42.228728
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -9.685
flat angles P-C4'-P energy: -3.931
tors. eta vs tors. theta energy: -3.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -200.346565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.346565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.346565 (E_RNA)
where:
Base-Base interactions energy: -126.331
where: short stacking energy: -59.934
Base-Backbone interact. energy: -0.141
local terms energy: -73.874194
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -6.527
tors. eta vs tors. theta energy: -18.129
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: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -201.033662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.033662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.033662 (E_RNA)
where:
Base-Base interactions energy: -126.695
where: short stacking energy: -66.192
Base-Backbone interact. energy: -0.074
local terms energy: -74.264513
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -17.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -170.831424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.831424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.831424 (E_RNA)
where:
Base-Base interactions energy: -100.646
where: short stacking energy: -48.420
Base-Backbone interact. energy: -0.488
local terms energy: -69.697974
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -11.755
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -15.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -174.273585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.273585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.273585 (E_RNA)
where:
Base-Base interactions energy: -103.993
where: short stacking energy: -55.986
Base-Backbone interact. energy: -0.097
local terms energy: -70.183910
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -6.610
tors. eta vs tors. theta energy: -18.620
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: 50
Temperature: 1.100000
Total energy: -174.425027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.425027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.425027 (E_RNA)
where:
Base-Base interactions energy: -105.854
where: short stacking energy: -57.522
Base-Backbone interact. energy: -0.123
local terms energy: -68.448449
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -15.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -93.688084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.688084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.688084 (E_RNA)
where:
Base-Base interactions energy: -41.557
where: short stacking energy: -41.557
Base-Backbone interact. energy: 6.673
local terms energy: -58.803723
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -8.799
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: 10
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -80.910101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.910101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.910101 (E_RNA)
where:
Base-Base interactions energy: -30.826
where: short stacking energy: -26.132
Base-Backbone interact. energy: -0.226
local terms energy: -49.858386
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -7.592
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: 8, replica: 5
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -83.944677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.944677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.944677 (E_RNA)
where:
Base-Base interactions energy: -28.750
where: short stacking energy: -24.003
Base-Backbone interact. energy: -0.877
local terms energy: -54.317734
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -7.872
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: 7
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -84.614118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.614118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.614118 (E_RNA)
where:
Base-Base interactions energy: -40.881
where: short stacking energy: -27.208
Base-Backbone interact. energy: 0.232
local terms energy: -43.964478
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -9.015
flat angles P-C4'-P energy: -6.266
tors. eta vs tors. theta energy: -0.998
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: 10, replica: 3
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -78.256667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.256667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.256667 (E_RNA)
where:
Base-Base interactions energy: -32.084
where: short stacking energy: -22.389
Base-Backbone interact. energy: -0.015
local terms energy: -46.158342
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -2.604
tors. eta vs tors. theta energy: 0.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -214.819430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.819430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.819430 (E_RNA)
where:
Base-Base interactions energy: -139.202
where: short stacking energy: -63.588
Base-Backbone interact. energy: -0.138
local terms energy: -75.479281
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -18.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -199.861648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.861648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.861648 (E_RNA)
where:
Base-Base interactions energy: -125.852
where: short stacking energy: -58.449
Base-Backbone interact. energy: -0.374
local terms energy: -73.635953
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -12.226
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -16.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -168.487433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.487433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.487433 (E_RNA)
where:
Base-Base interactions energy: -101.990
where: short stacking energy: -56.292
Base-Backbone interact. energy: -0.004
local terms energy: -66.493406
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -12.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -175.877224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.877224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.877224 (E_RNA)
where:
Base-Base interactions energy: -109.093
where: short stacking energy: -58.408
Base-Backbone interact. energy: -0.044
local terms energy: -66.741105
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -5.172
tors. eta vs tors. theta energy: -14.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -179.618738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.618738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.618738 (E_RNA)
where:
Base-Base interactions energy: -115.570
where: short stacking energy: -60.387
Base-Backbone interact. energy: -0.287
local terms energy: -63.761670
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -9.458
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -15.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -114.355733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.355733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.355733 (E_RNA)
where:
Base-Base interactions energy: -60.345
where: short stacking energy: -41.299
Base-Backbone interact. energy: -0.105
local terms energy: -53.905140
where:
bonds (distance) C4'-P energy: -10.028
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -4.459
tors. eta vs tors. theta energy: -8.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -104.658766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.658766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.658766 (E_RNA)
where:
Base-Base interactions energy: -49.032
where: short stacking energy: -48.774
Base-Backbone interact. energy: -0.187
local terms energy: -55.440524
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -6.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -78.300475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.300475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.300475 (E_RNA)
where:
Base-Base interactions energy: -30.867
where: short stacking energy: -29.501
Base-Backbone interact. energy: -0.087
local terms energy: -47.346129
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -7.847
flat angles C4'-P-C4' energy: -9.481
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -5.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -73.771124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.771124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.771124 (E_RNA)
where:
Base-Base interactions energy: -20.583
where: short stacking energy: -17.274
Base-Backbone interact. energy: -0.228
local terms energy: -52.959757
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -4.820
tors. eta vs tors. theta energy: -1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -83.022938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.022938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.022938 (E_RNA)
where:
Base-Base interactions energy: -32.937
where: short stacking energy: -27.334
Base-Backbone interact. energy: -0.222
local terms energy: -49.863559
where:
bonds (distance) C4'-P energy: -10.460
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -209.537699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.537699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.537699 (E_RNA)
where:
Base-Base interactions energy: -142.170
where: short stacking energy: -63.594
Base-Backbone interact. energy: -0.142
local terms energy: -67.225295
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -17.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -204.064601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.064601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.064601 (E_RNA)
where:
Base-Base interactions energy: -125.489
where: short stacking energy: -68.157
Base-Backbone interact. energy: -0.003
local terms energy: -78.572881
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -19.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -157.620745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.620745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.620745 (E_RNA)
where:
Base-Base interactions energy: -93.697
where: short stacking energy: -45.447
Base-Backbone interact. energy: -0.181
local terms energy: -63.742708
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -9.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -184.630896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.630896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.630896 (E_RNA)
where:
Base-Base interactions energy: -114.209
where: short stacking energy: -59.257
Base-Backbone interact. energy: -0.111
local terms energy: -70.311708
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -14.890
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: 2
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -172.905970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.905970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.905970 (E_RNA)
where:
Base-Base interactions energy: -97.751
where: short stacking energy: -56.948
Base-Backbone interact. energy: -0.018
local terms energy: -75.137041
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -16.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -94.665334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.665334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.665334 (E_RNA)
where:
Base-Base interactions energy: -45.323
where: short stacking energy: -27.770
Base-Backbone interact. energy: -0.030
local terms energy: -49.312454
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -6.247
tors. eta vs tors. theta energy: -4.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -86.981379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.981379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.981379 (E_RNA)
where:
Base-Base interactions energy: -38.621
where: short stacking energy: -28.446
Base-Backbone interact. energy: -0.323
local terms energy: -48.037192
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -6.652
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -0.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -91.158419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.158419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.158419 (E_RNA)
where:
Base-Base interactions energy: -35.800
where: short stacking energy: -31.521
Base-Backbone interact. energy: -0.141
local terms energy: -55.218118
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -2.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -93.180281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.180281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.180281 (E_RNA)
where:
Base-Base interactions energy: -45.413
where: short stacking energy: -33.311
Base-Backbone interact. energy: -0.017
local terms energy: -47.750171
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -8.291
flat angles P-C4'-P energy: -6.801
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: 10, replica: 5
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -70.811480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.811480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.811480 (E_RNA)
where:
Base-Base interactions energy: -28.634
where: short stacking energy: -27.903
Base-Backbone interact. energy: -0.159
local terms energy: -42.017749
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -9.647
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: 3.212
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: 9
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -211.363094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.363094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.363094 (E_RNA)
where:
Base-Base interactions energy: -134.672
where: short stacking energy: -69.951
Base-Backbone interact. energy: -0.603
local terms energy: -76.087753
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -19.635
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: 8
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -177.867167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.867167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.867167 (E_RNA)
where:
Base-Base interactions energy: -111.864
where: short stacking energy: -58.919
Base-Backbone interact. energy: 1.191
local terms energy: -67.193758
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -13.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -191.442166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.442166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.442166 (E_RNA)
where:
Base-Base interactions energy: -112.589
where: short stacking energy: -70.395
Base-Backbone interact. energy: -0.037
local terms energy: -78.815954
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -20.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -171.440717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.440717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.440717 (E_RNA)
where:
Base-Base interactions energy: -103.301
where: short stacking energy: -50.089
Base-Backbone interact. energy: -0.312
local terms energy: -67.828135
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -13.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -191.823895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.823895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.823895 (E_RNA)
where:
Base-Base interactions energy: -113.885
where: short stacking energy: -60.203
Base-Backbone interact. energy: -0.216
local terms energy: -77.723284
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -18.617
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: 7
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -96.768282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.768282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.768282 (E_RNA)
where:
Base-Base interactions energy: -45.074
where: short stacking energy: -35.719
Base-Backbone interact. energy: -0.069
local terms energy: -51.625023
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -4.344
tors. eta vs tors. theta energy: -9.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -88.464773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.464773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.464773 (E_RNA)
where:
Base-Base interactions energy: -40.206
where: short stacking energy: -29.393
Base-Backbone interact. energy: 1.545
local terms energy: -49.803491
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -5.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -88.494381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.494381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.494381 (E_RNA)
where:
Base-Base interactions energy: -37.322
where: short stacking energy: -21.250
Base-Backbone interact. energy: -0.281
local terms energy: -50.890814
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -5.490
tors. eta vs tors. theta energy: -2.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -76.614224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.614224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.614224 (E_RNA)
where:
Base-Base interactions energy: -27.028
where: short stacking energy: -24.814
Base-Backbone interact. energy: -0.084
local terms energy: -49.502357
where:
bonds (distance) C4'-P energy: -8.706
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -2.927
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: 10, replica: 5
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -70.344996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.344996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.344996 (E_RNA)
where:
Base-Base interactions energy: -20.762
where: short stacking energy: -20.762
Base-Backbone interact. energy: -0.190
local terms energy: -49.392812
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: 0.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -217.229611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.229611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.229611 (E_RNA)
where:
Base-Base interactions energy: -142.149
where: short stacking energy: -69.733
Base-Backbone interact. energy: -0.313
local terms energy: -74.768208
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -19.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -165.648253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.648253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.648253 (E_RNA)
where:
Base-Base interactions energy: -100.819
where: short stacking energy: -51.949
Base-Backbone interact. energy: -0.232
local terms energy: -64.597556
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -14.367
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: 1
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -177.920117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.920117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.920117 (E_RNA)
where:
Base-Base interactions energy: -111.349
where: short stacking energy: -55.599
Base-Backbone interact. energy: -0.098
local terms energy: -66.473079
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -15.292
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: 4, replica: 2
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -162.533361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.533361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.533361 (E_RNA)
where:
Base-Base interactions energy: -99.030
where: short stacking energy: -46.725
Base-Backbone interact. energy: 0.347
local terms energy: -63.851185
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -10.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -164.753916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.753916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.753916 (E_RNA)
where:
Base-Base interactions energy: -103.478
where: short stacking energy: -54.030
Base-Backbone interact. energy: 0.500
local terms energy: -61.775114
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -13.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -101.832167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.832167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.832167 (E_RNA)
where:
Base-Base interactions energy: -42.231
where: short stacking energy: -29.302
Base-Backbone interact. energy: 1.780
local terms energy: -61.381177
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -6.391
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: 7, replica: 10
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -96.173172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.173172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.173172 (E_RNA)
where:
Base-Base interactions energy: -50.652
where: short stacking energy: -26.832
Base-Backbone interact. energy: -0.154
local terms energy: -45.366747
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -6.679
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -4.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -89.036963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.036963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.036963 (E_RNA)
where:
Base-Base interactions energy: -34.969
where: short stacking energy: -34.969
Base-Backbone interact. energy: -0.158
local terms energy: -53.909401
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: -0.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -81.224804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.224804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.224804 (E_RNA)
where:
Base-Base interactions energy: -31.975
where: short stacking energy: -27.924
Base-Backbone interact. energy: -0.887
local terms energy: -48.362941
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -7.058
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -4.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -81.211991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.211991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.211991 (E_RNA)
where:
Base-Base interactions energy: -34.021
where: short stacking energy: -22.038
Base-Backbone interact. energy: -0.174
local terms energy: -47.016995
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -14.031
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -3.637
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: 1, replica: 9
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -215.621258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.621258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.621258 (E_RNA)
where:
Base-Base interactions energy: -146.875
where: short stacking energy: -62.325
Base-Backbone interact. energy: -0.075
local terms energy: -68.670750
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -14.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -183.883804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.883804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.883804 (E_RNA)
where:
Base-Base interactions energy: -109.762
where: short stacking energy: -56.043
Base-Backbone interact. energy: -0.112
local terms energy: -74.009744
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -14.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -157.285737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.285737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.285737 (E_RNA)
where:
Base-Base interactions energy: -94.046
where: short stacking energy: -55.393
Base-Backbone interact. energy: -0.001
local terms energy: -63.238695
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -5.951
tors. eta vs tors. theta energy: -13.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -173.914575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.914575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.914575 (E_RNA)
where:
Base-Base interactions energy: -105.475
where: short stacking energy: -55.167
Base-Backbone interact. energy: -0.185
local terms energy: -68.254517
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -14.103
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: 2
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -141.410685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.410685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.410685 (E_RNA)
where:
Base-Base interactions energy: -81.281
where: short stacking energy: -43.519
Base-Backbone interact. energy: -0.241
local terms energy: -59.888352
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -9.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -97.168675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.168675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.168675 (E_RNA)
where:
Base-Base interactions energy: -46.436
where: short stacking energy: -37.824
Base-Backbone interact. energy: 1.309
local terms energy: -52.041423
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -3.355
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: 7, replica: 7
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -87.707389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.707389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.707389 (E_RNA)
where:
Base-Base interactions energy: -29.648
where: short stacking energy: -27.850
Base-Backbone interact. energy: -0.232
local terms energy: -57.828092
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -7.802
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: 55
Temperature: 1.250000
Total energy: -85.817315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.817315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.817315 (E_RNA)
where:
Base-Base interactions energy: -34.255
where: short stacking energy: -33.507
Base-Backbone interact. energy: -0.003
local terms energy: -51.559167
where:
bonds (distance) C4'-P energy: -8.853
bonds (distance) P-C4' energy: -9.832
flat angles C4'-P-C4' energy: -10.056
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -10.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -81.437721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.437721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.437721 (E_RNA)
where:
Base-Base interactions energy: -26.855
where: short stacking energy: -27.441
Base-Backbone interact. energy: -0.317
local terms energy: -54.265799
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -11.705
flat angles C4'-P-C4' energy: -11.781
flat angles P-C4'-P energy: -11.903
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: 10, replica: 6
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -73.809382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.809382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.809382 (E_RNA)
where:
Base-Base interactions energy: -31.670
where: short stacking energy: -22.458
Base-Backbone interact. energy: 0.267
local terms energy: -42.406353
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -12.404
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -2.801
tors. eta vs tors. theta energy: -0.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -203.648013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.648013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.648013 (E_RNA)
where:
Base-Base interactions energy: -130.328
where: short stacking energy: -61.701
Base-Backbone interact. energy: -0.501
local terms energy: -72.818968
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -12.174
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -18.449
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: 9
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -211.962045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.962045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.962045 (E_RNA)
where:
Base-Base interactions energy: -134.364
where: short stacking energy: -61.554
Base-Backbone interact. energy: -0.973
local terms energy: -76.625800
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -19.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -165.836404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.836404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.836404 (E_RNA)
where:
Base-Base interactions energy: -95.918
where: short stacking energy: -53.312
Base-Backbone interact. energy: -0.790
local terms energy: -69.128557
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -11.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -171.483672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.483672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.483672 (E_RNA)
where:
Base-Base interactions energy: -104.339
where: short stacking energy: -55.293
Base-Backbone interact. energy: -0.072
local terms energy: -67.072658
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -11.436
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -15.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -153.808393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.808393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.808393 (E_RNA)
where:
Base-Base interactions energy: -94.368
where: short stacking energy: -46.186
Base-Backbone interact. energy: -0.026
local terms energy: -59.414420
where:
bonds (distance) C4'-P energy: -12.723
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -5.748
tors. eta vs tors. theta energy: -9.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -171.398906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.398906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.398906 (E_RNA)
where:
Base-Base interactions energy: -105.402
where: short stacking energy: -53.228
Base-Backbone interact. energy: -0.000
local terms energy: -65.997029
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -13.147
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -6.834
tors. eta vs tors. theta energy: -15.564
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: 7, replica: 3
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -89.546084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.546084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.546084 (E_RNA)
where:
Base-Base interactions energy: -35.461
where: short stacking energy: -35.461
Base-Backbone interact. energy: -0.116
local terms energy: -53.969085
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -2.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -85.482628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.482628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.482628 (E_RNA)
where:
Base-Base interactions energy: -34.137
where: short stacking energy: -32.636
Base-Backbone interact. energy: -0.137
local terms energy: -51.208129
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -4.974
tors. eta vs tors. theta energy: -7.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -79.400921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.400921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.400921 (E_RNA)
where:
Base-Base interactions energy: -33.252
where: short stacking energy: -18.278
Base-Backbone interact. energy: -0.171
local terms energy: -45.977809
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -8.832
flat angles P-C4'-P energy: -9.939
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: 5
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -71.608264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.608264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.608264 (E_RNA)
where:
Base-Base interactions energy: -31.077
where: short stacking energy: -24.823
Base-Backbone interact. energy: -0.972
local terms energy: -39.558852
where:
bonds (distance) C4'-P energy: -10.188
bonds (distance) P-C4' energy: -7.951
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: 0.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -186.196456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.196456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.196456 (E_RNA)
where:
Base-Base interactions energy: -104.394
where: short stacking energy: -62.243
Base-Backbone interact. energy: -0.015
local terms energy: -81.787823
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -13.664
tors. eta vs tors. theta energy: -17.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -209.297348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.297348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.297348 (E_RNA)
where:
Base-Base interactions energy: -140.514
where: short stacking energy: -62.568
Base-Backbone interact. energy: -0.296
local terms energy: -68.487324
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -8.154
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -15.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -158.778382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.778382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.778382 (E_RNA)
where:
Base-Base interactions energy: -95.489
where: short stacking energy: -46.155
Base-Backbone interact. energy: -0.454
local terms energy: -62.834804
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: -9.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -163.999671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.999671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.999671 (E_RNA)
where:
Base-Base interactions energy: -95.649
where: short stacking energy: -47.462
Base-Backbone interact. energy: -0.064
local terms energy: -68.286123
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -13.623
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: 8
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -170.603117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.603117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.603117 (E_RNA)
where:
Base-Base interactions energy: -105.254
where: short stacking energy: -51.932
Base-Backbone interact. energy: 0.015
local terms energy: -65.364243
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -11.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -159.870487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.870487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.870487 (E_RNA)
where:
Base-Base interactions energy: -99.847
where: short stacking energy: -33.880
Base-Backbone interact. energy: 0.704
local terms energy: -60.727541
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -11.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -103.537068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.537068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.537068 (E_RNA)
where:
Base-Base interactions energy: -37.936
where: short stacking energy: -37.052
Base-Backbone interact. energy: 1.851
local terms energy: -67.451401
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -8.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -101.049982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.049982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.049982 (E_RNA)
where:
Base-Base interactions energy: -54.173
where: short stacking energy: -35.152
Base-Backbone interact. energy: -0.113
local terms energy: -46.763766
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -10.738
flat angles P-C4'-P energy: -8.824
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: 9, replica: 6
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -85.509186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.509186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.509186 (E_RNA)
where:
Base-Base interactions energy: -32.074
where: short stacking energy: -32.074
Base-Backbone interact. energy: -0.005
local terms energy: -53.429651
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -11.218
flat angles P-C4'-P energy: -4.724
tors. eta vs tors. theta energy: -5.702
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: 5
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -71.313259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.313259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.313259 (E_RNA)
where:
Base-Base interactions energy: -26.619
where: short stacking energy: -26.619
Base-Backbone interact. energy: -1.099
local terms energy: -43.594895
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -6.406
flat angles P-C4'-P energy: -6.855
tors. eta vs tors. theta energy: 0.853
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: 9
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -200.825236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.825236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.825236 (E_RNA)
where:
Base-Base interactions energy: -126.865
where: short stacking energy: -68.078
Base-Backbone interact. energy: -0.749
local terms energy: -73.211397
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -16.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -189.209947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.209947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.209947 (E_RNA)
where:
Base-Base interactions energy: -116.144
where: short stacking energy: -68.479
Base-Backbone interact. energy: -0.013
local terms energy: -73.052580
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -16.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -178.343152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.343152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.343152 (E_RNA)
where:
Base-Base interactions energy: -106.426
where: short stacking energy: -56.299
Base-Backbone interact. energy: -0.036
local terms energy: -71.881099
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -12.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -143.679762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.679762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.679762 (E_RNA)
where:
Base-Base interactions energy: -80.604
where: short stacking energy: -41.418
Base-Backbone interact. energy: 0.091
local terms energy: -63.166727
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -9.509
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -8.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -153.893577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.893577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.893577 (E_RNA)
where:
Base-Base interactions energy: -84.754
where: short stacking energy: -48.134
Base-Backbone interact. energy: -0.076
local terms energy: -69.062702
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -15.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -105.554061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.554061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.554061 (E_RNA)
where:
Base-Base interactions energy: -50.552
where: short stacking energy: -49.443
Base-Backbone interact. energy: 0.078
local terms energy: -55.079630
where:
bonds (distance) C4'-P energy: -9.682
bonds (distance) P-C4' energy: -10.836
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -11.086
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: 3
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -106.229510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.229510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.229510 (E_RNA)
where:
Base-Base interactions energy: -57.527
where: short stacking energy: -45.290
Base-Backbone interact. energy: 0.089
local terms energy: -48.791694
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -4.267
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: 8, replica: 7
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -92.030405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.030405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.030405 (E_RNA)
where:
Base-Base interactions energy: -44.795
where: short stacking energy: -39.049
Base-Backbone interact. energy: -1.058
local terms energy: -46.177171
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -11.543
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -6.501
tors. eta vs tors. theta energy: -3.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -95.959148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.959148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.959148 (E_RNA)
where:
Base-Base interactions energy: -49.211
where: short stacking energy: -24.547
Base-Backbone interact. energy: -0.283
local terms energy: -46.464459
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -10.547
flat angles C4'-P-C4' energy: -5.892
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -6.551
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: 5
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -70.516505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.516505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.516505 (E_RNA)
where:
Base-Base interactions energy: -22.510
where: short stacking energy: -22.510
Base-Backbone interact. energy: -0.194
local terms energy: -47.812155
where:
bonds (distance) C4'-P energy: -8.381
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -10.989
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -2.535
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: 59
Temperature: 0.900000
Total energy: -190.472625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.472625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.472625 (E_RNA)
where:
Base-Base interactions energy: -115.325
where: short stacking energy: -65.859
Base-Backbone interact. energy: -0.106
local terms energy: -75.041845
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -17.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -186.387883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.387883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.387883 (E_RNA)
where:
Base-Base interactions energy: -115.170
where: short stacking energy: -67.033
Base-Backbone interact. energy: -0.074
local terms energy: -71.143040
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -18.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -189.454836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.454836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.454836 (E_RNA)
where:
Base-Base interactions energy: -122.370
where: short stacking energy: -60.065
Base-Backbone interact. energy: -0.673
local terms energy: -66.412770
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -6.325
tors. eta vs tors. theta energy: -16.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -177.450040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.450040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.450040 (E_RNA)
where:
Base-Base interactions energy: -109.210
where: short stacking energy: -57.956
Base-Backbone interact. energy: -0.103
local terms energy: -68.137124
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -18.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -134.944884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.944884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.944884 (E_RNA)
where:
Base-Base interactions energy: -73.597
where: short stacking energy: -39.423
Base-Backbone interact. energy: -0.025
local terms energy: -61.322784
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -6.480
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: 6, replica: 3
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -94.078627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.078627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.078627 (E_RNA)
where:
Base-Base interactions energy: -30.098
where: short stacking energy: -30.098
Base-Backbone interact. energy: -0.222
local terms energy: -63.758372
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -5.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -97.582793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.582793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.582793 (E_RNA)
where:
Base-Base interactions energy: -50.944
where: short stacking energy: -22.703
Base-Backbone interact. energy: -0.232
local terms energy: -46.406743
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -8.912
flat angles P-C4'-P energy: -9.283
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: 8, replica: 6
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -79.594172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.594172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.594172 (E_RNA)
where:
Base-Base interactions energy: -25.223
where: short stacking energy: -25.223
Base-Backbone interact. energy: -0.423
local terms energy: -53.948048
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -3.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -82.640994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.640994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.640994 (E_RNA)
where:
Base-Base interactions energy: -21.708
where: short stacking energy: -21.708
Base-Backbone interact. energy: -0.033
local terms energy: -60.900476
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -7.126
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: 5
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -78.357824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.357824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.357824 (E_RNA)
where:
Base-Base interactions energy: -25.409
where: short stacking energy: -25.409
Base-Backbone interact. energy: 1.290
local terms energy: -54.238658
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: 1.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -188.246291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.246291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.246291 (E_RNA)
where:
Base-Base interactions energy: -122.014
where: short stacking energy: -69.451
Base-Backbone interact. energy: -0.080
local terms energy: -66.152505
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -17.048
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: 2
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -184.132339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.132339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.132339 (E_RNA)
where:
Base-Base interactions energy: -110.200
where: short stacking energy: -61.473
Base-Backbone interact. energy: -1.587
local terms energy: -72.345464
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -13.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -170.799083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.799083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.799083 (E_RNA)
where:
Base-Base interactions energy: -107.965
where: short stacking energy: -58.216
Base-Backbone interact. energy: -0.206
local terms energy: -62.628661
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -12.239
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -13.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -180.172954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.172954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.172954 (E_RNA)
where:
Base-Base interactions energy: -109.558
where: short stacking energy: -58.089
Base-Backbone interact. energy: -0.006
local terms energy: -70.608474
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -12.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -144.864910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.864910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.864910 (E_RNA)
where:
Base-Base interactions energy: -83.808
where: short stacking energy: -44.850
Base-Backbone interact. energy: -0.115
local terms energy: -60.941288
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -7.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -92.124604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.124604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.124604 (E_RNA)
where:
Base-Base interactions energy: -39.345
where: short stacking energy: -31.571
Base-Backbone interact. energy: -0.167
local terms energy: -52.613448
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -4.181
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: 6
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -93.660937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.660937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.660937 (E_RNA)
where:
Base-Base interactions energy: -42.085
where: short stacking energy: -34.767
Base-Backbone interact. energy: -0.112
local terms energy: -51.464460
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -11.527
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -6.467
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: 8, replica: 10
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -88.768777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.768777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.768777 (E_RNA)
where:
Base-Base interactions energy: -43.784
where: short stacking energy: -23.298
Base-Backbone interact. energy: -0.154
local terms energy: -44.830712
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -6.105
tors. eta vs tors. theta energy: -2.326
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: 5
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -86.023307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.023307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.023307 (E_RNA)
where:
Base-Base interactions energy: -34.069
where: short stacking energy: -31.859
Base-Backbone interact. energy: -0.324
local terms energy: -51.630701
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -10.917
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -6.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -86.842705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.842705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.842705 (E_RNA)
where:
Base-Base interactions energy: -35.100
where: short stacking energy: -24.760
Base-Backbone interact. energy: -0.427
local terms energy: -51.316033
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -10.854
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -3.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -195.386928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.386928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.386928 (E_RNA)
where:
Base-Base interactions energy: -120.003
where: short stacking energy: -67.129
Base-Backbone interact. energy: -0.172
local terms energy: -75.211513
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -17.958
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: 2, replica: 2
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -181.345953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.345953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.345953 (E_RNA)
where:
Base-Base interactions energy: -108.325
where: short stacking energy: -58.115
Base-Backbone interact. energy: -0.170
local terms energy: -72.851367
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -18.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -188.325667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.325667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.325667 (E_RNA)
where:
Base-Base interactions energy: -104.330
where: short stacking energy: -64.346
Base-Backbone interact. energy: -0.021
local terms energy: -83.974462
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -22.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -176.659387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.659387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.659387 (E_RNA)
where:
Base-Base interactions energy: -104.809
where: short stacking energy: -51.509
Base-Backbone interact. energy: -0.161
local terms energy: -71.688842
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -18.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -165.083337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.083337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.083337 (E_RNA)
where:
Base-Base interactions energy: -103.925
where: short stacking energy: -54.326
Base-Backbone interact. energy: -0.086
local terms energy: -61.072036
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -9.522
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -16.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -89.781079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.781079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.781079 (E_RNA)
where:
Base-Base interactions energy: -34.197
where: short stacking energy: -34.093
Base-Backbone interact. energy: -0.976
local terms energy: -54.608006
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -6.049
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: 7, replica: 3
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -88.764331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.764331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.764331 (E_RNA)
where:
Base-Base interactions energy: -31.200
where: short stacking energy: -28.153
Base-Backbone interact. energy: -0.210
local terms energy: -57.354331
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -1.380
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: 10
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -84.917201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.917201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.917201 (E_RNA)
where:
Base-Base interactions energy: -28.426
where: short stacking energy: -28.426
Base-Backbone interact. energy: -0.243
local terms energy: -56.248293
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -11.429
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -5.183
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: 5
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -80.646876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.646876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.646876 (E_RNA)
where:
Base-Base interactions energy: -37.234
where: short stacking energy: -25.901
Base-Backbone interact. energy: -0.120
local terms energy: -43.292801
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -4.507
tors. eta vs tors. theta energy: -1.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -79.613460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.613460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.613460 (E_RNA)
where:
Base-Base interactions energy: -25.151
where: short stacking energy: -25.151
Base-Backbone interact. energy: -0.685
local terms energy: -53.778354
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -5.094
tors. eta vs tors. theta energy: -3.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -203.207551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.207551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.207551 (E_RNA)
where:
Base-Base interactions energy: -123.592
where: short stacking energy: -57.783
Base-Backbone interact. energy: -0.006
local terms energy: -79.609821
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -14.776
tors. eta vs tors. theta energy: -18.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -186.651661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.651661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.651661 (E_RNA)
where:
Base-Base interactions energy: -109.625
where: short stacking energy: -59.576
Base-Backbone interact. energy: -0.347
local terms energy: -76.680210
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -18.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -183.357452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.357452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.357452 (E_RNA)
where:
Base-Base interactions energy: -110.347
where: short stacking energy: -63.929
Base-Backbone interact. energy: -0.001
local terms energy: -73.009289
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -17.368
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: 1
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -169.398479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.398479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.398479 (E_RNA)
where:
Base-Base interactions energy: -100.732
where: short stacking energy: -54.270
Base-Backbone interact. energy: -0.895
local terms energy: -67.771130
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -17.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -161.309806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.309806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.309806 (E_RNA)
where:
Base-Base interactions energy: -91.635
where: short stacking energy: -49.664
Base-Backbone interact. energy: 0.500
local terms energy: -70.174698
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -13.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -110.865338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.865338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.865338 (E_RNA)
where:
Base-Base interactions energy: -55.597
where: short stacking energy: -33.787
Base-Backbone interact. energy: -0.139
local terms energy: -55.129574
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -4.282
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: 7, replica: 10
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -89.758953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.758953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.758953 (E_RNA)
where:
Base-Base interactions energy: -42.287
where: short stacking energy: -15.542
Base-Backbone interact. energy: -0.690
local terms energy: -46.781552
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -2.022
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: 8, replica: 3
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -100.104223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.104223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.104223 (E_RNA)
where:
Base-Base interactions energy: -45.000
where: short stacking energy: -29.631
Base-Backbone interact. energy: -0.759
local terms energy: -54.345908
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -5.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -77.744426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.744426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.744426 (E_RNA)
where:
Base-Base interactions energy: -31.712
where: short stacking energy: -27.186
Base-Backbone interact. energy: -0.128
local terms energy: -45.904506
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -7.425
flat angles P-C4'-P energy: -5.119
tors. eta vs tors. theta energy: -6.213
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: 5
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -76.907464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.907464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.907464 (E_RNA)
where:
Base-Base interactions energy: -33.214
where: short stacking energy: -32.553
Base-Backbone interact. energy: -0.140
local terms energy: -43.553839
where:
bonds (distance) C4'-P energy: -5.993
bonds (distance) P-C4' energy: -8.300
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -5.630
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: 9
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -200.620386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.620386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.620386 (E_RNA)
where:
Base-Base interactions energy: -124.540
where: short stacking energy: -67.347
Base-Backbone interact. energy: -0.351
local terms energy: -75.729236
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -10.048
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -13.414
tors. eta vs tors. theta energy: -21.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -193.051557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.051557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.051557 (E_RNA)
where:
Base-Base interactions energy: -118.486
where: short stacking energy: -59.097
Base-Backbone interact. energy: -0.119
local terms energy: -74.446666
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -20.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -192.170359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.170359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.170359 (E_RNA)
where:
Base-Base interactions energy: -116.900
where: short stacking energy: -65.515
Base-Backbone interact. energy: -0.000
local terms energy: -75.270507
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -21.050
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: 8
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -172.061180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.061180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.061180 (E_RNA)
where:
Base-Base interactions energy: -109.460
where: short stacking energy: -56.644
Base-Backbone interact. energy: -0.256
local terms energy: -62.344938
where:
bonds (distance) C4'-P energy: -8.088
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -16.505
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: 1
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -156.698889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.698889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.698889 (E_RNA)
where:
Base-Base interactions energy: -100.512
where: short stacking energy: -37.119
Base-Backbone interact. energy: -0.495
local terms energy: -55.692140
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -5.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -112.541584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.541584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.541584 (E_RNA)
where:
Base-Base interactions energy: -61.039
where: short stacking energy: -23.215
Base-Backbone interact. energy: -0.190
local terms energy: -51.311806
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -0.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -95.656892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.656892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.656892 (E_RNA)
where:
Base-Base interactions energy: -43.260
where: short stacking energy: -38.543
Base-Backbone interact. energy: -0.519
local terms energy: -51.877679
where:
bonds (distance) C4'-P energy: -10.510
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -9.540
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: 8, replica: 3
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -95.077664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.077664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.077664 (E_RNA)
where:
Base-Base interactions energy: -44.164
where: short stacking energy: -31.821
Base-Backbone interact. energy: 0.776
local terms energy: -51.689237
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -5.957
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: 7
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -81.846574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.846574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.846574 (E_RNA)
where:
Base-Base interactions energy: -28.647
where: short stacking energy: -28.647
Base-Backbone interact. energy: -0.088
local terms energy: -53.111059
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -0.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -77.906347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.906347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.906347 (E_RNA)
where:
Base-Base interactions energy: -31.412
where: short stacking energy: -30.946
Base-Backbone interact. energy: -0.154
local terms energy: -46.340246
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -10.640
flat angles C4'-P-C4' energy: -7.364
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -1.319
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: 4
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -197.074686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.074686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.074686 (E_RNA)
where:
Base-Base interactions energy: -123.322
where: short stacking energy: -67.190
Base-Backbone interact. energy: -0.143
local terms energy: -73.609725
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -17.836
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -19.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -192.105920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.105920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.105920 (E_RNA)
where:
Base-Base interactions energy: -115.750
where: short stacking energy: -65.773
Base-Backbone interact. energy: -0.067
local terms energy: -76.289787
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -18.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -165.225352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.225352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.225352 (E_RNA)
where:
Base-Base interactions energy: -100.038
where: short stacking energy: -47.681
Base-Backbone interact. energy: -0.119
local terms energy: -65.067858
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -10.629
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: 4, replica: 2
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -172.315172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.315172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.315172 (E_RNA)
where:
Base-Base interactions energy: -105.906
where: short stacking energy: -62.044
Base-Backbone interact. energy: -0.194
local terms energy: -66.215301
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -9.433
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -18.083
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: 10
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -118.925650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.925650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.925650 (E_RNA)
where:
Base-Base interactions energy: -64.037
where: short stacking energy: -33.834
Base-Backbone interact. energy: 0.155
local terms energy: -55.043892
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -6.663
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: 1
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -143.794365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.794365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.794365 (E_RNA)
where:
Base-Base interactions energy: -88.596
where: short stacking energy: -44.704
Base-Backbone interact. energy: -0.286
local terms energy: -54.912926
where:
bonds (distance) C4'-P energy: -9.404
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -5.061
tors. eta vs tors. theta energy: -9.542
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: 3
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -111.918801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.918801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.918801 (E_RNA)
where:
Base-Base interactions energy: -72.004
where: short stacking energy: -29.019
Base-Backbone interact. energy: 1.593
local terms energy: -41.507468
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -6.009
tors. eta vs tors. theta energy: 1.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -84.995168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.995168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.995168 (E_RNA)
where:
Base-Base interactions energy: -37.407
where: short stacking energy: -32.605
Base-Backbone interact. energy: -0.344
local terms energy: -47.244224
where:
bonds (distance) C4'-P energy: -10.124
bonds (distance) P-C4' energy: -10.833
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -3.231
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: 5
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -87.866469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.866469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.866469 (E_RNA)
where:
Base-Base interactions energy: -32.780
where: short stacking energy: -28.252
Base-Backbone interact. energy: -0.267
local terms energy: -54.819119
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -11.069
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -3.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -77.410518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.410518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.410518 (E_RNA)
where:
Base-Base interactions energy: -28.386
where: short stacking energy: -28.386
Base-Backbone interact. energy: -0.087
local terms energy: -48.936861
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -10.847
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -3.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -200.218528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.218528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.218528 (E_RNA)
where:
Base-Base interactions energy: -123.887
where: short stacking energy: -64.385
Base-Backbone interact. energy: -0.241
local terms energy: -76.090577
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -22.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -195.097410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.097410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.097410 (E_RNA)
where:
Base-Base interactions energy: -117.121
where: short stacking energy: -69.102
Base-Backbone interact. energy: -0.634
local terms energy: -77.342539
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -20.498
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: 9
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -186.867896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.867896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.867896 (E_RNA)
where:
Base-Base interactions energy: -112.200
where: short stacking energy: -60.259
Base-Backbone interact. energy: 4.174
local terms energy: -78.841765
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -13.352
tors. eta vs tors. theta energy: -14.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -179.843197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.843197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.843197 (E_RNA)
where:
Base-Base interactions energy: -104.752
where: short stacking energy: -57.948
Base-Backbone interact. energy: -0.096
local terms energy: -74.995446
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -17.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -117.485577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.485577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.485577 (E_RNA)
where:
Base-Base interactions energy: -57.965
where: short stacking energy: -59.034
Base-Backbone interact. energy: -0.000
local terms energy: -59.520633
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -12.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -159.293662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.293662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.293662 (E_RNA)
where:
Base-Base interactions energy: -96.819
where: short stacking energy: -45.377
Base-Backbone interact. energy: -1.172
local terms energy: -61.302283
where:
bonds (distance) C4'-P energy: -9.623
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -7.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -94.588349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.588349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.588349 (E_RNA)
where:
Base-Base interactions energy: -37.277
where: short stacking energy: -33.177
Base-Backbone interact. energy: -0.223
local terms energy: -57.088246
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -5.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -83.372555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.372555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.372555 (E_RNA)
where:
Base-Base interactions energy: -33.045
where: short stacking energy: -24.388
Base-Backbone interact. energy: -0.089
local terms energy: -50.238995
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -11.650
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -0.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -71.209701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.209701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.209701 (E_RNA)
where:
Base-Base interactions energy: -20.030
where: short stacking energy: -19.584
Base-Backbone interact. energy: -0.325
local terms energy: -50.854023
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -10.918
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: -4.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -91.652268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.652268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.652268 (E_RNA)
where:
Base-Base interactions energy: -32.787
where: short stacking energy: -30.967
Base-Backbone interact. energy: -0.057
local terms energy: -58.809084
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -7.412
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: 8
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -202.966568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.966568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.966568 (E_RNA)
where:
Base-Base interactions energy: -127.393
where: short stacking energy: -64.776
Base-Backbone interact. energy: -0.011
local terms energy: -75.561981
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -19.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -203.973728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.973728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.973728 (E_RNA)
where:
Base-Base interactions energy: -125.158
where: short stacking energy: -74.153
Base-Backbone interact. energy: -0.013
local terms energy: -78.803247
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -20.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -180.982169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.982169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.982169 (E_RNA)
where:
Base-Base interactions energy: -107.404
where: short stacking energy: -58.413
Base-Backbone interact. energy: -0.112
local terms energy: -73.466679
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -19.048
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -17.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -183.051451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.051451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.051451 (E_RNA)
where:
Base-Base interactions energy: -116.840
where: short stacking energy: -52.087
Base-Backbone interact. energy: -0.221
local terms energy: -65.990790
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -12.111
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -12.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -159.248955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.248955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.248955 (E_RNA)
where:
Base-Base interactions energy: -97.133
where: short stacking energy: -42.324
Base-Backbone interact. energy: -0.137
local terms energy: -61.979391
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -2.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -114.625781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.625781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.625781 (E_RNA)
where:
Base-Base interactions energy: -65.163
where: short stacking energy: -35.253
Base-Backbone interact. energy: -0.062
local terms energy: -49.400660
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -4.682
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: 66
Temperature: 1.200000
Total energy: -86.219495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.219495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.219495 (E_RNA)
where:
Base-Base interactions energy: -29.076
where: short stacking energy: -27.706
Base-Backbone interact. energy: -0.070
local terms energy: -57.073268
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -6.681
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -8.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -97.463342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.463342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.463342 (E_RNA)
where:
Base-Base interactions energy: -41.733
where: short stacking energy: -32.884
Base-Backbone interact. energy: 0.370
local terms energy: -56.100457
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -9.476
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -8.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -84.332851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.332851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.332851 (E_RNA)
where:
Base-Base interactions energy: -30.562
where: short stacking energy: -27.487
Base-Backbone interact. energy: -0.353
local terms energy: -53.417209
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -0.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -84.487422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.487422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.487422 (E_RNA)
where:
Base-Base interactions energy: -27.335
where: short stacking energy: -27.335
Base-Backbone interact. energy: -0.252
local terms energy: -56.900440
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -10.151
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -6.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -204.932597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.932597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.932597 (E_RNA)
where:
Base-Base interactions energy: -123.793
where: short stacking energy: -59.380
Base-Backbone interact. energy: -0.333
local terms energy: -80.806410
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -15.327
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -20.822
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: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -197.334024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.334024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.334024 (E_RNA)
where:
Base-Base interactions energy: -122.203
where: short stacking energy: -61.392
Base-Backbone interact. energy: -0.007
local terms energy: -75.123744
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -13.632
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -18.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -181.356794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.356794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.356794 (E_RNA)
where:
Base-Base interactions energy: -109.470
where: short stacking energy: -65.588
Base-Backbone interact. energy: -0.031
local terms energy: -71.855603
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -16.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -174.874805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.874805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.874805 (E_RNA)
where:
Base-Base interactions energy: -106.269
where: short stacking energy: -55.511
Base-Backbone interact. energy: -0.339
local terms energy: -68.266938
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -12.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -167.423881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.423881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.423881 (E_RNA)
where:
Base-Base interactions energy: -106.452
where: short stacking energy: -45.633
Base-Backbone interact. energy: -1.111
local terms energy: -59.861266
where:
bonds (distance) C4'-P energy: -9.623
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -10.589
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -13.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -125.227324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.227324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.227324 (E_RNA)
where:
Base-Base interactions energy: -77.870
where: short stacking energy: -41.073
Base-Backbone interact. energy: -0.092
local terms energy: -47.265194
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -9.285
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -1.350
tors. eta vs tors. theta energy: -7.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -102.513295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.513295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.513295 (E_RNA)
where:
Base-Base interactions energy: -44.681
where: short stacking energy: -40.422
Base-Backbone interact. energy: -0.193
local terms energy: -57.639036
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -8.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -81.574766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.574766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.574766 (E_RNA)
where:
Base-Base interactions energy: -32.997
where: short stacking energy: -32.997
Base-Backbone interact. energy: -0.882
local terms energy: -47.694796
where:
bonds (distance) C4'-P energy: -7.052
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -4.130
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: 3
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -79.921241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.921241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.921241 (E_RNA)
where:
Base-Base interactions energy: -24.034
where: short stacking energy: -24.034
Base-Backbone interact. energy: -0.073
local terms energy: -55.814351
where:
bonds (distance) C4'-P energy: -14.097
bonds (distance) P-C4' energy: -14.938
flat angles C4'-P-C4' energy: -7.663
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -7.589
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: 67
Temperature: 1.350000
Total energy: -72.679317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.679317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.679317 (E_RNA)
where:
Base-Base interactions energy: -26.801
where: short stacking energy: -18.849
Base-Backbone interact. energy: -0.164
local terms energy: -45.714274
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -8.726
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: 0.532
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: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -200.165437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.165437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.165437 (E_RNA)
where:
Base-Base interactions energy: -124.350
where: short stacking energy: -66.794
Base-Backbone interact. energy: -0.007
local terms energy: -75.808648
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -20.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -187.899542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.899542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.899542 (E_RNA)
where:
Base-Base interactions energy: -114.262
where: short stacking energy: -62.345
Base-Backbone interact. energy: -0.023
local terms energy: -73.615355
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -18.102
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: 9
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -177.186396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.186396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.186396 (E_RNA)
where:
Base-Base interactions energy: -102.121
where: short stacking energy: -49.359
Base-Backbone interact. energy: -0.000
local terms energy: -75.064790
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -16.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -172.374914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.374914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.374914 (E_RNA)
where:
Base-Base interactions energy: -108.758
where: short stacking energy: -49.045
Base-Backbone interact. energy: -0.046
local terms energy: -63.570303
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -14.144
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: 5, replica: 10
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -148.741362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.741362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.741362 (E_RNA)
where:
Base-Base interactions energy: -88.866
where: short stacking energy: -48.066
Base-Backbone interact. energy: -0.202
local terms energy: -59.673589
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -8.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -166.083797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.083797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.083797 (E_RNA)
where:
Base-Base interactions energy: -105.289
where: short stacking energy: -40.304
Base-Backbone interact. energy: -0.267
local terms energy: -60.528018
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -6.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -92.588906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.588906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.588906 (E_RNA)
where:
Base-Base interactions energy: -44.353
where: short stacking energy: -29.066
Base-Backbone interact. energy: -0.016
local terms energy: -48.220036
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -10.216
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -0.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -86.815272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.815272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.815272 (E_RNA)
where:
Base-Base interactions energy: -34.801
where: short stacking energy: -34.801
Base-Backbone interact. energy: -0.147
local terms energy: -51.867468
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -10.852
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: 9, replica: 6
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -73.950814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.950814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.950814 (E_RNA)
where:
Base-Base interactions energy: -24.723
where: short stacking energy: -24.723
Base-Backbone interact. energy: -0.184
local terms energy: -49.043040
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -9.472
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: 3
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -80.184302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.184302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.184302 (E_RNA)
where:
Base-Base interactions energy: -26.362
where: short stacking energy: -26.362
Base-Backbone interact. energy: 0.043
local terms energy: -53.865856
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: -3.997
tors. eta vs tors. theta energy: -8.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -180.897823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.897823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.897823 (E_RNA)
where:
Base-Base interactions energy: -112.593
where: short stacking energy: -56.193
Base-Backbone interact. energy: -0.070
local terms energy: -68.234907
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -14.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -187.355578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.355578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.355578 (E_RNA)
where:
Base-Base interactions energy: -127.990
where: short stacking energy: -57.194
Base-Backbone interact. energy: -0.324
local terms energy: -59.041436
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -10.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -185.358051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.358051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.358051 (E_RNA)
where:
Base-Base interactions energy: -108.881
where: short stacking energy: -53.020
Base-Backbone interact. energy: -0.390
local terms energy: -76.086626
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -18.581
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -15.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -136.068837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.068837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.068837 (E_RNA)
where:
Base-Base interactions energy: -78.932
where: short stacking energy: -42.208
Base-Backbone interact. energy: -0.232
local terms energy: -56.904626
where:
bonds (distance) C4'-P energy: -9.401
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -6.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -166.646303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.646303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.646303 (E_RNA)
where:
Base-Base interactions energy: -102.086
where: short stacking energy: -53.316
Base-Backbone interact. energy: -0.110
local terms energy: -64.450803
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -10.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -155.489982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.489982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.489982 (E_RNA)
where:
Base-Base interactions energy: -93.980
where: short stacking energy: -53.365
Base-Backbone interact. energy: -0.266
local terms energy: -61.243844
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -12.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -111.617003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.617003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.617003 (E_RNA)
where:
Base-Base interactions energy: -54.228
where: short stacking energy: -34.212
Base-Backbone interact. energy: -0.583
local terms energy: -56.806169
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -85.767459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.767459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.767459 (E_RNA)
where:
Base-Base interactions energy: -30.057
where: short stacking energy: -18.100
Base-Backbone interact. energy: -0.248
local terms energy: -55.462952
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -10.023
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -2.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -79.133765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.133765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.133765 (E_RNA)
where:
Base-Base interactions energy: -34.874
where: short stacking energy: -34.874
Base-Backbone interact. energy: -0.101
local terms energy: -44.159084
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -1.434
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: 3
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -84.518779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.518779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.518779 (E_RNA)
where:
Base-Base interactions energy: -30.078
where: short stacking energy: -25.718
Base-Backbone interact. energy: -0.029
local terms energy: -54.410839
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -3.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -185.115164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.115164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.115164 (E_RNA)
where:
Base-Base interactions energy: -108.461
where: short stacking energy: -60.218
Base-Backbone interact. energy: -0.087
local terms energy: -76.567946
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -16.188
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: 2, replica: 4
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -164.269436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.269436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.269436 (E_RNA)
where:
Base-Base interactions energy: -98.076
where: short stacking energy: -52.904
Base-Backbone interact. energy: -0.315
local terms energy: -65.878547
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -14.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -163.280520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.280520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.280520 (E_RNA)
where:
Base-Base interactions energy: -99.974
where: short stacking energy: -46.224
Base-Backbone interact. energy: -0.053
local terms energy: -63.253624
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -7.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -177.152025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.152025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.152025 (E_RNA)
where:
Base-Base interactions energy: -104.506
where: short stacking energy: -55.144
Base-Backbone interact. energy: -0.122
local terms energy: -72.523506
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: -16.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -153.020708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.020708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.020708 (E_RNA)
where:
Base-Base interactions energy: -85.893
where: short stacking energy: -50.713
Base-Backbone interact. energy: -0.093
local terms energy: -67.034835
where:
bonds (distance) C4'-P energy: -15.768
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -6.435
tors. eta vs tors. theta energy: -13.178
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: 6, replica: 2
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -144.543879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.543879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.543879 (E_RNA)
where:
Base-Base interactions energy: -90.241
where: short stacking energy: -40.705
Base-Backbone interact. energy: 1.227
local terms energy: -55.529684
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -6.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -102.390269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.390269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.390269 (E_RNA)
where:
Base-Base interactions energy: -44.668
where: short stacking energy: -39.781
Base-Backbone interact. energy: -0.194
local terms energy: -57.528587
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -6.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -82.571695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.571695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.571695 (E_RNA)
where:
Base-Base interactions energy: -34.253
where: short stacking energy: -34.253
Base-Backbone interact. energy: -0.120
local terms energy: -48.198411
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -15.161
flat angles C4'-P-C4' energy: -10.865
flat angles P-C4'-P energy: -4.054
tors. eta vs tors. theta energy: -5.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -83.219430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.219430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.219430 (E_RNA)
where:
Base-Base interactions energy: -25.726
where: short stacking energy: -21.786
Base-Backbone interact. energy: -0.196
local terms energy: -57.296907
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -10.260
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -6.448
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: 3
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -67.911227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.911227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.911227 (E_RNA)
where:
Base-Base interactions energy: -24.118
where: short stacking energy: -19.587
Base-Backbone interact. energy: -0.214
local terms energy: -43.579108
where:
bonds (distance) C4'-P energy: -9.510
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -5.788
tors. eta vs tors. theta energy: -0.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -191.501510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.501510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.501510 (E_RNA)
where:
Base-Base interactions energy: -123.063
where: short stacking energy: -63.898
Base-Backbone interact. energy: -0.094
local terms energy: -68.344487
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -17.618
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: 4
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -181.356658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.356658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.356658 (E_RNA)
where:
Base-Base interactions energy: -110.080
where: short stacking energy: -55.723
Base-Backbone interact. energy: 0.015
local terms energy: -71.291334
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -13.909
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: 10
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -176.656279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.656279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.656279 (E_RNA)
where:
Base-Base interactions energy: -105.799
where: short stacking energy: -48.147
Base-Backbone interact. energy: -0.332
local terms energy: -70.524907
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -11.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -181.941638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.941638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.941638 (E_RNA)
where:
Base-Base interactions energy: -108.782
where: short stacking energy: -59.893
Base-Backbone interact. energy: -0.103
local terms energy: -73.056025
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -19.340
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: 1
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -168.917821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.917821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.917821 (E_RNA)
where:
Base-Base interactions energy: -102.142
where: short stacking energy: -59.565
Base-Backbone interact. energy: -0.235
local terms energy: -66.540280
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -13.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -123.079298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.079298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.079298 (E_RNA)
where:
Base-Base interactions energy: -63.845
where: short stacking energy: -37.307
Base-Backbone interact. energy: -0.485
local terms energy: -58.749865
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -17.665
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -6.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -86.442160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.442160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.442160 (E_RNA)
where:
Base-Base interactions energy: -31.514
where: short stacking energy: -27.293
Base-Backbone interact. energy: -0.135
local terms energy: -54.793357
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -3.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -79.754085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.754085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.754085 (E_RNA)
where:
Base-Base interactions energy: -23.717
where: short stacking energy: -23.717
Base-Backbone interact. energy: -0.107
local terms energy: -55.930035
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -1.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -88.765066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.765066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.765066 (E_RNA)
where:
Base-Base interactions energy: -36.193
where: short stacking energy: -27.823
Base-Backbone interact. energy: -0.112
local terms energy: -52.459281
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -8.791
flat angles P-C4'-P energy: -7.116
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: 10, replica: 3
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -82.992782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.992782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.992782 (E_RNA)
where:
Base-Base interactions energy: -36.926
where: short stacking energy: -30.258
Base-Backbone interact. energy: -0.283
local terms energy: -45.784388
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -10.532
flat angles C4'-P-C4' energy: -10.627
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -5.961
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: 1, replica: 8
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -213.544533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.544533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.544533 (E_RNA)
where:
Base-Base interactions energy: -137.759
where: short stacking energy: -67.413
Base-Backbone interact. energy: -0.068
local terms energy: -75.717333
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -19.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -190.815275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.815275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.815275 (E_RNA)
where:
Base-Base interactions energy: -122.870
where: short stacking energy: -63.037
Base-Backbone interact. energy: -0.159
local terms energy: -67.785638
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -6.196
tors. eta vs tors. theta energy: -15.228
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: 9
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -193.646917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.646917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.646917 (E_RNA)
where:
Base-Base interactions energy: -117.034
where: short stacking energy: -67.063
Base-Backbone interact. energy: 0.019
local terms energy: -76.631979
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -19.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -151.627238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.627238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.627238 (E_RNA)
where:
Base-Base interactions energy: -87.516
where: short stacking energy: -44.425
Base-Backbone interact. energy: -0.245
local terms energy: -63.865745
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -7.505
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: 1
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -171.349460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.349460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.349460 (E_RNA)
where:
Base-Base interactions energy: -105.990
where: short stacking energy: -51.311
Base-Backbone interact. energy: 2.182
local terms energy: -67.540965
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -9.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -114.333861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.333861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.333861 (E_RNA)
where:
Base-Base interactions energy: -69.135
where: short stacking energy: -38.087
Base-Backbone interact. energy: -0.833
local terms energy: -44.366344
where:
bonds (distance) C4'-P energy: -5.841
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -9.470
flat angles P-C4'-P energy: -8.076
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: 7, replica: 6
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -104.778985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.778985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.778985 (E_RNA)
where:
Base-Base interactions energy: -49.533
where: short stacking energy: -34.372
Base-Backbone interact. energy: -0.168
local terms energy: -55.078841
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -4.207
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: 8, replica: 7
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -87.549900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.549900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.549900 (E_RNA)
where:
Base-Base interactions energy: -39.670
where: short stacking energy: -37.710
Base-Backbone interact. energy: -0.168
local terms energy: -47.711894
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -10.385
flat angles P-C4'-P energy: -4.629
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: 5
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -82.465724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.465724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.465724 (E_RNA)
where:
Base-Base interactions energy: -34.410
where: short stacking energy: -34.038
Base-Backbone interact. energy: -1.490
local terms energy: -46.565068
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -9.445
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -3.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -95.676893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.676893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.676893 (E_RNA)
where:
Base-Base interactions energy: -48.937
where: short stacking energy: -28.024
Base-Backbone interact. energy: -0.461
local terms energy: -46.278575
where:
bonds (distance) C4'-P energy: -7.901
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -1.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -214.270381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.270381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.270381 (E_RNA)
where:
Base-Base interactions energy: -141.290
where: short stacking energy: -67.672
Base-Backbone interact. energy: -0.164
local terms energy: -72.816727
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -20.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -200.890622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.890622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.890622 (E_RNA)
where:
Base-Base interactions energy: -120.700
where: short stacking energy: -56.603
Base-Backbone interact. energy: -0.103
local terms energy: -80.087987
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -15.970
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: 4
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -182.415788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.415788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.415788 (E_RNA)
where:
Base-Base interactions energy: -113.923
where: short stacking energy: -58.701
Base-Backbone interact. energy: -0.635
local terms energy: -67.858604
where:
bonds (distance) C4'-P energy: -11.873
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -14.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -172.193216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.193216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.193216 (E_RNA)
where:
Base-Base interactions energy: -102.537
where: short stacking energy: -58.478
Base-Backbone interact. energy: 0.605
local terms energy: -70.261537
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -11.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -148.832815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.832815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.832815 (E_RNA)
where:
Base-Base interactions energy: -89.411
where: short stacking energy: -45.995
Base-Backbone interact. energy: -0.028
local terms energy: -59.393912
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -12.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -156.616430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.616430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.616430 (E_RNA)
where:
Base-Base interactions energy: -98.062
where: short stacking energy: -53.808
Base-Backbone interact. energy: -0.175
local terms energy: -58.379062
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -6.240
tors. eta vs tors. theta energy: -15.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -95.626612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.626612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.626612 (E_RNA)
where:
Base-Base interactions energy: -41.806
where: short stacking energy: -29.386
Base-Backbone interact. energy: -0.149
local terms energy: -53.671963
where:
bonds (distance) C4'-P energy: -10.567
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -7.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -83.636155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.636155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.636155 (E_RNA)
where:
Base-Base interactions energy: -26.112
where: short stacking energy: -24.769
Base-Backbone interact. energy: -0.025
local terms energy: -57.499619
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -5.426
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: 7
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -83.319333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.319333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.319333 (E_RNA)
where:
Base-Base interactions energy: -35.029
where: short stacking energy: -25.115
Base-Backbone interact. energy: -0.095
local terms energy: -48.195443
where:
bonds (distance) C4'-P energy: -11.252
bonds (distance) P-C4' energy: -11.295
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -4.241
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: 3
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -71.873004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.873004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.873004 (E_RNA)
where:
Base-Base interactions energy: -36.958
where: short stacking energy: -19.214
Base-Backbone interact. energy: -0.443
local terms energy: -34.472013
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -10.067
flat angles C4'-P-C4' energy: -7.953
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: 4.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -201.996225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.996225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.996225 (E_RNA)
where:
Base-Base interactions energy: -123.966
where: short stacking energy: -68.432
Base-Backbone interact. energy: -0.610
local terms energy: -77.420576
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -13.252
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -19.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -192.104154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.104154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.104154 (E_RNA)
where:
Base-Base interactions energy: -118.298
where: short stacking energy: -65.175
Base-Backbone interact. energy: -0.018
local terms energy: -73.788128
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -19.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -183.803293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.803293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.803293 (E_RNA)
where:
Base-Base interactions energy: -110.965
where: short stacking energy: -60.526
Base-Backbone interact. energy: -0.023
local terms energy: -72.814668
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -18.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -174.114326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.114326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.114326 (E_RNA)
where:
Base-Base interactions energy: -106.029
where: short stacking energy: -55.991
Base-Backbone interact. energy: -0.003
local terms energy: -68.081545
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -5.488
tors. eta vs tors. theta energy: -16.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -168.678425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.678425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.678425 (E_RNA)
where:
Base-Base interactions energy: -101.639
where: short stacking energy: -48.813
Base-Backbone interact. energy: -0.053
local terms energy: -66.985988
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -13.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -148.167646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.167646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.167646 (E_RNA)
where:
Base-Base interactions energy: -91.919
where: short stacking energy: -39.916
Base-Backbone interact. energy: -0.557
local terms energy: -55.691857
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -3.048
tors. eta vs tors. theta energy: -8.858
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: 7, replica: 5
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -88.495644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.495644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.495644 (E_RNA)
where:
Base-Base interactions energy: -35.369
where: short stacking energy: -14.255
Base-Backbone interact. energy: -1.091
local terms energy: -52.035496
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -11.043
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -2.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -88.323810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.323810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.323810 (E_RNA)
where:
Base-Base interactions energy: -30.757
where: short stacking energy: -30.757
Base-Backbone interact. energy: -0.325
local terms energy: -57.241382
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: -9.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -88.588948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.588948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.588948 (E_RNA)
where:
Base-Base interactions energy: -53.936
where: short stacking energy: -27.941
Base-Backbone interact. energy: -0.396
local terms energy: -34.257698
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -11.664
flat angles C4'-P-C4' energy: -1.750
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -0.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -72.032662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.032662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.032662 (E_RNA)
where:
Base-Base interactions energy: -23.096
where: short stacking energy: -22.516
Base-Backbone interact. energy: 0.106
local terms energy: -49.042649
where:
bonds (distance) C4'-P energy: -9.269
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -2.232
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: 1, replica: 8
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -201.929823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.929823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.929823 (E_RNA)
where:
Base-Base interactions energy: -124.239
where: short stacking energy: -67.647
Base-Backbone interact. energy: -0.501
local terms energy: -77.190083
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -19.414
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: 2, replica: 1
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -199.695897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.695897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.695897 (E_RNA)
where:
Base-Base interactions energy: -128.855
where: short stacking energy: -73.759
Base-Backbone interact. energy: -0.006
local terms energy: -70.834526
where:
bonds (distance) C4'-P energy: -10.437
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -18.193
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -17.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -193.810859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.810859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.810859 (E_RNA)
where:
Base-Base interactions energy: -126.930
where: short stacking energy: -60.358
Base-Backbone interact. energy: -0.044
local terms energy: -66.837480
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -6.799
tors. eta vs tors. theta energy: -19.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -174.817140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.817140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.817140 (E_RNA)
where:
Base-Base interactions energy: -103.116
where: short stacking energy: -57.164
Base-Backbone interact. energy: -0.001
local terms energy: -71.699725
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -19.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -186.900017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.900017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.900017 (E_RNA)
where:
Base-Base interactions energy: -113.828
where: short stacking energy: -53.942
Base-Backbone interact. energy: -0.327
local terms energy: -72.745714
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -16.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -131.379428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.379428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.379428 (E_RNA)
where:
Base-Base interactions energy: -71.574
where: short stacking energy: -28.936
Base-Backbone interact. energy: -1.237
local terms energy: -58.568678
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -5.125
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: 7, replica: 5
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -92.314419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.314419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.314419 (E_RNA)
where:
Base-Base interactions energy: -30.412
where: short stacking energy: -28.665
Base-Backbone interact. energy: -0.254
local terms energy: -61.647621
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -11.351
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -4.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -89.180869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.180869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.180869 (E_RNA)
where:
Base-Base interactions energy: -32.660
where: short stacking energy: -22.338
Base-Backbone interact. energy: -0.590
local terms energy: -55.930822
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -0.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -103.355114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.355114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.355114 (E_RNA)
where:
Base-Base interactions energy: -58.558
where: short stacking energy: -26.896
Base-Backbone interact. energy: -0.326
local terms energy: -44.471116
where:
bonds (distance) C4'-P energy: -9.891
bonds (distance) P-C4' energy: -9.792
flat angles C4'-P-C4' energy: -9.623
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -2.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -85.475132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.475132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.475132 (E_RNA)
where:
Base-Base interactions energy: -27.160
where: short stacking energy: -27.160
Base-Backbone interact. energy: -0.003
local terms energy: -58.311571
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -5.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -213.920108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.920108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.920108 (E_RNA)
where:
Base-Base interactions energy: -136.732
where: short stacking energy: -62.712
Base-Backbone interact. energy: 0.864
local terms energy: -78.052800
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -16.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -190.072332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.072332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.072332 (E_RNA)
where:
Base-Base interactions energy: -116.541
where: short stacking energy: -70.084
Base-Backbone interact. energy: -0.793
local terms energy: -72.738707
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -18.954
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: 9
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -183.408540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.408540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.408540 (E_RNA)
where:
Base-Base interactions energy: -115.730
where: short stacking energy: -54.744
Base-Backbone interact. energy: -0.235
local terms energy: -67.442996
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -10.959
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: 2
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -165.104744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.104744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.104744 (E_RNA)
where:
Base-Base interactions energy: -93.056
where: short stacking energy: -53.370
Base-Backbone interact. energy: -0.045
local terms energy: -72.003314
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -16.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -160.689763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.689763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.689763 (E_RNA)
where:
Base-Base interactions energy: -96.391
where: short stacking energy: -49.737
Base-Backbone interact. energy: -0.784
local terms energy: -63.514510
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -9.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -120.233769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.233769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.233769 (E_RNA)
where:
Base-Base interactions energy: -59.603
where: short stacking energy: -35.716
Base-Backbone interact. energy: -0.976
local terms energy: -59.654894
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -10.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -96.481723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.481723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.481723 (E_RNA)
where:
Base-Base interactions energy: -46.827
where: short stacking energy: -25.083
Base-Backbone interact. energy: -0.138
local terms energy: -49.516647
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -10.241
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -1.470
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: 5
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -81.567793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.567793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.567793 (E_RNA)
where:
Base-Base interactions energy: -35.049
where: short stacking energy: -26.956
Base-Backbone interact. energy: -0.569
local terms energy: -45.949734
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -9.731
flat angles C4'-P-C4' energy: -5.612
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -5.982
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: 6
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -139.413218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.413218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.413218 (E_RNA)
where:
Base-Base interactions energy: -79.491
where: short stacking energy: -35.458
Base-Backbone interact. energy: -0.111
local terms energy: -59.811307
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -9.715
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: 7
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -82.798289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.798289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.798289 (E_RNA)
where:
Base-Base interactions energy: -32.058
where: short stacking energy: -30.094
Base-Backbone interact. energy: -0.262
local terms energy: -50.478385
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -3.612
tors. eta vs tors. theta energy: -3.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -213.375312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.375312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.375312 (E_RNA)
where:
Base-Base interactions energy: -135.945
where: short stacking energy: -66.970
Base-Backbone interact. energy: -0.158
local terms energy: -77.271691
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -19.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -203.090282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.090282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.090282 (E_RNA)
where:
Base-Base interactions energy: -128.733
where: short stacking energy: -68.807
Base-Backbone interact. energy: -0.122
local terms energy: -74.235510
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -12.866
tors. eta vs tors. theta energy: -18.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -190.133833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.133833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.133833 (E_RNA)
where:
Base-Base interactions energy: -120.360
where: short stacking energy: -64.840
Base-Backbone interact. energy: -0.065
local terms energy: -69.709152
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -17.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -168.625299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.625299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.625299 (E_RNA)
where:
Base-Base interactions energy: -104.718
where: short stacking energy: -50.551
Base-Backbone interact. energy: -0.102
local terms energy: -63.805396
where:
bonds (distance) C4'-P energy: -8.103
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -14.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -147.549515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.549515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.549515 (E_RNA)
where:
Base-Base interactions energy: -82.057
where: short stacking energy: -48.600
Base-Backbone interact. energy: -0.015
local terms energy: -65.478404
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -5.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -122.220944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.220944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.220944 (E_RNA)
where:
Base-Base interactions energy: -70.111
where: short stacking energy: -38.367
Base-Backbone interact. energy: -0.248
local terms energy: -51.861769
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -11.050
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -5.776
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: 7, replica: 10
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -125.959865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.959865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.959865 (E_RNA)
where:
Base-Base interactions energy: -73.960
where: short stacking energy: -46.093
Base-Backbone interact. energy: -0.425
local terms energy: -51.574905
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -8.790
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -8.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -84.867404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.867404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.867404 (E_RNA)
where:
Base-Base interactions energy: -34.066
where: short stacking energy: -18.305
Base-Backbone interact. energy: -0.174
local terms energy: -50.627453
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: 0.230
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: 5
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -71.860771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.860771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.860771 (E_RNA)
where:
Base-Base interactions energy: -20.693
where: short stacking energy: -20.693
Base-Backbone interact. energy: -0.110
local terms energy: -51.057040
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -0.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -80.220511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.220511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.220511 (E_RNA)
where:
Base-Base interactions energy: -27.735
where: short stacking energy: -23.865
Base-Backbone interact. energy: 1.347
local terms energy: -53.832783
where:
bonds (distance) C4'-P energy: -7.502
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -6.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -212.602826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.602826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.602826 (E_RNA)
where:
Base-Base interactions energy: -137.149
where: short stacking energy: -63.111
Base-Backbone interact. energy: -0.031
local terms energy: -75.422060
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -15.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -199.450111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.450111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.450111 (E_RNA)
where:
Base-Base interactions energy: -118.852
where: short stacking energy: -66.522
Base-Backbone interact. energy: -0.067
local terms energy: -80.530966
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -23.738
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: 2
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -181.910244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.910244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.910244 (E_RNA)
where:
Base-Base interactions energy: -118.150
where: short stacking energy: -52.642
Base-Backbone interact. energy: -0.001
local terms energy: -63.759383
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -3.836
tors. eta vs tors. theta energy: -17.927
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: 9
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -190.343015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.343015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.343015 (E_RNA)
where:
Base-Base interactions energy: -119.320
where: short stacking energy: -56.291
Base-Backbone interact. energy: -0.007
local terms energy: -71.015522
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -17.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -159.665354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.665354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.665354 (E_RNA)
where:
Base-Base interactions energy: -96.888
where: short stacking energy: -49.963
Base-Backbone interact. energy: -0.031
local terms energy: -62.745908
where:
bonds (distance) C4'-P energy: -8.655
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -11.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -147.198674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.198674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.198674 (E_RNA)
where:
Base-Base interactions energy: -87.911
where: short stacking energy: -38.206
Base-Backbone interact. energy: -0.243
local terms energy: -59.044731
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -8.996
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -11.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -155.648331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.648331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.648331 (E_RNA)
where:
Base-Base interactions energy: -94.740
where: short stacking energy: -52.652
Base-Backbone interact. energy: -0.185
local terms energy: -60.723169
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -10.025
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -11.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -79.367938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.367938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.367938 (E_RNA)
where:
Base-Base interactions energy: -32.568
where: short stacking energy: -32.568
Base-Backbone interact. energy: 0.760
local terms energy: -47.560109
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -12.896
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -6.116
tors. eta vs tors. theta energy: -0.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -81.287272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.287272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.287272 (E_RNA)
where:
Base-Base interactions energy: -26.905
where: short stacking energy: -23.869
Base-Backbone interact. energy: -0.257
local terms energy: -54.125153
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: 1.692
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: 7
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -74.359895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.359895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.359895 (E_RNA)
where:
Base-Base interactions energy: -22.211
where: short stacking energy: -22.075
Base-Backbone interact. energy: -0.284
local terms energy: -51.864838
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -8.025
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -203.771743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.771743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.771743 (E_RNA)
where:
Base-Base interactions energy: -130.465
where: short stacking energy: -67.036
Base-Backbone interact. energy: -0.290
local terms energy: -73.016953
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -16.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -205.371204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.371204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.371204 (E_RNA)
where:
Base-Base interactions energy: -124.617
where: short stacking energy: -74.521
Base-Backbone interact. energy: -0.032
local terms energy: -80.722598
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -21.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -183.596695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.596695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.596695 (E_RNA)
where:
Base-Base interactions energy: -112.514
where: short stacking energy: -63.957
Base-Backbone interact. energy: -0.070
local terms energy: -71.012860
where:
bonds (distance) C4'-P energy: -8.845
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -15.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -189.978511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.978511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.978511 (E_RNA)
where:
Base-Base interactions energy: -115.385
where: short stacking energy: -63.590
Base-Backbone interact. energy: -0.054
local terms energy: -74.539678
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -17.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -173.534931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.534931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.534931 (E_RNA)
where:
Base-Base interactions energy: -115.156
where: short stacking energy: -56.205
Base-Backbone interact. energy: -1.054
local terms energy: -57.324755
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -7.446
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -16.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -145.418294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.418294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.418294 (E_RNA)
where:
Base-Base interactions energy: -81.472
where: short stacking energy: -43.088
Base-Backbone interact. energy: -0.084
local terms energy: -63.862532
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -18.159
flat angles C4'-P-C4' energy: -9.151
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -12.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -155.259615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.259615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.259615 (E_RNA)
where:
Base-Base interactions energy: -85.573
where: short stacking energy: -39.919
Base-Backbone interact. energy: -0.250
local terms energy: -69.436607
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -8.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -82.952790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.952790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.952790 (E_RNA)
where:
Base-Base interactions energy: -38.707
where: short stacking energy: -27.495
Base-Backbone interact. energy: -0.055
local terms energy: -44.191282
where:
bonds (distance) C4'-P energy: -11.125
bonds (distance) P-C4' energy: -7.116
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -5.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -80.779068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.779068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.779068 (E_RNA)
where:
Base-Base interactions energy: -33.771
where: short stacking energy: -28.476
Base-Backbone interact. energy: 1.633
local terms energy: -48.640557
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -1.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -82.958896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.958896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.958896 (E_RNA)
where:
Base-Base interactions energy: -36.648
where: short stacking energy: -34.174
Base-Backbone interact. energy: -0.151
local terms energy: -46.160309
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -10.865
flat angles P-C4'-P energy: -5.004
tors. eta vs tors. theta energy: -5.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -195.897934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.897934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.897934 (E_RNA)
where:
Base-Base interactions energy: -121.403
where: short stacking energy: -59.444
Base-Backbone interact. energy: -0.989
local terms energy: -73.506211
where:
bonds (distance) C4'-P energy: -14.692
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -17.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -189.182214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.182214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.182214 (E_RNA)
where:
Base-Base interactions energy: -125.500
where: short stacking energy: -52.973
Base-Backbone interact. energy: -0.421
local terms energy: -63.261665
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -10.748
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: 3, replica: 2
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -169.028273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.028273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.028273 (E_RNA)
where:
Base-Base interactions energy: -99.897
where: short stacking energy: -54.019
Base-Backbone interact. energy: -0.094
local terms energy: -69.037307
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -11.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -167.752672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.752672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.752672 (E_RNA)
where:
Base-Base interactions energy: -101.579
where: short stacking energy: -51.615
Base-Backbone interact. energy: -0.157
local terms energy: -66.016393
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -10.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -153.406521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.406521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.406521 (E_RNA)
where:
Base-Base interactions energy: -97.912
where: short stacking energy: -47.034
Base-Backbone interact. energy: 0.248
local terms energy: -55.741973
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -7.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -170.515537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.515537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.515537 (E_RNA)
where:
Base-Base interactions energy: -112.118
where: short stacking energy: -58.370
Base-Backbone interact. energy: -0.302
local terms energy: -58.095292
where:
bonds (distance) C4'-P energy: -7.777
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -3.282
tors. eta vs tors. theta energy: -14.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -133.533652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.533652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.533652 (E_RNA)
where:
Base-Base interactions energy: -81.598
where: short stacking energy: -41.043
Base-Backbone interact. energy: 1.185
local terms energy: -53.121226
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -9.548
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -6.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -97.878328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.878328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.878328 (E_RNA)
where:
Base-Base interactions energy: -36.522
where: short stacking energy: -34.719
Base-Backbone interact. energy: -0.281
local terms energy: -61.075107
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -4.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -87.765385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.765385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.765385 (E_RNA)
where:
Base-Base interactions energy: -37.828
where: short stacking energy: -24.566
Base-Backbone interact. energy: 0.356
local terms energy: -50.293453
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -0.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -78.907894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.907894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.907894 (E_RNA)
where:
Base-Base interactions energy: -30.178
where: short stacking energy: -23.853
Base-Backbone interact. energy: 0.434
local terms energy: -49.164472
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: 3.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -195.591058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.591058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.591058 (E_RNA)
where:
Base-Base interactions energy: -120.417
where: short stacking energy: -61.777
Base-Backbone interact. energy: -0.089
local terms energy: -75.084491
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -15.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -201.740164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.740164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.740164 (E_RNA)
where:
Base-Base interactions energy: -131.522
where: short stacking energy: -63.272
Base-Backbone interact. energy: 0.139
local terms energy: -70.356453
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -14.460
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: 2
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -180.098342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.098342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.098342 (E_RNA)
where:
Base-Base interactions energy: -109.012
where: short stacking energy: -48.256
Base-Backbone interact. energy: -0.196
local terms energy: -70.890800
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -11.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -165.261075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.261075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.261075 (E_RNA)
where:
Base-Base interactions energy: -93.749
where: short stacking energy: -51.244
Base-Backbone interact. energy: -0.794
local terms energy: -70.718753
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -13.695
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: 10
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -130.672443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.672443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.672443 (E_RNA)
where:
Base-Base interactions energy: -79.262
where: short stacking energy: -46.046
Base-Backbone interact. energy: -0.138
local terms energy: -51.272586
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -7.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -151.218024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.218024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.218024 (E_RNA)
where:
Base-Base interactions energy: -88.535
where: short stacking energy: -35.571
Base-Backbone interact. energy: -1.961
local terms energy: -60.721535
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -8.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -124.929611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.929611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.929611 (E_RNA)
where:
Base-Base interactions energy: -70.751
where: short stacking energy: -37.466
Base-Backbone interact. energy: -0.245
local terms energy: -53.933454
where:
bonds (distance) C4'-P energy: -5.889
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -5.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -79.566372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.566372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.566372 (E_RNA)
where:
Base-Base interactions energy: -29.993
where: short stacking energy: -29.993
Base-Backbone interact. energy: -0.149
local terms energy: -49.423807
where:
bonds (distance) C4'-P energy: -10.423
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -10.903
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -6.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -73.823128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.823128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.823128 (E_RNA)
where:
Base-Base interactions energy: -31.609
where: short stacking energy: -19.572
Base-Backbone interact. energy: -0.577
local terms energy: -41.637248
where:
bonds (distance) C4'-P energy: -6.109
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -11.107
flat angles P-C4'-P energy: -9.548
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: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -79.249123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.249123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.249123 (E_RNA)
where:
Base-Base interactions energy: -29.509
where: short stacking energy: -29.509
Base-Backbone interact. energy: -0.530
local terms energy: -49.210663
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -10.265
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -2.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -214.539345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.539345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.539345 (E_RNA)
where:
Base-Base interactions energy: -143.886
where: short stacking energy: -67.003
Base-Backbone interact. energy: -0.125
local terms energy: -70.527890
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -14.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -192.815243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.815243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.815243 (E_RNA)
where:
Base-Base interactions energy: -118.349
where: short stacking energy: -60.294
Base-Backbone interact. energy: -0.098
local terms energy: -74.368634
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -17.827
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -13.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -187.090079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.090079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.090079 (E_RNA)
where:
Base-Base interactions energy: -114.887
where: short stacking energy: -56.712
Base-Backbone interact. energy: 0.084
local terms energy: -72.286274
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -18.186
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -15.293
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: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -170.825163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.825163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.825163 (E_RNA)
where:
Base-Base interactions energy: -104.648
where: short stacking energy: -57.927
Base-Backbone interact. energy: -0.247
local terms energy: -65.930182
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -10.742
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -17.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -169.077402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.077402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.077402 (E_RNA)
where:
Base-Base interactions energy: -100.934
where: short stacking energy: -52.434
Base-Backbone interact. energy: -0.008
local terms energy: -68.135030
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -14.777
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: 10
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -130.020431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.020431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.020431 (E_RNA)
where:
Base-Base interactions energy: -79.076
where: short stacking energy: -40.768
Base-Backbone interact. energy: -0.640
local terms energy: -50.304397
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -9.675
flat angles C4'-P-C4' energy: -7.831
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -9.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -96.148646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.148646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.148646 (E_RNA)
where:
Base-Base interactions energy: -34.181
where: short stacking energy: -34.181
Base-Backbone interact. energy: -0.074
local terms energy: -61.893051
where:
bonds (distance) C4'-P energy: -8.953
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -5.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -130.428132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.428132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.428132 (E_RNA)
where:
Base-Base interactions energy: -77.041
where: short stacking energy: -37.725
Base-Backbone interact. energy: 1.246
local terms energy: -54.632315
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -11.235
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: 9, replica: 5
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -84.918613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.918613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.918613 (E_RNA)
where:
Base-Base interactions energy: -47.268
where: short stacking energy: -30.680
Base-Backbone interact. energy: 2.311
local terms energy: -39.961682
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -13.338
flat angles C4'-P-C4' energy: -8.285
flat angles P-C4'-P energy: -3.784
tors. eta vs tors. theta energy: 0.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -78.825814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.825814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.825814 (E_RNA)
where:
Base-Base interactions energy: -34.423
where: short stacking energy: -33.294
Base-Backbone interact. energy: -0.341
local terms energy: -44.061193
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -10.068
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -0.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -206.526189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.526189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.526189 (E_RNA)
where:
Base-Base interactions energy: -132.359
where: short stacking energy: -67.253
Base-Backbone interact. energy: -1.129
local terms energy: -73.037856
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -16.315
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: 1
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -202.985572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.985572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.985572 (E_RNA)
where:
Base-Base interactions energy: -123.815
where: short stacking energy: -67.598
Base-Backbone interact. energy: -0.013
local terms energy: -79.158405
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -14.854
tors. eta vs tors. theta energy: -18.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -199.714764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.714764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.714764 (E_RNA)
where:
Base-Base interactions energy: -124.267
where: short stacking energy: -66.531
Base-Backbone interact. energy: -0.001
local terms energy: -75.446519
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -19.266
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: 4
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -181.123916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.123916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.123916 (E_RNA)
where:
Base-Base interactions energy: -103.240
where: short stacking energy: -55.423
Base-Backbone interact. energy: -0.400
local terms energy: -77.483487
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -15.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -163.082107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.082107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.082107 (E_RNA)
where:
Base-Base interactions energy: -93.300
where: short stacking energy: -41.572
Base-Backbone interact. energy: -0.092
local terms energy: -69.690012
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -18.937
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -11.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -93.556592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.556592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.556592 (E_RNA)
where:
Base-Base interactions energy: -38.351
where: short stacking energy: -21.430
Base-Backbone interact. energy: -0.401
local terms energy: -54.804951
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: 3.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -91.446630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.446630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.446630 (E_RNA)
where:
Base-Base interactions energy: -36.767
where: short stacking energy: -36.767
Base-Backbone interact. energy: -0.145
local terms energy: -54.533869
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -4.004
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: 3
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -157.170209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.170209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.170209 (E_RNA)
where:
Base-Base interactions energy: -90.806
where: short stacking energy: -47.730
Base-Backbone interact. energy: -1.713
local terms energy: -64.651107
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -15.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -74.573115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.573115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.573115 (E_RNA)
where:
Base-Base interactions energy: -20.482
where: short stacking energy: -20.482
Base-Backbone interact. energy: -0.168
local terms energy: -53.923787
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: -4.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -75.478470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.478470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.478470 (E_RNA)
where:
Base-Base interactions energy: -31.042
where: short stacking energy: -26.646
Base-Backbone interact. energy: -0.466
local terms energy: -43.970379
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -9.727
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -2.573
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: 8
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -205.854091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.854091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.854091 (E_RNA)
where:
Base-Base interactions energy: -130.161
where: short stacking energy: -67.945
Base-Backbone interact. energy: -0.003
local terms energy: -75.690242
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -16.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -202.510108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.510108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.510108 (E_RNA)
where:
Base-Base interactions energy: -123.277
where: short stacking energy: -69.344
Base-Backbone interact. energy: -0.335
local terms energy: -78.898960
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -21.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -195.500211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.500211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.500211 (E_RNA)
where:
Base-Base interactions energy: -115.767
where: short stacking energy: -65.063
Base-Backbone interact. energy: -0.004
local terms energy: -79.728779
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -23.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -169.728881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.728881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.728881 (E_RNA)
where:
Base-Base interactions energy: -101.807
where: short stacking energy: -59.830
Base-Backbone interact. energy: -0.000
local terms energy: -67.921500
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -20.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -160.731570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.731570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.731570 (E_RNA)
where:
Base-Base interactions energy: -95.966
where: short stacking energy: -39.567
Base-Backbone interact. energy: -0.157
local terms energy: -64.608218
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -10.857
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: 6, replica: 7
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -96.180724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.180724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.180724 (E_RNA)
where:
Base-Base interactions energy: -36.532
where: short stacking energy: -29.004
Base-Backbone interact. energy: -0.623
local terms energy: -59.025041
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -7.896
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: 3
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -164.225760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.225760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.225760 (E_RNA)
where:
Base-Base interactions energy: -104.854
where: short stacking energy: -58.253
Base-Backbone interact. energy: -0.000
local terms energy: -59.371055
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -10.145
flat angles P-C4'-P energy: -5.689
tors. eta vs tors. theta energy: -16.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -80.484743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.484743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.484743 (E_RNA)
where:
Base-Base interactions energy: -28.989
where: short stacking energy: -28.989
Base-Backbone interact. energy: -0.094
local terms energy: -51.401452
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -7.533
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -5.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -80.090300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.090300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.090300 (E_RNA)
where:
Base-Base interactions energy: -31.362
where: short stacking energy: -24.697
Base-Backbone interact. energy: -0.078
local terms energy: -48.649462
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -3.404
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: 84
Temperature: 1.350000
Total energy: -72.927533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.927533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.927533 (E_RNA)
where:
Base-Base interactions energy: -30.343
where: short stacking energy: -12.348
Base-Backbone interact. energy: -0.059
local terms energy: -42.525940
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -12.527
flat angles C4'-P-C4' energy: -10.534
flat angles P-C4'-P energy: -6.297
tors. eta vs tors. theta energy: -1.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -196.464284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.464284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.464284 (E_RNA)
where:
Base-Base interactions energy: -116.365
where: short stacking energy: -63.271
Base-Backbone interact. energy: -0.650
local terms energy: -79.449907
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -13.392
tors. eta vs tors. theta energy: -19.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -208.739814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.739814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.739814 (E_RNA)
where:
Base-Base interactions energy: -129.935
where: short stacking energy: -64.334
Base-Backbone interact. energy: -0.093
local terms energy: -78.711752
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -17.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -186.390130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.390130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.390130 (E_RNA)
where:
Base-Base interactions energy: -113.428
where: short stacking energy: -55.039
Base-Backbone interact. energy: -0.174
local terms energy: -72.788317
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -11.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -191.020730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.020730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.020730 (E_RNA)
where:
Base-Base interactions energy: -119.713
where: short stacking energy: -71.599
Base-Backbone interact. energy: -0.176
local terms energy: -71.132308
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -18.081
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: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -161.338862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.338862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.338862 (E_RNA)
where:
Base-Base interactions energy: -93.066
where: short stacking energy: -54.434
Base-Backbone interact. energy: -0.263
local terms energy: -68.010118
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -17.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -164.016316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.016316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.016316 (E_RNA)
where:
Base-Base interactions energy: -97.259
where: short stacking energy: -55.443
Base-Backbone interact. energy: -0.011
local terms energy: -66.747283
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -12.459
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -16.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -97.776135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.776135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.776135 (E_RNA)
where:
Base-Base interactions energy: -49.907
where: short stacking energy: -29.753
Base-Backbone interact. energy: -0.638
local terms energy: -47.231363
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -5.052
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: 8, replica: 5
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -94.682230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.682230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.682230 (E_RNA)
where:
Base-Base interactions energy: -36.685
where: short stacking energy: -36.685
Base-Backbone interact. energy: 0.200
local terms energy: -58.197044
where:
bonds (distance) C4'-P energy: -8.214
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -8.226
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: 10
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -71.612925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.612925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.612925 (E_RNA)
where:
Base-Base interactions energy: -34.982
where: short stacking energy: -34.982
Base-Backbone interact. energy: 1.879
local terms energy: -38.510162
where:
bonds (distance) C4'-P energy: -7.944
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -0.043
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -77.740908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.740908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.740908 (E_RNA)
where:
Base-Base interactions energy: -29.758
where: short stacking energy: -28.326
Base-Backbone interact. energy: -0.046
local terms energy: -47.937384
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -11.524
flat angles P-C4'-P energy: -3.063
tors. eta vs tors. theta energy: -7.702
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: 9
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -214.459860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.459860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.459860 (E_RNA)
where:
Base-Base interactions energy: -137.095
where: short stacking energy: -69.018
Base-Backbone interact. energy: -0.013
local terms energy: -77.351261
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -18.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -188.907692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.907692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.907692 (E_RNA)
where:
Base-Base interactions energy: -117.283
where: short stacking energy: -62.574
Base-Backbone interact. energy: -0.295
local terms energy: -71.330331
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -10.881
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -18.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -177.191152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.191152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.191152 (E_RNA)
where:
Base-Base interactions energy: -112.113
where: short stacking energy: -56.219
Base-Backbone interact. energy: -0.304
local terms energy: -64.774728
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -11.149
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -12.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -178.938948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.938948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.938948 (E_RNA)
where:
Base-Base interactions energy: -109.968
where: short stacking energy: -61.124
Base-Backbone interact. energy: -0.015
local terms energy: -68.956043
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -16.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -172.009874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.009874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.009874 (E_RNA)
where:
Base-Base interactions energy: -99.765
where: short stacking energy: -56.387
Base-Backbone interact. energy: -0.012
local terms energy: -72.232909
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -15.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -160.406142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.406142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.406142 (E_RNA)
where:
Base-Base interactions energy: -95.806
where: short stacking energy: -53.042
Base-Backbone interact. energy: 1.869
local terms energy: -66.468588
where:
bonds (distance) C4'-P energy: -13.873
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -5.256
tors. eta vs tors. theta energy: -15.661
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: 86
Temperature: 1.200000
Total energy: -79.201110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.201110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.201110 (E_RNA)
where:
Base-Base interactions energy: -30.956
where: short stacking energy: -28.777
Base-Backbone interact. energy: -0.234
local terms energy: -48.010905
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -10.378
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -9.387
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: 8, replica: 7
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -89.938973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.938973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.938973 (E_RNA)
where:
Base-Base interactions energy: -40.383
where: short stacking energy: -35.060
Base-Backbone interact. energy: -0.489
local terms energy: -49.066272
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -2.375
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: 10
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -82.410896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.410896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.410896 (E_RNA)
where:
Base-Base interactions energy: -31.533
where: short stacking energy: -31.533
Base-Backbone interact. energy: -0.398
local terms energy: -50.479957
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -6.815
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: 86
Temperature: 1.350000
Total energy: -70.130413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.130413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.130413 (E_RNA)
where:
Base-Base interactions energy: -19.535
where: short stacking energy: -18.396
Base-Backbone interact. energy: 0.922
local terms energy: -51.516972
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: 0.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -210.130814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.130814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.130814 (E_RNA)
where:
Base-Base interactions energy: -136.434
where: short stacking energy: -68.648
Base-Backbone interact. energy: -0.722
local terms energy: -72.974393
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -16.203
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: 1
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -194.157028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.157028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.157028 (E_RNA)
where:
Base-Base interactions energy: -117.917
where: short stacking energy: -64.258
Base-Backbone interact. energy: -0.075
local terms energy: -76.165035
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -18.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -181.971705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.971705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.971705 (E_RNA)
where:
Base-Base interactions energy: -110.128
where: short stacking energy: -54.978
Base-Backbone interact. energy: -0.787
local terms energy: -71.057108
where:
bonds (distance) C4'-P energy: -9.230
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -18.987
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: 4
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -168.634963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.634963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.634963 (E_RNA)
where:
Base-Base interactions energy: -109.919
where: short stacking energy: -68.547
Base-Backbone interact. energy: -0.004
local terms energy: -58.712603
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -9.270
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -4.582
tors. eta vs tors. theta energy: -16.893
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: 5, replica: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -179.763930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.763930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.763930 (E_RNA)
where:
Base-Base interactions energy: -109.401
where: short stacking energy: -59.909
Base-Backbone interact. energy: -1.451
local terms energy: -68.912279
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -15.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -124.796138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.796138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.796138 (E_RNA)
where:
Base-Base interactions energy: -59.394
where: short stacking energy: -29.482
Base-Backbone interact. energy: -0.004
local terms energy: -65.397706
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -6.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -80.478792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.478792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.478792 (E_RNA)
where:
Base-Base interactions energy: -26.869
where: short stacking energy: -22.583
Base-Backbone interact. energy: -0.142
local terms energy: -53.467526
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -11.379
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: 8, replica: 7
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -94.224088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.224088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.224088 (E_RNA)
where:
Base-Base interactions energy: -35.947
where: short stacking energy: -35.947
Base-Backbone interact. energy: -0.017
local terms energy: -58.260378
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -9.011
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -8.400
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: 87
Temperature: 1.300000
Total energy: -84.612735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.612735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.612735 (E_RNA)
where:
Base-Base interactions energy: -27.873
where: short stacking energy: -27.873
Base-Backbone interact. energy: 0.783
local terms energy: -57.522543
where:
bonds (distance) C4'-P energy: -9.979
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -10.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -81.496594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.496594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.496594 (E_RNA)
where:
Base-Base interactions energy: -34.911
where: short stacking energy: -24.212
Base-Backbone interact. energy: -0.076
local terms energy: -46.510251
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: 4.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -205.606283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.606283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.606283 (E_RNA)
where:
Base-Base interactions energy: -131.408
where: short stacking energy: -64.273
Base-Backbone interact. energy: -0.411
local terms energy: -73.787101
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -15.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -197.296196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.296196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.296196 (E_RNA)
where:
Base-Base interactions energy: -119.789
where: short stacking energy: -65.983
Base-Backbone interact. energy: -0.001
local terms energy: -77.506274
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -18.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -184.430610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.430610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.430610 (E_RNA)
where:
Base-Base interactions energy: -118.677
where: short stacking energy: -56.699
Base-Backbone interact. energy: -0.022
local terms energy: -65.731382
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -13.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -190.959706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.959706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.959706 (E_RNA)
where:
Base-Base interactions energy: -118.775
where: short stacking energy: -54.338
Base-Backbone interact. energy: -1.640
local terms energy: -70.545167
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -9.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -157.173986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.173986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.173986 (E_RNA)
where:
Base-Base interactions energy: -97.186
where: short stacking energy: -48.979
Base-Backbone interact. energy: -0.135
local terms energy: -59.853304
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -6.543
tors. eta vs tors. theta energy: -10.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -164.170033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.170033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.170033 (E_RNA)
where:
Base-Base interactions energy: -99.176
where: short stacking energy: -54.535
Base-Backbone interact. energy: -0.286
local terms energy: -64.707242
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -12.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -91.862380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.862380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.862380 (E_RNA)
where:
Base-Base interactions energy: -41.941
where: short stacking energy: -27.585
Base-Backbone interact. energy: -0.081
local terms energy: -49.840998
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -10.201
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -5.164
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: 8, replica: 5
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -87.518767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.518767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.518767 (E_RNA)
where:
Base-Base interactions energy: -43.307
where: short stacking energy: -33.112
Base-Backbone interact. energy: 1.596
local terms energy: -45.807352
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -7.781
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -4.041
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: 88
Temperature: 1.300000
Total energy: -83.330176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.330176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.330176 (E_RNA)
where:
Base-Base interactions energy: -29.290
where: short stacking energy: -29.290
Base-Backbone interact. energy: 0.344
local terms energy: -54.384942
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -6.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -74.457522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.457522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.457522 (E_RNA)
where:
Base-Base interactions energy: -26.663
where: short stacking energy: -26.663
Base-Backbone interact. energy: -0.064
local terms energy: -47.730521
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -7.761
flat angles P-C4'-P energy: -5.860
tors. eta vs tors. theta energy: -5.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -207.513600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.513600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.513600 (E_RNA)
where:
Base-Base interactions energy: -128.489
where: short stacking energy: -69.906
Base-Backbone interact. energy: -0.037
local terms energy: -78.987099
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -11.748
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -19.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -187.914775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.914775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.914775 (E_RNA)
where:
Base-Base interactions energy: -112.408
where: short stacking energy: -56.195
Base-Backbone interact. energy: -1.515
local terms energy: -73.991522
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -16.400
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: 3, replica: 9
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -213.987653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.987653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.987653 (E_RNA)
where:
Base-Base interactions energy: -138.814
where: short stacking energy: -70.443
Base-Backbone interact. energy: -0.156
local terms energy: -75.017741
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -9.307
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: 4, replica: 4
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -199.913985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.913985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.913985 (E_RNA)
where:
Base-Base interactions energy: -132.476
where: short stacking energy: -58.063
Base-Backbone interact. energy: -1.194
local terms energy: -66.244227
where:
bonds (distance) C4'-P energy: -8.076
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -14.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -160.186886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.186886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.186886 (E_RNA)
where:
Base-Base interactions energy: -99.073
where: short stacking energy: -53.204
Base-Backbone interact. energy: -0.968
local terms energy: -60.145739
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -10.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -162.507303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.507303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.507303 (E_RNA)
where:
Base-Base interactions energy: -100.825
where: short stacking energy: -54.718
Base-Backbone interact. energy: -0.337
local terms energy: -61.345674
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -12.721
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: 7
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -84.412909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.412909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.412909 (E_RNA)
where:
Base-Base interactions energy: -41.387
where: short stacking energy: -36.330
Base-Backbone interact. energy: -0.060
local terms energy: -42.966636
where:
bonds (distance) C4'-P energy: -9.029
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -10.705
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -0.008
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: 6
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -80.323369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.323369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.323369 (E_RNA)
where:
Base-Base interactions energy: -33.093
where: short stacking energy: -29.013
Base-Backbone interact. energy: 0.548
local terms energy: -47.778047
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -6.538
tors. eta vs tors. theta energy: 0.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -80.371919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.371919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.371919 (E_RNA)
where:
Base-Base interactions energy: -25.637
where: short stacking energy: -23.499
Base-Backbone interact. energy: -2.246
local terms energy: -52.488676
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -5.326
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: 10
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -76.959479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.959479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.959479 (E_RNA)
where:
Base-Base interactions energy: -38.697
where: short stacking energy: -11.752
Base-Backbone interact. energy: -0.028
local terms energy: -38.234811
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -8.920
flat angles P-C4'-P energy: -5.246
tors. eta vs tors. theta energy: 1.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -202.006449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.006449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.006449 (E_RNA)
where:
Base-Base interactions energy: -124.740
where: short stacking energy: -68.790
Base-Backbone interact. energy: -0.037
local terms energy: -77.229061
where:
bonds (distance) C4'-P energy: -10.519
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -14.808
tors. eta vs tors. theta energy: -19.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -200.977029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.977029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.977029 (E_RNA)
where:
Base-Base interactions energy: -131.890
where: short stacking energy: -63.514
Base-Backbone interact. energy: -0.635
local terms energy: -68.452393
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: -18.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -197.325255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.325255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.325255 (E_RNA)
where:
Base-Base interactions energy: -124.100
where: short stacking energy: -66.063
Base-Backbone interact. energy: -0.556
local terms energy: -72.670200
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -15.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -192.646664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.646664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.646664 (E_RNA)
where:
Base-Base interactions energy: -120.551
where: short stacking energy: -68.234
Base-Backbone interact. energy: -0.621
local terms energy: -71.474291
where:
bonds (distance) C4'-P energy: -9.861
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -21.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -158.220780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.220780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.220780 (E_RNA)
where:
Base-Base interactions energy: -96.633
where: short stacking energy: -52.966
Base-Backbone interact. energy: -0.111
local terms energy: -61.476691
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -5.516
tors. eta vs tors. theta energy: -16.069
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: 2
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -125.448641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.448641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.448641 (E_RNA)
where:
Base-Base interactions energy: -77.976
where: short stacking energy: -37.570
Base-Backbone interact. energy: -0.310
local terms energy: -47.162505
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -11.133
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -6.542
tors. eta vs tors. theta energy: -5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -99.413051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.413051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.413051 (E_RNA)
where:
Base-Base interactions energy: -38.877
where: short stacking energy: -30.290
Base-Backbone interact. energy: -0.072
local terms energy: -60.464209
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -10.218
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: 8, replica: 7
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -83.851746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.851746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.851746 (E_RNA)
where:
Base-Base interactions energy: -39.221
where: short stacking energy: -18.307
Base-Backbone interact. energy: -0.307
local terms energy: -44.323766
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: 3.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -84.959015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.959015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.959015 (E_RNA)
where:
Base-Base interactions energy: -35.022
where: short stacking energy: -35.022
Base-Backbone interact. energy: -0.176
local terms energy: -49.761120
where:
bonds (distance) C4'-P energy: -9.718
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -7.904
flat angles P-C4'-P energy: -6.182
tors. eta vs tors. theta energy: -10.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -79.646319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.646319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.646319 (E_RNA)
where:
Base-Base interactions energy: -32.760
where: short stacking energy: -28.942
Base-Backbone interact. energy: -0.239
local terms energy: -46.648000
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -2.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -195.416839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.416839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.416839 (E_RNA)
where:
Base-Base interactions energy: -125.847
where: short stacking energy: -56.922
Base-Backbone interact. energy: -0.313
local terms energy: -69.256288
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -14.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -196.934447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.934447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.934447 (E_RNA)
where:
Base-Base interactions energy: -125.451
where: short stacking energy: -63.888
Base-Backbone interact. energy: -0.142
local terms energy: -71.341754
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -19.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -193.409531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.409531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.409531 (E_RNA)
where:
Base-Base interactions energy: -116.632
where: short stacking energy: -67.641
Base-Backbone interact. energy: -0.001
local terms energy: -76.775914
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -17.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -177.659344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.659344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.659344 (E_RNA)
where:
Base-Base interactions energy: -107.471
where: short stacking energy: -55.459
Base-Backbone interact. energy: -0.819
local terms energy: -69.369815
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -16.832
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: 9
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -183.889453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.889453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.889453 (E_RNA)
where:
Base-Base interactions energy: -109.753
where: short stacking energy: -51.796
Base-Backbone interact. energy: -0.453
local terms energy: -73.682827
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -17.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -97.216302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.216302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.216302 (E_RNA)
where:
Base-Base interactions energy: -38.388
where: short stacking energy: -36.934
Base-Backbone interact. energy: -0.044
local terms energy: -58.783911
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -6.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -149.358583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.358583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.358583 (E_RNA)
where:
Base-Base interactions energy: -86.261
where: short stacking energy: -40.390
Base-Backbone interact. energy: -0.269
local terms energy: -62.828738
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -10.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -79.849114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.849114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.849114 (E_RNA)
where:
Base-Base interactions energy: -33.082
where: short stacking energy: -33.582
Base-Backbone interact. energy: -0.154
local terms energy: -46.613065
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -7.445
flat angles C4'-P-C4' energy: -9.218
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -7.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -80.246576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.246576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.246576 (E_RNA)
where:
Base-Base interactions energy: -30.291
where: short stacking energy: -23.216
Base-Backbone interact. energy: 2.142
local terms energy: -52.097799
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -5.128
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: 10
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -77.165462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.165462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.165462 (E_RNA)
where:
Base-Base interactions energy: -26.309
where: short stacking energy: -19.087
Base-Backbone interact. energy: -0.353
local terms energy: -50.503303
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: 2.377
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: 1
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -201.469494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.469494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.469494 (E_RNA)
where:
Base-Base interactions energy: -129.977
where: short stacking energy: -61.486
Base-Backbone interact. energy: -0.185
local terms energy: -71.306924
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -19.798
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -11.450
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: 8
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -185.694724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.694724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.694724 (E_RNA)
where:
Base-Base interactions energy: -106.756
where: short stacking energy: -65.842
Base-Backbone interact. energy: -1.247
local terms energy: -77.691352
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -19.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -184.238196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.238196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.238196 (E_RNA)
where:
Base-Base interactions energy: -116.194
where: short stacking energy: -64.252
Base-Backbone interact. energy: -0.203
local terms energy: -67.841414
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -6.617
tors. eta vs tors. theta energy: -17.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -158.468569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.468569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.468569 (E_RNA)
where:
Base-Base interactions energy: -95.586
where: short stacking energy: -48.076
Base-Backbone interact. energy: -0.417
local terms energy: -62.465226
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -11.577
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: 5, replica: 9
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -180.211389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.211389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.211389 (E_RNA)
where:
Base-Base interactions energy: -120.561
where: short stacking energy: -53.455
Base-Backbone interact. energy: -0.332
local terms energy: -59.318553
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -9.740
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -14.286
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: 6
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -96.419792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.419792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.419792 (E_RNA)
where:
Base-Base interactions energy: -42.810
where: short stacking energy: -25.263
Base-Backbone interact. energy: -0.166
local terms energy: -53.443791
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -12.335
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: 7, replica: 5
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -88.327654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.327654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.327654 (E_RNA)
where:
Base-Base interactions energy: -36.593
where: short stacking energy: -32.988
Base-Backbone interact. energy: 0.008
local terms energy: -51.742519
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -8.202
flat angles P-C4'-P energy: -7.909
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: 2
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -77.626296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.626296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.626296 (E_RNA)
where:
Base-Base interactions energy: -24.462
where: short stacking energy: -24.562
Base-Backbone interact. energy: -0.101
local terms energy: -53.063481
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -5.994
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: 92
Temperature: 1.300000
Total energy: -77.565300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.565300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.565300 (E_RNA)
where:
Base-Base interactions energy: -22.335
where: short stacking energy: -26.435
Base-Backbone interact. energy: -0.092
local terms energy: -55.137883
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -2.411
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: 7
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -90.520769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.520769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.520769 (E_RNA)
where:
Base-Base interactions energy: -36.008
where: short stacking energy: -36.008
Base-Backbone interact. energy: -0.131
local terms energy: -54.382108
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -3.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -193.937890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.937890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.937890 (E_RNA)
where:
Base-Base interactions energy: -124.174
where: short stacking energy: -60.015
Base-Backbone interact. energy: -0.004
local terms energy: -69.760389
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -16.727
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: 93
Temperature: 0.950000
Total energy: -196.150222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.150222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.150222 (E_RNA)
where:
Base-Base interactions energy: -120.257
where: short stacking energy: -69.610
Base-Backbone interact. energy: -0.009
local terms energy: -75.884302
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -19.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -186.001910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.001910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.001910 (E_RNA)
where:
Base-Base interactions energy: -112.686
where: short stacking energy: -58.607
Base-Backbone interact. energy: -0.128
local terms energy: -73.187824
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -17.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -186.526751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.526751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.526751 (E_RNA)
where:
Base-Base interactions energy: -120.909
where: short stacking energy: -61.016
Base-Backbone interact. energy: 1.509
local terms energy: -67.126725
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -14.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -155.793524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.793524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.793524 (E_RNA)
where:
Base-Base interactions energy: -90.311
where: short stacking energy: -45.355
Base-Backbone interact. energy: -0.472
local terms energy: -65.010176
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -11.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -99.265560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.265560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.265560 (E_RNA)
where:
Base-Base interactions energy: -50.934
where: short stacking energy: -32.007
Base-Backbone interact. energy: -0.123
local terms energy: -48.208567
where:
bonds (distance) C4'-P energy: -7.988
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -3.526
tors. eta vs tors. theta energy: -5.997
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: 6
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -79.338192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.338192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.338192 (E_RNA)
where:
Base-Base interactions energy: -35.800
where: short stacking energy: -28.168
Base-Backbone interact. energy: -0.519
local terms energy: -43.018343
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -5.495
tors. eta vs tors. theta energy: 0.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -87.514820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.514820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.514820 (E_RNA)
where:
Base-Base interactions energy: -48.841
where: short stacking energy: -19.901
Base-Backbone interact. energy: -0.219
local terms energy: -38.455333
where:
bonds (distance) C4'-P energy: -7.954
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: 1.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -83.529935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.529935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.529935 (E_RNA)
where:
Base-Base interactions energy: -32.071
where: short stacking energy: -29.771
Base-Backbone interact. energy: -1.027
local terms energy: -50.431836
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -0.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -75.848314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.848314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.848314 (E_RNA)
where:
Base-Base interactions energy: -36.390
where: short stacking energy: -33.231
Base-Backbone interact. energy: -0.128
local terms energy: -39.329652
where:
bonds (distance) C4'-P energy: -10.444
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -4.542
tors. eta vs tors. theta energy: -0.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -199.913510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.913510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.913510 (E_RNA)
where:
Base-Base interactions energy: -122.771
where: short stacking energy: -68.679
Base-Backbone interact. energy: -0.055
local terms energy: -77.087522
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -14.536
tors. eta vs tors. theta energy: -15.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -191.269876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.269876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.269876 (E_RNA)
where:
Base-Base interactions energy: -115.160
where: short stacking energy: -59.763
Base-Backbone interact. energy: -0.090
local terms energy: -76.020108
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -14.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -202.226527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.226527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.226527 (E_RNA)
where:
Base-Base interactions energy: -129.931
where: short stacking energy: -57.409
Base-Backbone interact. energy: -0.184
local terms energy: -72.111640
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -10.083
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -20.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -177.347835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.347835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.347835 (E_RNA)
where:
Base-Base interactions energy: -113.753
where: short stacking energy: -61.351
Base-Backbone interact. energy: -0.134
local terms energy: -63.460892
where:
bonds (distance) C4'-P energy: -9.500
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -16.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -168.994303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.994303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.994303 (E_RNA)
where:
Base-Base interactions energy: -104.967
where: short stacking energy: -40.866
Base-Backbone interact. energy: -0.109
local terms energy: -63.918267
where:
bonds (distance) C4'-P energy: -18.395
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -10.110
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: 5
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -95.135556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.135556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.135556 (E_RNA)
where:
Base-Base interactions energy: -39.318
where: short stacking energy: -39.318
Base-Backbone interact. energy: -0.420
local terms energy: -55.397667
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -9.446
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: 7, replica: 10
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -111.928488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.928488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.928488 (E_RNA)
where:
Base-Base interactions energy: -45.682
where: short stacking energy: -34.946
Base-Backbone interact. energy: 0.178
local terms energy: -66.424926
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -19.028
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -5.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -94.324214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.324214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.324214 (E_RNA)
where:
Base-Base interactions energy: -40.022
where: short stacking energy: -35.280
Base-Backbone interact. energy: 0.337
local terms energy: -54.639092
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -7.986
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -10.685
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: 2
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -77.891992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.891992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.891992 (E_RNA)
where:
Base-Base interactions energy: -34.010
where: short stacking energy: -32.459
Base-Backbone interact. energy: -0.289
local terms energy: -43.593179
where:
bonds (distance) C4'-P energy: -6.308
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -3.963
tors. eta vs tors. theta energy: -6.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -79.179200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.179200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.179200 (E_RNA)
where:
Base-Base interactions energy: -23.420
where: short stacking energy: -23.420
Base-Backbone interact. energy: 0.990
local terms energy: -56.749684
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -3.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -198.634495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.634495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.634495 (E_RNA)
where:
Base-Base interactions energy: -123.679
where: short stacking energy: -70.162
Base-Backbone interact. energy: -0.002
local terms energy: -74.953346
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -17.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -194.035844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.035844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.035844 (E_RNA)
where:
Base-Base interactions energy: -120.993
where: short stacking energy: -60.554
Base-Backbone interact. energy: -0.076
local terms energy: -72.967225
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -192.940155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.940155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.940155 (E_RNA)
where:
Base-Base interactions energy: -126.173
where: short stacking energy: -58.489
Base-Backbone interact. energy: -0.161
local terms energy: -66.606488
where:
bonds (distance) C4'-P energy: -11.405
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -10.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -175.799701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.799701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.799701 (E_RNA)
where:
Base-Base interactions energy: -106.546
where: short stacking energy: -61.476
Base-Backbone interact. energy: -0.359
local terms energy: -68.895587
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -19.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -168.596084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.596084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.596084 (E_RNA)
where:
Base-Base interactions energy: -100.015
where: short stacking energy: -59.780
Base-Backbone interact. energy: -0.180
local terms energy: -68.401370
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -17.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -110.878542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.878542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.878542 (E_RNA)
where:
Base-Base interactions energy: -60.116
where: short stacking energy: -38.347
Base-Backbone interact. energy: 0.176
local terms energy: -50.938276
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -2.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -97.888798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.888798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.888798 (E_RNA)
where:
Base-Base interactions energy: -43.622
where: short stacking energy: -41.010
Base-Backbone interact. energy: -0.007
local terms energy: -54.259928
where:
bonds (distance) C4'-P energy: -4.962
bonds (distance) P-C4' energy: -12.804
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -10.093
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: 8, replica: 2
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -98.064785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.064785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.064785 (E_RNA)
where:
Base-Base interactions energy: -37.482
where: short stacking energy: -37.482
Base-Backbone interact. energy: -0.058
local terms energy: -60.525273
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -11.606
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: 9, replica: 6
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -76.346969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.346969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.346969 (E_RNA)
where:
Base-Base interactions energy: -31.465
where: short stacking energy: -19.423
Base-Backbone interact. energy: -0.142
local terms energy: -44.739953
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -9.923
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: 1.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -78.673277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.673277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.673277 (E_RNA)
where:
Base-Base interactions energy: -28.801
where: short stacking energy: -28.801
Base-Backbone interact. energy: -0.074
local terms energy: -49.798697
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -8.069
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: 1, replica: 9
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -201.573331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.573331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.573331 (E_RNA)
where:
Base-Base interactions energy: -120.280
where: short stacking energy: -68.609
Base-Backbone interact. energy: 0.181
local terms energy: -81.474434
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -20.454
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: 4
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -198.466996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.466996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.466996 (E_RNA)
where:
Base-Base interactions energy: -126.947
where: short stacking energy: -64.683
Base-Backbone interact. energy: -0.001
local terms energy: -71.519057
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -18.657
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: 3
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -180.433529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.433529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.433529 (E_RNA)
where:
Base-Base interactions energy: -109.710
where: short stacking energy: -66.056
Base-Backbone interact. energy: -0.638
local terms energy: -70.085507
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -21.473
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: 1
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -184.591703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.591703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.591703 (E_RNA)
where:
Base-Base interactions energy: -117.387
where: short stacking energy: -67.662
Base-Backbone interact. energy: -0.023
local terms energy: -67.181369
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -10.264
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -19.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -162.771103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.771103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.771103 (E_RNA)
where:
Base-Base interactions energy: -100.360
where: short stacking energy: -48.180
Base-Backbone interact. energy: -0.074
local terms energy: -62.336959
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -6.003
tors. eta vs tors. theta energy: -11.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -113.382130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.382130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.382130 (E_RNA)
where:
Base-Base interactions energy: -64.591
where: short stacking energy: -26.999
Base-Backbone interact. energy: -1.322
local terms energy: -47.468864
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -9.647
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -3.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -101.126166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.126166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.126166 (E_RNA)
where:
Base-Base interactions energy: -40.291
where: short stacking energy: -40.291
Base-Backbone interact. energy: 0.397
local terms energy: -61.231907
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -9.183
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: 2
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -100.543210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.543210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.543210 (E_RNA)
where:
Base-Base interactions energy: -39.262
where: short stacking energy: -32.403
Base-Backbone interact. energy: -0.352
local terms energy: -60.929479
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -6.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -76.404246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.404246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.404246 (E_RNA)
where:
Base-Base interactions energy: -29.715
where: short stacking energy: -29.227
Base-Backbone interact. energy: -0.150
local terms energy: -46.539459
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -7.266
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -3.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -77.405483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.405483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.405483 (E_RNA)
where:
Base-Base interactions energy: -29.006
where: short stacking energy: -29.006
Base-Backbone interact. energy: -0.073
local terms energy: -48.326428
where:
bonds (distance) C4'-P energy: -8.235
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -8.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -194.644028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.644028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.644028 (E_RNA)
where:
Base-Base interactions energy: -121.677
where: short stacking energy: -66.746
Base-Backbone interact. energy: 0.831
local terms energy: -73.798130
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -17.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -191.643771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.643771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.643771 (E_RNA)
where:
Base-Base interactions energy: -110.742
where: short stacking energy: -61.846
Base-Backbone interact. energy: -0.001
local terms energy: -80.901236
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -22.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -184.929548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.929548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.929548 (E_RNA)
where:
Base-Base interactions energy: -108.081
where: short stacking energy: -59.623
Base-Backbone interact. energy: -0.019
local terms energy: -76.830320
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -17.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -185.482874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.482874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.482874 (E_RNA)
where:
Base-Base interactions energy: -112.157
where: short stacking energy: -61.783
Base-Backbone interact. energy: -0.302
local terms energy: -73.024389
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -18.282
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: 5, replica: 1
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -182.967662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.967662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.967662 (E_RNA)
where:
Base-Base interactions energy: -112.510
where: short stacking energy: -61.136
Base-Backbone interact. energy: -0.073
local terms energy: -70.384260
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -11.924
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -18.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -113.848418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.848418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.848418 (E_RNA)
where:
Base-Base interactions energy: -53.073
where: short stacking energy: -52.209
Base-Backbone interact. energy: 0.356
local terms energy: -61.130965
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -9.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -99.459911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.459911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.459911 (E_RNA)
where:
Base-Base interactions energy: -37.878
where: short stacking energy: -30.734
Base-Backbone interact. energy: -0.130
local terms energy: -61.452605
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -9.332
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: 8, replica: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -91.894459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.894459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.894459 (E_RNA)
where:
Base-Base interactions energy: -30.992
where: short stacking energy: -30.992
Base-Backbone interact. energy: -0.226
local terms energy: -60.676588
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -5.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -78.056002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.056002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.056002 (E_RNA)
where:
Base-Base interactions energy: -33.346
where: short stacking energy: -20.395
Base-Backbone interact. energy: 2.924
local terms energy: -47.633505
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -9.904
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: 1.730
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: 10, replica: 6
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -80.766364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.766364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.766364 (E_RNA)
where:
Base-Base interactions energy: -28.996
where: short stacking energy: -28.028
Base-Backbone interact. energy: -0.121
local terms energy: -51.650025
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -2.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -200.047349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.047349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.047349 (E_RNA)
where:
Base-Base interactions energy: -122.234
where: short stacking energy: -71.899
Base-Backbone interact. energy: -0.015
local terms energy: -77.798921
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -21.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -202.457495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.457495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.457495 (E_RNA)
where:
Base-Base interactions energy: -126.542
where: short stacking energy: -71.523
Base-Backbone interact. energy: -0.262
local terms energy: -75.653751
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -18.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -166.142459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.142459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.142459 (E_RNA)
where:
Base-Base interactions energy: -100.165
where: short stacking energy: -51.714
Base-Backbone interact. energy: -0.675
local terms energy: -65.303112
where:
bonds (distance) C4'-P energy: -10.104
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -15.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -181.478490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.478490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.478490 (E_RNA)
where:
Base-Base interactions energy: -113.706
where: short stacking energy: -55.519
Base-Backbone interact. energy: -0.096
local terms energy: -67.677185
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -11.844
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: 1
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -171.634798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.634798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.634798 (E_RNA)
where:
Base-Base interactions energy: -105.191
where: short stacking energy: -53.860
Base-Backbone interact. energy: 1.343
local terms energy: -67.787352
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -14.810
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: 6, replica: 5
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -108.805889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.805889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.805889 (E_RNA)
where:
Base-Base interactions energy: -57.842
where: short stacking energy: -40.951
Base-Backbone interact. energy: -0.049
local terms energy: -50.914682
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -4.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -88.163594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.163594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.163594 (E_RNA)
where:
Base-Base interactions energy: -38.851
where: short stacking energy: -19.297
Base-Backbone interact. energy: -0.160
local terms energy: -49.152181
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -10.760
flat angles P-C4'-P energy: -6.740
tors. eta vs tors. theta energy: -4.487
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: 10
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -85.705114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.705114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.705114 (E_RNA)
where:
Base-Base interactions energy: -33.385
where: short stacking energy: -33.246
Base-Backbone interact. energy: -1.916
local terms energy: -50.404364
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -4.996
tors. eta vs tors. theta energy: -4.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -79.760262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.760262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.760262 (E_RNA)
where:
Base-Base interactions energy: -36.727
where: short stacking energy: -28.290
Base-Backbone interact. energy: 2.755
local terms energy: -45.787784
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -11.398
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -0.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -76.250647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.250647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.250647 (E_RNA)
where:
Base-Base interactions energy: -25.328
where: short stacking energy: -23.167
Base-Backbone interact. energy: -0.505
local terms energy: -50.418189
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -10.399
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: 0.998
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: 1, replica: 4
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -202.934424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.934424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.934424 (E_RNA)
where:
Base-Base interactions energy: -124.188
where: short stacking energy: -66.845
Base-Backbone interact. energy: -0.286
local terms energy: -78.459730
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -19.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -195.291927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.291927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.291927 (E_RNA)
where:
Base-Base interactions energy: -114.962
where: short stacking energy: -63.366
Base-Backbone interact. energy: -0.284
local terms energy: -80.045335
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -19.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -163.483855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.483855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.483855 (E_RNA)
where:
Base-Base interactions energy: -91.074
where: short stacking energy: -56.060
Base-Backbone interact. energy: -0.033
local terms energy: -72.376293
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -13.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -169.807332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.807332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.807332 (E_RNA)
where:
Base-Base interactions energy: -98.416
where: short stacking energy: -47.451
Base-Backbone interact. energy: -0.134
local terms energy: -71.257088
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -11.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -147.820142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.820142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.820142 (E_RNA)
where:
Base-Base interactions energy: -87.111
where: short stacking energy: -53.605
Base-Backbone interact. energy: -0.381
local terms energy: -60.328385
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -11.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -93.791781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.791781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.791781 (E_RNA)
where:
Base-Base interactions energy: -50.529
where: short stacking energy: -35.745
Base-Backbone interact. energy: 0.950
local terms energy: -44.212348
where:
bonds (distance) C4'-P energy: -8.075
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -8.433
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: -3.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -84.117536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.117536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.117536 (E_RNA)
where:
Base-Base interactions energy: -34.197
where: short stacking energy: -34.130
Base-Backbone interact. energy: -0.209
local terms energy: -49.711175
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -11.070
flat angles P-C4'-P energy: -5.567
tors. eta vs tors. theta energy: -6.798
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: 8, replica: 10
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -102.169931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.169931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.169931 (E_RNA)
where:
Base-Base interactions energy: -41.578
where: short stacking energy: -39.288
Base-Backbone interact. energy: -0.208
local terms energy: -60.383546
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -9.753
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: 6
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -98.589795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.589795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.589795 (E_RNA)
where:
Base-Base interactions energy: -52.075
where: short stacking energy: -28.788
Base-Backbone interact. energy: -0.563
local terms energy: -45.951664
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -3.404
tors. eta vs tors. theta energy: -2.655
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: 2
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -74.889006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.889006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.889006 (E_RNA)
where:
Base-Base interactions energy: -32.153
where: short stacking energy: -32.153
Base-Backbone interact. energy: -0.140
local terms energy: -42.595564
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -10.529
flat angles C4'-P-C4' energy: -9.611
flat angles P-C4'-P energy: -5.609
tors. eta vs tors. theta energy: -4.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -196.760766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.760766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.760766 (E_RNA)
where:
Base-Base interactions energy: -120.344
where: short stacking energy: -65.722
Base-Backbone interact. energy: -0.588
local terms energy: -75.829259
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -19.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -200.997272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.997272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.997272 (E_RNA)
where:
Base-Base interactions energy: -123.309
where: short stacking energy: -64.966
Base-Backbone interact. energy: -0.002
local terms energy: -77.685404
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -21.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -184.136191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.136191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.136191 (E_RNA)
where:
Base-Base interactions energy: -112.678
where: short stacking energy: -61.788
Base-Backbone interact. energy: -0.106
local terms energy: -71.352520
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -15.984
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: 8
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -166.712873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.712873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.712873 (E_RNA)
where:
Base-Base interactions energy: -97.937
where: short stacking energy: -53.361
Base-Backbone interact. energy: 0.034
local terms energy: -68.810111
where:
bonds (distance) C4'-P energy: -9.755
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -12.587
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: 7
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -98.613647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.613647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.613647 (E_RNA)
where:
Base-Base interactions energy: -41.397
where: short stacking energy: -40.524
Base-Backbone interact. energy: -0.012
local terms energy: -57.205258
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -5.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -147.540041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.540041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.540041 (E_RNA)
where:
Base-Base interactions energy: -90.918
where: short stacking energy: -49.103
Base-Backbone interact. energy: -0.109
local terms energy: -56.512501
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -8.952
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -9.286
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: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -95.083082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.083082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.083082 (E_RNA)
where:
Base-Base interactions energy: -50.991
where: short stacking energy: -47.505
Base-Backbone interact. energy: -0.070
local terms energy: -44.022009
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -3.876
tors. eta vs tors. theta energy: -6.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -84.476556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.476556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.476556 (E_RNA)
where:
Base-Base interactions energy: -31.493
where: short stacking energy: -31.476
Base-Backbone interact. energy: -0.275
local terms energy: -52.709452
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -10.353
flat angles P-C4'-P energy: -5.912
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: 9, replica: 2
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -74.857137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.857137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.857137 (E_RNA)
where:
Base-Base interactions energy: -29.596
where: short stacking energy: -29.596
Base-Backbone interact. energy: -0.750
local terms energy: -44.510553
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -9.715
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: -2.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -76.439473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.439473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.439473 (E_RNA)
where:
Base-Base interactions energy: -35.975
where: short stacking energy: -27.299
Base-Backbone interact. energy: -0.345
local terms energy: -40.118783
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -4.600
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: -1.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -196.272450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.272450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.272450 (E_RNA)
where:
Base-Base interactions energy: -124.191
where: short stacking energy: -67.521
Base-Backbone interact. energy: -1.728
local terms energy: -70.353360
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -7.094
tors. eta vs tors. theta energy: -18.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -183.795271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.795271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.795271 (E_RNA)
where:
Base-Base interactions energy: -111.740
where: short stacking energy: -69.609
Base-Backbone interact. energy: -0.003
local terms energy: -72.051997
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -19.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -194.293454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.293454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.293454 (E_RNA)
where:
Base-Base interactions energy: -121.811
where: short stacking energy: -66.763
Base-Backbone interact. energy: -0.008
local terms energy: -72.474070
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -18.093
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: 4, replica: 8
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -179.527725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.527725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.527725 (E_RNA)
where:
Base-Base interactions energy: -111.457
where: short stacking energy: -49.104
Base-Backbone interact. energy: -0.209
local terms energy: -67.861414
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -12.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -111.413737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.413737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.413737 (E_RNA)
where:
Base-Base interactions energy: -50.447
where: short stacking energy: -49.504
Base-Backbone interact. energy: -0.110
local terms energy: -60.856594
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -3.660
tors. eta vs tors. theta energy: -10.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -154.739138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.739138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.739138 (E_RNA)
where:
Base-Base interactions energy: -103.749
where: short stacking energy: -48.937
Base-Backbone interact. energy: -0.406
local terms energy: -50.583795
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -4.557
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: 7, replica: 10
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -103.604133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.604133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.604133 (E_RNA)
where:
Base-Base interactions energy: -41.799
where: short stacking energy: -41.799
Base-Backbone interact. energy: -0.041
local terms energy: -61.764663
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -7.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -86.400426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.400426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.400426 (E_RNA)
where:
Base-Base interactions energy: -36.366
where: short stacking energy: -34.236
Base-Backbone interact. energy: -0.104
local terms energy: -49.930565
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: 1.523
tors. eta vs tors. theta energy: -3.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -92.265076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.265076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.265076 (E_RNA)
where:
Base-Base interactions energy: -42.934
where: short stacking energy: -32.362
Base-Backbone interact. energy: 1.003
local terms energy: -50.334187
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -9.003
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -75.449760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.449760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.449760 (E_RNA)
where:
Base-Base interactions energy: -22.458
where: short stacking energy: -19.381
Base-Backbone interact. energy: -0.528
local terms energy: -52.463178
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -10.722
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -1.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -187.906637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.906637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.906637 (E_RNA)
where:
Base-Base interactions energy: -114.749
where: short stacking energy: -62.261
Base-Backbone interact. energy: -0.049
local terms energy: -73.108693
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -16.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -194.944868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.944868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.944868 (E_RNA)
where:
Base-Base interactions energy: -125.955
where: short stacking energy: -60.402
Base-Backbone interact. energy: -0.015
local terms energy: -68.974495
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -12.908
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: 102
Temperature: 1.000000
Total energy: -187.056664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.056664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.056664 (E_RNA)
where:
Base-Base interactions energy: -110.759
where: short stacking energy: -63.483
Base-Backbone interact. energy: -0.007
local terms energy: -76.291364
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -16.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -160.419674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.419674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.419674 (E_RNA)
where:
Base-Base interactions energy: -95.012
where: short stacking energy: -47.304
Base-Backbone interact. energy: -0.300
local terms energy: -65.107927
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -12.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -179.547719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.547719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.547719 (E_RNA)
where:
Base-Base interactions energy: -106.398
where: short stacking energy: -62.026
Base-Backbone interact. energy: -0.004
local terms energy: -73.145615
where:
bonds (distance) C4'-P energy: -11.791
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -15.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -109.320689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.320689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.320689 (E_RNA)
where:
Base-Base interactions energy: -46.563
where: short stacking energy: -40.707
Base-Backbone interact. energy: -0.973
local terms energy: -61.785260
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -8.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -110.448960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.448960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.448960 (E_RNA)
where:
Base-Base interactions energy: -55.776
where: short stacking energy: -28.783
Base-Backbone interact. energy: -0.211
local terms energy: -54.461777
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -2.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -85.725943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.725943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.725943 (E_RNA)
where:
Base-Base interactions energy: -32.140
where: short stacking energy: -32.140
Base-Backbone interact. energy: -0.008
local terms energy: -53.577743
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -10.245
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -4.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -93.852824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.852824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.852824 (E_RNA)
where:
Base-Base interactions energy: -38.526
where: short stacking energy: -32.337
Base-Backbone interact. energy: -0.013
local terms energy: -55.314238
where:
bonds (distance) C4'-P energy: -5.786
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -7.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -74.750330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.750330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.750330 (E_RNA)
where:
Base-Base interactions energy: -22.916
where: short stacking energy: -22.075
Base-Backbone interact. energy: -0.047
local terms energy: -51.787251
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -10.537
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: 0.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -180.331511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.331511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.331511 (E_RNA)
where:
Base-Base interactions energy: -109.900
where: short stacking energy: -60.497
Base-Backbone interact. energy: 1.142
local terms energy: -71.573953
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -11.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -185.518733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.518733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.518733 (E_RNA)
where:
Base-Base interactions energy: -120.075
where: short stacking energy: -68.085
Base-Backbone interact. energy: -0.103
local terms energy: -65.341127
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -10.100
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -6.142
tors. eta vs tors. theta energy: -19.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -168.174940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.174940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.174940 (E_RNA)
where:
Base-Base interactions energy: -103.041
where: short stacking energy: -51.222
Base-Backbone interact. energy: -0.054
local terms energy: -65.079681
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -10.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -191.443552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.443552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.443552 (E_RNA)
where:
Base-Base interactions energy: -118.613
where: short stacking energy: -68.000
Base-Backbone interact. energy: -0.496
local terms energy: -72.334994
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -17.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -143.463105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.463105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.463105 (E_RNA)
where:
Base-Base interactions energy: -82.603
where: short stacking energy: -42.216
Base-Backbone interact. energy: -0.111
local terms energy: -60.749576
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -9.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -89.231543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.231543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.231543 (E_RNA)
where:
Base-Base interactions energy: -31.810
where: short stacking energy: -31.810
Base-Backbone interact. energy: -0.106
local terms energy: -57.315545
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -0.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -101.981601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.981601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.981601 (E_RNA)
where:
Base-Base interactions energy: -48.520
where: short stacking energy: -48.203
Base-Backbone interact. energy: -0.384
local terms energy: -53.077421
where:
bonds (distance) C4'-P energy: -7.533
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -7.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -98.389364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.389364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.389364 (E_RNA)
where:
Base-Base interactions energy: -43.630
where: short stacking energy: -43.630
Base-Backbone interact. energy: -0.013
local terms energy: -54.746358
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -8.564
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -8.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -83.769343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.769343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.769343 (E_RNA)
where:
Base-Base interactions energy: -32.202
where: short stacking energy: -24.335
Base-Backbone interact. energy: -1.159
local terms energy: -50.408210
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -10.247
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -1.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -73.124763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.124763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.124763 (E_RNA)
where:
Base-Base interactions energy: -25.036
where: short stacking energy: -15.483
Base-Backbone interact. energy: -0.663
local terms energy: -47.425215
where:
bonds (distance) C4'-P energy: -9.638
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -8.253
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: 1, replica: 9
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -197.133322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.133322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.133322 (E_RNA)
where:
Base-Base interactions energy: -123.122
where: short stacking energy: -68.692
Base-Backbone interact. energy: -0.090
local terms energy: -73.921310
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -21.320
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: 2, replica: 3
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -171.740683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.740683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.740683 (E_RNA)
where:
Base-Base interactions energy: -102.872
where: short stacking energy: -51.921
Base-Backbone interact. energy: -1.221
local terms energy: -67.647825
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -17.639
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -11.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -184.033865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.033865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.033865 (E_RNA)
where:
Base-Base interactions energy: -114.087
where: short stacking energy: -60.132
Base-Backbone interact. energy: 0.612
local terms energy: -70.558749
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -10.595
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -15.514
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: 104
Temperature: 1.050000
Total energy: -150.837009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.837009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.837009 (E_RNA)
where:
Base-Base interactions energy: -88.816
where: short stacking energy: -41.875
Base-Backbone interact. energy: -0.151
local terms energy: -61.869336
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -6.210
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: 8
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -195.352821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.352821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.352821 (E_RNA)
where:
Base-Base interactions energy: -129.710
where: short stacking energy: -60.401
Base-Backbone interact. energy: -1.426
local terms energy: -64.217211
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -4.080
tors. eta vs tors. theta energy: -15.042
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: 5
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -91.838219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.838219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.838219 (E_RNA)
where:
Base-Base interactions energy: -32.102
where: short stacking energy: -22.684
Base-Backbone interact. energy: -0.154
local terms energy: -59.582402
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -4.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -117.983847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.983847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.983847 (E_RNA)
where:
Base-Base interactions energy: -68.338
where: short stacking energy: -35.061
Base-Backbone interact. energy: 0.412
local terms energy: -50.058319
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -9.395
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -1.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -80.977200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.977200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.977200 (E_RNA)
where:
Base-Base interactions energy: -28.042
where: short stacking energy: -23.720
Base-Backbone interact. energy: -0.061
local terms energy: -52.874292
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -7.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -74.060064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.060064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.060064 (E_RNA)
where:
Base-Base interactions energy: -24.579
where: short stacking energy: -24.557
Base-Backbone interact. energy: -0.251
local terms energy: -49.230009
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -5.669
tors. eta vs tors. theta energy: -2.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -82.493229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.493229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.493229 (E_RNA)
where:
Base-Base interactions energy: -31.264
where: short stacking energy: -31.264
Base-Backbone interact. energy: -0.018
local terms energy: -51.211408
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -7.240
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -7.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -192.816990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.816990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.816990 (E_RNA)
where:
Base-Base interactions energy: -123.543
where: short stacking energy: -57.613
Base-Backbone interact. energy: 0.370
local terms energy: -69.643851
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -14.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -188.518184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.518184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.518184 (E_RNA)
where:
Base-Base interactions energy: -107.781
where: short stacking energy: -56.704
Base-Backbone interact. energy: -0.097
local terms energy: -80.640273
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -19.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -170.859597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.859597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.859597 (E_RNA)
where:
Base-Base interactions energy: -103.561
where: short stacking energy: -50.750
Base-Backbone interact. energy: -0.071
local terms energy: -67.227894
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -12.080
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: 4, replica: 8
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -177.021563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.021563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.021563 (E_RNA)
where:
Base-Base interactions energy: -99.534
where: short stacking energy: -48.356
Base-Backbone interact. energy: -0.011
local terms energy: -77.476994
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -16.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -147.933076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.933076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.933076 (E_RNA)
where:
Base-Base interactions energy: -87.481
where: short stacking energy: -43.467
Base-Backbone interact. energy: -0.217
local terms energy: -60.235682
where:
bonds (distance) C4'-P energy: -7.826
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -13.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -142.850587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.850587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.850587 (E_RNA)
where:
Base-Base interactions energy: -88.090
where: short stacking energy: -45.122
Base-Backbone interact. energy: 0.373
local terms energy: -55.134060
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -10.317
flat angles P-C4'-P energy: -8.807
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: 7, replica: 5
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -86.399268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.399268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.399268 (E_RNA)
where:
Base-Base interactions energy: -33.564
where: short stacking energy: -33.564
Base-Backbone interact. energy: -0.137
local terms energy: -52.698564
where:
bonds (distance) C4'-P energy: -9.788
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -6.397
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: 6
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -81.845583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.845583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.845583 (E_RNA)
where:
Base-Base interactions energy: -33.810
where: short stacking energy: -29.382
Base-Backbone interact. energy: 0.895
local terms energy: -48.931127
where:
bonds (distance) C4'-P energy: -10.519
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -2.503
tors. eta vs tors. theta energy: -8.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -73.835398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.835398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.835398 (E_RNA)
where:
Base-Base interactions energy: -20.185
where: short stacking energy: -19.494
Base-Backbone interact. energy: 0.386
local terms energy: -54.036624
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -11.179
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -0.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -89.640600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.640600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.640600 (E_RNA)
where:
Base-Base interactions energy: -36.200
where: short stacking energy: -31.533
Base-Backbone interact. energy: -0.882
local terms energy: -52.558592
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -2.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -201.944477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.944477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.944477 (E_RNA)
where:
Base-Base interactions energy: -125.885
where: short stacking energy: -69.502
Base-Backbone interact. energy: -0.007
local terms energy: -76.052098
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -4.467
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: 2, replica: 9
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -189.708784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.708784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.708784 (E_RNA)
where:
Base-Base interactions energy: -124.245
where: short stacking energy: -59.443
Base-Backbone interact. energy: -0.234
local terms energy: -65.229754
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -9.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -183.950507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.950507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.950507 (E_RNA)
where:
Base-Base interactions energy: -108.988
where: short stacking energy: -62.371
Base-Backbone interact. energy: -0.085
local terms energy: -74.877557
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -13.624
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: 4, replica: 3
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -167.133141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.133141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.133141 (E_RNA)
where:
Base-Base interactions energy: -101.640
where: short stacking energy: -53.098
Base-Backbone interact. energy: -0.044
local terms energy: -65.448741
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -5.679
tors. eta vs tors. theta energy: -12.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -173.846849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.846849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.846849 (E_RNA)
where:
Base-Base interactions energy: -101.132
where: short stacking energy: -47.458
Base-Backbone interact. energy: -0.017
local terms energy: -72.697899
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -16.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -117.459144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.459144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.459144 (E_RNA)
where:
Base-Base interactions energy: -61.236
where: short stacking energy: -24.693
Base-Backbone interact. energy: -1.308
local terms energy: -54.914804
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: 2.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -97.766408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.766408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.766408 (E_RNA)
where:
Base-Base interactions energy: -37.730
where: short stacking energy: -32.505
Base-Backbone interact. energy: 0.900
local terms energy: -60.936352
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -5.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -80.382380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.382380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.382380 (E_RNA)
where:
Base-Base interactions energy: -32.629
where: short stacking energy: -26.691
Base-Backbone interact. energy: -0.305
local terms energy: -47.448585
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -7.771
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: 9, replica: 10
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -74.236453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.236453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.236453 (E_RNA)
where:
Base-Base interactions energy: -29.007
where: short stacking energy: -27.490
Base-Backbone interact. energy: 0.104
local terms energy: -45.333250
where:
bonds (distance) C4'-P energy: -6.217
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: 1.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -73.260637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.260637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.260637 (E_RNA)
where:
Base-Base interactions energy: -33.924
where: short stacking energy: -30.718
Base-Backbone interact. energy: -0.137
local terms energy: -39.199767
where:
bonds (distance) C4'-P energy: -9.879
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -7.873
flat angles P-C4'-P energy: -2.157
tors. eta vs tors. theta energy: -3.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -202.324198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.324198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.324198 (E_RNA)
where:
Base-Base interactions energy: -127.843
where: short stacking energy: -65.748
Base-Backbone interact. energy: -0.011
local terms energy: -74.470152
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -18.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -184.862007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.862007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.862007 (E_RNA)
where:
Base-Base interactions energy: -117.996
where: short stacking energy: -60.206
Base-Backbone interact. energy: -0.980
local terms energy: -65.886065
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -17.693
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: 8
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -186.661066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.661066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.661066 (E_RNA)
where:
Base-Base interactions energy: -117.654
where: short stacking energy: -63.246
Base-Backbone interact. energy: -0.021
local terms energy: -68.985784
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -16.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -171.344019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.344019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.344019 (E_RNA)
where:
Base-Base interactions energy: -106.100
where: short stacking energy: -57.862
Base-Backbone interact. energy: -0.104
local terms energy: -65.140162
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -5.211
tors. eta vs tors. theta energy: -13.030
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: 3
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -170.389055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.389055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.389055 (E_RNA)
where:
Base-Base interactions energy: -102.326
where: short stacking energy: -47.282
Base-Backbone interact. energy: 0.497
local terms energy: -68.560070
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -10.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -106.757806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.757806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.757806 (E_RNA)
where:
Base-Base interactions energy: -43.226
where: short stacking energy: -30.976
Base-Backbone interact. energy: 0.227
local terms energy: -63.758417
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -12.168
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: 7, replica: 4
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -97.177675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.177675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.177675 (E_RNA)
where:
Base-Base interactions energy: -43.934
where: short stacking energy: -23.724
Base-Backbone interact. energy: 1.064
local terms energy: -54.307822
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -1.557
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: 107
Temperature: 1.250000
Total energy: -89.926835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.926835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.926835 (E_RNA)
where:
Base-Base interactions energy: -36.766
where: short stacking energy: -36.513
Base-Backbone interact. energy: 1.232
local terms energy: -54.392800
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -0.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -78.748671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.748671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.748671 (E_RNA)
where:
Base-Base interactions energy: -33.726
where: short stacking energy: -30.253
Base-Backbone interact. energy: -0.108
local terms energy: -44.915031
where:
bonds (distance) C4'-P energy: -8.506
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -9.750
flat angles P-C4'-P energy: -5.991
tors. eta vs tors. theta energy: -5.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -83.103994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.103994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.103994 (E_RNA)
where:
Base-Base interactions energy: -40.410
where: short stacking energy: -34.790
Base-Backbone interact. energy: -0.382
local terms energy: -42.312635
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -10.928
flat angles P-C4'-P energy: -2.157
tors. eta vs tors. theta energy: -1.485
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: 108
Temperature: 0.900000
Total energy: -202.806273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.806273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.806273 (E_RNA)
where:
Base-Base interactions energy: -121.623
where: short stacking energy: -69.239
Base-Backbone interact. energy: -0.074
local terms energy: -81.108411
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -18.466
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -18.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -188.859366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.859366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.859366 (E_RNA)
where:
Base-Base interactions energy: -112.144
where: short stacking energy: -69.207
Base-Backbone interact. energy: -0.201
local terms energy: -76.513823
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -18.649
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: 8
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -199.970953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.970953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.970953 (E_RNA)
where:
Base-Base interactions energy: -125.666
where: short stacking energy: -64.466
Base-Backbone interact. energy: -0.180
local terms energy: -74.124371
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -15.151
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: 4, replica: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -172.454216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.454216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.454216 (E_RNA)
where:
Base-Base interactions energy: -107.751
where: short stacking energy: -62.455
Base-Backbone interact. energy: -0.182
local terms energy: -64.520798
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -113.439681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.439681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.439681 (E_RNA)
where:
Base-Base interactions energy: -49.413
where: short stacking energy: -47.254
Base-Backbone interact. energy: -0.058
local terms energy: -63.969142
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -5.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -163.122570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.122570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.122570 (E_RNA)
where:
Base-Base interactions energy: -103.820
where: short stacking energy: -50.761
Base-Backbone interact. energy: -0.070
local terms energy: -59.232562
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -9.799
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -9.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -97.081690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.081690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.081690 (E_RNA)
where:
Base-Base interactions energy: -40.472
where: short stacking energy: -22.597
Base-Backbone interact. energy: 0.405
local terms energy: -57.014889
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -10.883
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -1.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -87.665868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.665868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.665868 (E_RNA)
where:
Base-Base interactions energy: -35.286
where: short stacking energy: -30.254
Base-Backbone interact. energy: -0.150
local terms energy: -52.229772
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -9.306
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: 7
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -89.013599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.013599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.013599 (E_RNA)
where:
Base-Base interactions energy: -41.102
where: short stacking energy: -32.252
Base-Backbone interact. energy: -0.161
local terms energy: -47.750737
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -7.259
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -5.788
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: 10, replica: 5
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -74.969190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.969190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.969190 (E_RNA)
where:
Base-Base interactions energy: -31.789
where: short stacking energy: -18.533
Base-Backbone interact. energy: -0.455
local terms energy: -42.725320
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -11.028
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: 2.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -197.196805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.196805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.196805 (E_RNA)
where:
Base-Base interactions energy: -115.485
where: short stacking energy: -63.478
Base-Backbone interact. energy: -0.014
local terms energy: -81.697799
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -19.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -183.827945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.827945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.827945 (E_RNA)
where:
Base-Base interactions energy: -109.110
where: short stacking energy: -60.172
Base-Backbone interact. energy: -0.122
local terms energy: -74.596500
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -18.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -196.483604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.483604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.483604 (E_RNA)
where:
Base-Base interactions energy: -133.004
where: short stacking energy: -63.164
Base-Backbone interact. energy: -0.988
local terms energy: -62.491562
where:
bonds (distance) C4'-P energy: -6.654
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -11.150
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: 4, replica: 2
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -160.025900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.025900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.025900 (E_RNA)
where:
Base-Base interactions energy: -96.886
where: short stacking energy: -54.761
Base-Backbone interact. energy: -0.054
local terms energy: -63.085703
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -12.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -108.834743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.834743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.834743 (E_RNA)
where:
Base-Base interactions energy: -54.714
where: short stacking energy: -31.813
Base-Backbone interact. energy: 0.170
local terms energy: -54.290304
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -2.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -156.884500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.884500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.884500 (E_RNA)
where:
Base-Base interactions energy: -90.259
where: short stacking energy: -45.718
Base-Backbone interact. energy: -1.348
local terms energy: -65.278044
where:
bonds (distance) C4'-P energy: -6.749
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -18.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -84.875348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.875348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.875348 (E_RNA)
where:
Base-Base interactions energy: -27.552
where: short stacking energy: -27.434
Base-Backbone interact. energy: -0.102
local terms energy: -57.221964
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -1.999
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: 7
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -79.700445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.700445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.700445 (E_RNA)
where:
Base-Base interactions energy: -25.247
where: short stacking energy: -24.015
Base-Backbone interact. energy: -0.142
local terms energy: -54.311122
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -11.118
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -0.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -77.833607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.833607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.833607 (E_RNA)
where:
Base-Base interactions energy: -24.581
where: short stacking energy: -15.623
Base-Backbone interact. energy: -0.352
local terms energy: -52.900313
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -0.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -86.022300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.022300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.022300 (E_RNA)
where:
Base-Base interactions energy: -33.486
where: short stacking energy: -31.179
Base-Backbone interact. energy: -0.109
local terms energy: -52.426399
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -10.743
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -4.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -199.148038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.148038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.148038 (E_RNA)
where:
Base-Base interactions energy: -125.057
where: short stacking energy: -68.899
Base-Backbone interact. energy: -0.000
local terms energy: -74.090756
where:
bonds (distance) C4'-P energy: -12.262
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -22.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -180.877360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.877360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.877360 (E_RNA)
where:
Base-Base interactions energy: -108.946
where: short stacking energy: -52.301
Base-Backbone interact. energy: -1.037
local terms energy: -70.894478
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -13.805
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: 3, replica: 8
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -203.122149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.122149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.122149 (E_RNA)
where:
Base-Base interactions energy: -129.599
where: short stacking energy: -72.325
Base-Backbone interact. energy: -0.044
local terms energy: -73.479397
where:
bonds (distance) C4'-P energy: -10.759
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -20.515
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: 2
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -151.764651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.764651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.764651 (E_RNA)
where:
Base-Base interactions energy: -90.274
where: short stacking energy: -44.919
Base-Backbone interact. energy: -0.146
local terms energy: -61.344169
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -11.292
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -6.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -172.666287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.666287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.666287 (E_RNA)
where:
Base-Base interactions energy: -108.745
where: short stacking energy: -53.200
Base-Backbone interact. energy: -0.315
local terms energy: -63.606699
where:
bonds (distance) C4'-P energy: -9.051
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -16.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -106.564085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.564085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.564085 (E_RNA)
where:
Base-Base interactions energy: -56.857
where: short stacking energy: -38.385
Base-Backbone interact. energy: -0.356
local terms energy: -49.351556
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -4.526
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -9.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -99.135128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.135128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.135128 (E_RNA)
where:
Base-Base interactions energy: -40.130
where: short stacking energy: -38.004
Base-Backbone interact. energy: -0.095
local terms energy: -58.910366
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -9.864
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -8.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -82.269063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.269063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.269063 (E_RNA)
where:
Base-Base interactions energy: -32.111
where: short stacking energy: -32.111
Base-Backbone interact. energy: -0.149
local terms energy: -50.008754
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -5.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -79.656233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.656233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.656233 (E_RNA)
where:
Base-Base interactions energy: -26.850
where: short stacking energy: -25.306
Base-Backbone interact. energy: -1.127
local terms energy: -51.679808
where:
bonds (distance) C4'-P energy: -8.459
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -7.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -65.294545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.294545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.294545 (E_RNA)
where:
Base-Base interactions energy: -26.049
where: short stacking energy: -26.049
Base-Backbone interact. energy: -0.110
local terms energy: -39.135840
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -0.480
flat angles P-C4'-P energy: -5.435
tors. eta vs tors. theta energy: -6.862
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: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -193.858345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.858345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.858345 (E_RNA)
where:
Base-Base interactions energy: -119.269
where: short stacking energy: -67.497
Base-Backbone interact. energy: -0.048
local terms energy: -74.541483
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -19.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -179.469713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.469713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.469713 (E_RNA)
where:
Base-Base interactions energy: -103.265
where: short stacking energy: -56.676
Base-Backbone interact. energy: -0.518
local terms energy: -75.687469
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -16.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -189.106505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.106505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.106505 (E_RNA)
where:
Base-Base interactions energy: -116.063
where: short stacking energy: -63.963
Base-Backbone interact. energy: -0.015
local terms energy: -73.028024
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -19.894
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: 3
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -165.397240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.397240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.397240 (E_RNA)
where:
Base-Base interactions energy: -109.771
where: short stacking energy: -62.373
Base-Backbone interact. energy: -0.100
local terms energy: -55.526198
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -8.045
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -10.273
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: 2
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -166.143021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.143021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.143021 (E_RNA)
where:
Base-Base interactions energy: -103.706
where: short stacking energy: -55.073
Base-Backbone interact. energy: -0.118
local terms energy: -62.319175
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -10.435
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -13.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -90.122319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.122319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.122319 (E_RNA)
where:
Base-Base interactions energy: -39.232
where: short stacking energy: -36.996
Base-Backbone interact. energy: -0.102
local terms energy: -50.789110
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -2.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -91.109241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.109241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.109241 (E_RNA)
where:
Base-Base interactions energy: -35.613
where: short stacking energy: -27.853
Base-Backbone interact. energy: -0.042
local terms energy: -55.453570
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -8.288
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: 8, replica: 5
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -82.364517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.364517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.364517 (E_RNA)
where:
Base-Base interactions energy: -31.010
where: short stacking energy: -28.731
Base-Backbone interact. energy: -0.169
local terms energy: -51.186072
where:
bonds (distance) C4'-P energy: -11.148
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -4.930
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: 10
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -78.750032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.750032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.750032 (E_RNA)
where:
Base-Base interactions energy: -33.171
where: short stacking energy: -29.035
Base-Backbone interact. energy: -0.143
local terms energy: -45.435584
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -8.611
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -2.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -77.319056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.319056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.319056 (E_RNA)
where:
Base-Base interactions energy: -26.418
where: short stacking energy: -26.418
Base-Backbone interact. energy: -0.224
local terms energy: -50.677883
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -1.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -205.464413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.464413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.464413 (E_RNA)
where:
Base-Base interactions energy: -128.926
where: short stacking energy: -68.746
Base-Backbone interact. energy: -0.006
local terms energy: -76.532374
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -19.734
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: 8
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -200.410981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.410981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.410981 (E_RNA)
where:
Base-Base interactions energy: -116.585
where: short stacking energy: -60.533
Base-Backbone interact. energy: -0.001
local terms energy: -83.824701
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -19.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -177.356748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.356748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.356748 (E_RNA)
where:
Base-Base interactions energy: -115.022
where: short stacking energy: -58.086
Base-Backbone interact. energy: -0.149
local terms energy: -62.186106
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -10.934
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: 4, replica: 9
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -186.355339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.355339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.355339 (E_RNA)
where:
Base-Base interactions energy: -113.276
where: short stacking energy: -59.310
Base-Backbone interact. energy: -0.002
local terms energy: -73.077456
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -17.043
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: 5, replica: 2
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -169.636665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.636665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.636665 (E_RNA)
where:
Base-Base interactions energy: -100.426
where: short stacking energy: -54.842
Base-Backbone interact. energy: -0.712
local terms energy: -68.499490
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -10.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -95.190801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.190801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.190801 (E_RNA)
where:
Base-Base interactions energy: -35.596
where: short stacking energy: -28.956
Base-Backbone interact. energy: -0.482
local terms energy: -59.112779
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -7.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -82.987002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.987002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.987002 (E_RNA)
where:
Base-Base interactions energy: -30.268
where: short stacking energy: -30.268
Base-Backbone interact. energy: 0.639
local terms energy: -53.357959
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -5.588
tors. eta vs tors. theta energy: -6.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -77.322878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.322878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.322878 (E_RNA)
where:
Base-Base interactions energy: -25.357
where: short stacking energy: -19.094
Base-Backbone interact. energy: -0.195
local terms energy: -51.770498
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -0.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -104.066244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.066244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.066244 (E_RNA)
where:
Base-Base interactions energy: -59.507
where: short stacking energy: -36.740
Base-Backbone interact. energy: 1.295
local terms energy: -45.854695
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -10.948
flat angles C4'-P-C4' energy: -8.474
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -4.537
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: 112
Temperature: 1.350000
Total energy: -89.699464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.699464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.699464 (E_RNA)
where:
Base-Base interactions energy: -33.881
where: short stacking energy: -33.881
Base-Backbone interact. energy: -0.066
local terms energy: -55.752666
where:
bonds (distance) C4'-P energy: -10.539
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -7.534
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: 1
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -204.612572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.612572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.612572 (E_RNA)
where:
Base-Base interactions energy: -129.634
where: short stacking energy: -61.504
Base-Backbone interact. energy: -0.604
local terms energy: -74.374681
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -19.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -192.678829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.678829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.678829 (E_RNA)
where:
Base-Base interactions energy: -120.289
where: short stacking energy: -64.313
Base-Backbone interact. energy: -0.052
local terms energy: -72.337659
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -16.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -186.693587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.693587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.693587 (E_RNA)
where:
Base-Base interactions energy: -117.917
where: short stacking energy: -61.962
Base-Backbone interact. energy: 0.411
local terms energy: -69.187962
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -10.505
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -18.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -181.473905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.473905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.473905 (E_RNA)
where:
Base-Base interactions energy: -110.143
where: short stacking energy: -58.010
Base-Backbone interact. energy: -0.113
local terms energy: -71.218120
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -17.420
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: 5, replica: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -172.113582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.113582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.113582 (E_RNA)
where:
Base-Base interactions energy: -108.171
where: short stacking energy: -62.974
Base-Backbone interact. energy: 0.317
local terms energy: -64.258900
where:
bonds (distance) C4'-P energy: -10.672
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -14.873
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: 6
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -100.191992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.191992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.191992 (E_RNA)
where:
Base-Base interactions energy: -42.232
where: short stacking energy: -41.917
Base-Backbone interact. energy: 1.800
local terms energy: -59.760607
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -12.432
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -4.706
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: 7
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -96.187352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.187352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.187352 (E_RNA)
where:
Base-Base interactions energy: -48.541
where: short stacking energy: -26.650
Base-Backbone interact. energy: 0.278
local terms energy: -47.924737
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -5.192
tors. eta vs tors. theta energy: -1.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -87.318878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.318878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.318878 (E_RNA)
where:
Base-Base interactions energy: -27.485
where: short stacking energy: -20.595
Base-Backbone interact. energy: -0.933
local terms energy: -58.900845
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -9.489
flat angles C4'-P-C4' energy: -18.176
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -5.262
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: 4
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -97.353105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.353105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.353105 (E_RNA)
where:
Base-Base interactions energy: -51.975
where: short stacking energy: -27.890
Base-Backbone interact. energy: -0.160
local terms energy: -45.219046
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -10.154
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -6.120
tors. eta vs tors. theta energy: -4.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -75.052833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.052833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.052833 (E_RNA)
where:
Base-Base interactions energy: -24.952
where: short stacking energy: -21.335
Base-Backbone interact. energy: -0.289
local terms energy: -49.812668
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -2.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -204.682070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.682070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.682070 (E_RNA)
where:
Base-Base interactions energy: -131.582
where: short stacking energy: -54.984
Base-Backbone interact. energy: 0.890
local terms energy: -73.989894
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -14.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -190.741843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.741843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.741843 (E_RNA)
where:
Base-Base interactions energy: -119.126
where: short stacking energy: -62.003
Base-Backbone interact. energy: -0.742
local terms energy: -70.874488
where:
bonds (distance) C4'-P energy: -9.100
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -15.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -171.097481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.097481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.097481 (E_RNA)
where:
Base-Base interactions energy: -99.096
where: short stacking energy: -59.721
Base-Backbone interact. energy: -0.547
local terms energy: -71.455184
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -14.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -187.325608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.325608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.325608 (E_RNA)
where:
Base-Base interactions energy: -125.838
where: short stacking energy: -59.092
Base-Backbone interact. energy: 0.487
local terms energy: -61.974024
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: -11.152
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: 2
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -162.131416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.131416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.131416 (E_RNA)
where:
Base-Base interactions energy: -100.952
where: short stacking energy: -46.828
Base-Backbone interact. energy: -0.458
local terms energy: -60.721190
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -10.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -102.472695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.472695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.472695 (E_RNA)
where:
Base-Base interactions energy: -39.358
where: short stacking energy: -39.358
Base-Backbone interact. energy: -0.015
local terms energy: -63.100328
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -8.286
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: 5
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -86.777559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.777559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.777559 (E_RNA)
where:
Base-Base interactions energy: -28.479
where: short stacking energy: -28.479
Base-Backbone interact. energy: 2.214
local terms energy: -60.513093
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -4.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -93.416250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.416250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.416250 (E_RNA)
where:
Base-Base interactions energy: -38.245
where: short stacking energy: -30.304
Base-Backbone interact. energy: -0.358
local terms energy: -54.812998
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -3.818
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: 10
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -79.823266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.823266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.823266 (E_RNA)
where:
Base-Base interactions energy: -27.540
where: short stacking energy: -27.540
Base-Backbone interact. energy: -0.118
local terms energy: -52.164629
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -7.275
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: 10, replica: 4
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -79.300339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.300339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.300339 (E_RNA)
where:
Base-Base interactions energy: -33.056
where: short stacking energy: -30.363
Base-Backbone interact. energy: 0.709
local terms energy: -46.953545
where:
bonds (distance) C4'-P energy: -7.714
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -4.051
tors. eta vs tors. theta energy: -2.781
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: 115
Temperature: 0.900000
Total energy: -211.755978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.755978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.755978 (E_RNA)
where:
Base-Base interactions energy: -132.308
where: short stacking energy: -70.281
Base-Backbone interact. energy: -0.167
local terms energy: -79.280437
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -20.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -178.355268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.355268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.355268 (E_RNA)
where:
Base-Base interactions energy: -103.572
where: short stacking energy: -57.012
Base-Backbone interact. energy: -0.926
local terms energy: -73.857228
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -14.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -181.124979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.124979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.124979 (E_RNA)
where:
Base-Base interactions energy: -116.985
where: short stacking energy: -59.604
Base-Backbone interact. energy: -0.185
local terms energy: -63.954447
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -9.937
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -16.089
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: 2
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -167.201725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.201725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.201725 (E_RNA)
where:
Base-Base interactions energy: -104.914
where: short stacking energy: -55.740
Base-Backbone interact. energy: -0.243
local terms energy: -62.045430
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -11.902
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: 5, replica: 9
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -175.345081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.345081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.345081 (E_RNA)
where:
Base-Base interactions energy: -116.034
where: short stacking energy: -55.551
Base-Backbone interact. energy: -1.097
local terms energy: -58.213736
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -8.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -104.543861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.543861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.543861 (E_RNA)
where:
Base-Base interactions energy: -40.944
where: short stacking energy: -31.992
Base-Backbone interact. energy: -1.306
local terms energy: -62.293161
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -9.049
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: 6
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -91.973468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.973468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.973468 (E_RNA)
where:
Base-Base interactions energy: -36.974
where: short stacking energy: -26.785
Base-Backbone interact. energy: -0.009
local terms energy: -54.990937
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -124.772014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.772014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.772014 (E_RNA)
where:
Base-Base interactions energy: -73.209
where: short stacking energy: -36.847
Base-Backbone interact. energy: -0.154
local terms energy: -51.408860
where:
bonds (distance) C4'-P energy: -8.252
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -11.371
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: 10
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -83.716717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.716717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.716717 (E_RNA)
where:
Base-Base interactions energy: -30.379
where: short stacking energy: -24.619
Base-Backbone interact. energy: -1.030
local terms energy: -52.307205
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -11.043
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -5.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -90.475160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.475160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.475160 (E_RNA)
where:
Base-Base interactions energy: -42.109
where: short stacking energy: -32.247
Base-Backbone interact. energy: -0.553
local terms energy: -47.813726
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -3.000
tors. eta vs tors. theta energy: -4.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -179.873021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.873021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.873021 (E_RNA)
where:
Base-Base interactions energy: -111.755
where: short stacking energy: -53.779
Base-Backbone interact. energy: -0.083
local terms energy: -68.035536
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -13.600
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: 1
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -195.045301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.045301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.045301 (E_RNA)
where:
Base-Base interactions energy: -119.607
where: short stacking energy: -60.445
Base-Backbone interact. energy: -0.296
local terms energy: -75.142213
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -18.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -174.378311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.378311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.378311 (E_RNA)
where:
Base-Base interactions energy: -107.042
where: short stacking energy: -49.752
Base-Backbone interact. energy: -0.072
local terms energy: -67.263735
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -10.218
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: 2
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -162.725329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.725329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.725329 (E_RNA)
where:
Base-Base interactions energy: -91.196
where: short stacking energy: -55.677
Base-Backbone interact. energy: -0.002
local terms energy: -71.527791
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -17.568
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -11.364
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: 116
Temperature: 1.100000
Total energy: -163.223291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.223291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.223291 (E_RNA)
where:
Base-Base interactions energy: -101.616
where: short stacking energy: -51.234
Base-Backbone interact. energy: -0.032
local terms energy: -61.575355
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -8.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -83.781463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.781463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.781463 (E_RNA)
where:
Base-Base interactions energy: -32.895
where: short stacking energy: -29.329
Base-Backbone interact. energy: -0.093
local terms energy: -50.793158
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: 4.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -125.250836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.250836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.250836 (E_RNA)
where:
Base-Base interactions energy: -79.504
where: short stacking energy: -45.108
Base-Backbone interact. energy: -1.249
local terms energy: -44.497675
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -7.188
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -2.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -114.901498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.901498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.901498 (E_RNA)
where:
Base-Base interactions energy: -65.604
where: short stacking energy: -36.522
Base-Backbone interact. energy: -1.191
local terms energy: -48.107007
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -0.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -73.825426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.825426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.825426 (E_RNA)
where:
Base-Base interactions energy: -26.273
where: short stacking energy: -26.273
Base-Backbone interact. energy: -0.350
local terms energy: -47.201756
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -0.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -80.506258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.506258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.506258 (E_RNA)
where:
Base-Base interactions energy: -32.475
where: short stacking energy: -22.008
Base-Backbone interact. energy: -0.309
local terms energy: -47.721728
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -18.088
flat angles C4'-P-C4' energy: -9.664
flat angles P-C4'-P energy: -3.692
tors. eta vs tors. theta energy: -2.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -187.799417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.799417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.799417 (E_RNA)
where:
Base-Base interactions energy: -111.494
where: short stacking energy: -59.040
Base-Backbone interact. energy: -0.063
local terms energy: -76.242627
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -13.982
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: 8
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -200.830315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.830315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.830315 (E_RNA)
where:
Base-Base interactions energy: -127.927
where: short stacking energy: -67.702
Base-Backbone interact. energy: -0.040
local terms energy: -72.863737
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -18.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -198.140528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.140528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.140528 (E_RNA)
where:
Base-Base interactions energy: -121.851
where: short stacking energy: -60.843
Base-Backbone interact. energy: -0.585
local terms energy: -75.704592
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -21.855
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: 9
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -177.213449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.213449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.213449 (E_RNA)
where:
Base-Base interactions energy: -109.967
where: short stacking energy: -59.517
Base-Backbone interact. energy: -0.966
local terms energy: -66.280922
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -14.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -163.731885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.731885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.731885 (E_RNA)
where:
Base-Base interactions energy: -99.889
where: short stacking energy: -52.875
Base-Backbone interact. energy: -0.016
local terms energy: -63.826845
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: -15.183
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: 6, replica: 7
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -104.679818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.679818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.679818 (E_RNA)
where:
Base-Base interactions energy: -45.019
where: short stacking energy: -36.901
Base-Backbone interact. energy: -0.710
local terms energy: -58.950688
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -10.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -94.287216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.287216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.287216 (E_RNA)
where:
Base-Base interactions energy: -35.348
where: short stacking energy: -35.348
Base-Backbone interact. energy: -0.100
local terms energy: -58.839684
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -8.998
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -8.906
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: 8, replica: 4
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -86.002507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.002507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.002507 (E_RNA)
where:
Base-Base interactions energy: -23.900
where: short stacking energy: -21.067
Base-Backbone interact. energy: -0.083
local terms energy: -62.019947
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -3.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -124.691218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.691218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.691218 (E_RNA)
where:
Base-Base interactions energy: -64.361
where: short stacking energy: -38.040
Base-Backbone interact. energy: -0.081
local terms energy: -60.249559
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -6.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -77.413575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.413575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.413575 (E_RNA)
where:
Base-Base interactions energy: -27.238
where: short stacking energy: -27.238
Base-Backbone interact. energy: -0.002
local terms energy: -50.173664
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -9.801
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -5.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -198.700436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.700436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.700436 (E_RNA)
where:
Base-Base interactions energy: -117.445
where: short stacking energy: -62.698
Base-Backbone interact. energy: -0.052
local terms energy: -81.203405
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -18.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -180.337250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.337250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.337250 (E_RNA)
where:
Base-Base interactions energy: -109.935
where: short stacking energy: -65.756
Base-Backbone interact. energy: -1.156
local terms energy: -69.246541
where:
bonds (distance) C4'-P energy: -8.406
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -12.343
flat angles P-C4'-P energy: -14.553
tors. eta vs tors. theta energy: -19.391
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: 118
Temperature: 1.000000
Total energy: -198.017681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.017681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.017681 (E_RNA)
where:
Base-Base interactions energy: -125.103
where: short stacking energy: -72.088
Base-Backbone interact. energy: -0.003
local terms energy: -72.910803
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -21.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -178.405632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.405632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.405632 (E_RNA)
where:
Base-Base interactions energy: -106.801
where: short stacking energy: -58.167
Base-Backbone interact. energy: -0.680
local terms energy: -70.924598
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -12.799
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: 2
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -161.079307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.079307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.079307 (E_RNA)
where:
Base-Base interactions energy: -100.241
where: short stacking energy: -33.169
Base-Backbone interact. energy: -0.365
local terms energy: -60.473257
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -8.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -98.439438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.439438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.439438 (E_RNA)
where:
Base-Base interactions energy: -40.620
where: short stacking energy: -40.620
Base-Backbone interact. energy: -0.149
local terms energy: -57.670674
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -11.062
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -6.130
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: 118
Temperature: 1.200000
Total energy: -86.081434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.081434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.081434 (E_RNA)
where:
Base-Base interactions energy: -28.325
where: short stacking energy: -28.325
Base-Backbone interact. energy: -0.210
local terms energy: -57.546172
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -1.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -80.942340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.942340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.942340 (E_RNA)
where:
Base-Base interactions energy: -37.985
where: short stacking energy: -21.525
Base-Backbone interact. energy: -0.084
local terms energy: -42.873081
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -4.160
tors. eta vs tors. theta energy: -0.461
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: 10
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -76.244775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.244775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.244775 (E_RNA)
where:
Base-Base interactions energy: -35.401
where: short stacking energy: -32.529
Base-Backbone interact. energy: -0.136
local terms energy: -40.707343
where:
bonds (distance) C4'-P energy: -9.021
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -10.791
flat angles P-C4'-P energy: 0.909
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: 10, replica: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -87.889547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.889547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.889547 (E_RNA)
where:
Base-Base interactions energy: -34.571
where: short stacking energy: -27.779
Base-Backbone interact. energy: -0.019
local terms energy: -53.299884
where:
bonds (distance) C4'-P energy: -8.957
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -3.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -203.456659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.456659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.456659 (E_RNA)
where:
Base-Base interactions energy: -126.949
where: short stacking energy: -72.977
Base-Backbone interact. energy: -0.014
local terms energy: -76.494178
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -20.525
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: 2, replica: 3
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -178.702349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.702349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.702349 (E_RNA)
where:
Base-Base interactions energy: -108.753
where: short stacking energy: -63.618
Base-Backbone interact. energy: -0.642
local terms energy: -69.307775
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -16.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -192.104790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.104790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.104790 (E_RNA)
where:
Base-Base interactions energy: -118.952
where: short stacking energy: -67.362
Base-Backbone interact. energy: -0.192
local terms energy: -72.961344
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -18.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -180.430899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.430899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.430899 (E_RNA)
where:
Base-Base interactions energy: -107.851
where: short stacking energy: -57.163
Base-Backbone interact. energy: -0.653
local terms energy: -71.926573
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -12.452
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: 5, replica: 2
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -164.244005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.244005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.244005 (E_RNA)
where:
Base-Base interactions energy: -106.148
where: short stacking energy: -53.057
Base-Backbone interact. energy: 1.555
local terms energy: -59.650461
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -10.740
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -12.928
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: 4
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -90.583038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.583038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.583038 (E_RNA)
where:
Base-Base interactions energy: -42.394
where: short stacking energy: -29.799
Base-Backbone interact. energy: -0.043
local terms energy: -48.145895
where:
bonds (distance) C4'-P energy: -8.845
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -10.697
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -1.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -86.243447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.243447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.243447 (E_RNA)
where:
Base-Base interactions energy: -39.865
where: short stacking energy: -39.865
Base-Backbone interact. energy: 0.581
local terms energy: -46.960210
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -6.860
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -5.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -87.515316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.515316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.515316 (E_RNA)
where:
Base-Base interactions energy: -31.530
where: short stacking energy: -28.457
Base-Backbone interact. energy: -0.500
local terms energy: -55.484706
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -9.281
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -6.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -74.827853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.827853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.827853 (E_RNA)
where:
Base-Base interactions energy: -32.797
where: short stacking energy: -26.064
Base-Backbone interact. energy: -0.190
local terms energy: -41.841372
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -10.908
flat angles P-C4'-P energy: -1.436
tors. eta vs tors. theta energy: -2.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -71.652439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.652439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.652439 (E_RNA)
where:
Base-Base interactions energy: -25.153
where: short stacking energy: -25.153
Base-Backbone interact. energy: -0.071
local terms energy: -46.429211
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -12.776
flat angles C4'-P-C4' energy: -9.300
flat angles P-C4'-P energy: -7.488
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: 120
Temperature: 0.900000
Total energy: -177.991800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.991800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.991800 (E_RNA)
where:
Base-Base interactions energy: -105.609
where: short stacking energy: -60.802
Base-Backbone interact. energy: -0.303
local terms energy: -72.079882
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -14.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -194.930690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.930690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.930690 (E_RNA)
where:
Base-Base interactions energy: -125.447
where: short stacking energy: -69.137
Base-Backbone interact. energy: -0.004
local terms energy: -69.479166
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -17.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -176.402545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.402545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.402545 (E_RNA)
where:
Base-Base interactions energy: -114.036
where: short stacking energy: -55.207
Base-Backbone interact. energy: -0.113
local terms energy: -62.253993
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -11.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -188.577189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.577189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.577189 (E_RNA)
where:
Base-Base interactions energy: -114.764
where: short stacking energy: -63.446
Base-Backbone interact. energy: -0.272
local terms energy: -73.541229
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -19.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -162.209476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.209476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.209476 (E_RNA)
where:
Base-Base interactions energy: -96.379
where: short stacking energy: -53.942
Base-Backbone interact. energy: -0.014
local terms energy: -65.816049
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -11.654
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: 4
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -84.515964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.515964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.515964 (E_RNA)
where:
Base-Base interactions energy: -32.605
where: short stacking energy: -29.484
Base-Backbone interact. energy: 0.723
local terms energy: -52.634411
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -11.003
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -0.592
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: 5
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -93.610510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.610510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.610510 (E_RNA)
where:
Base-Base interactions energy: -36.389
where: short stacking energy: -28.221
Base-Backbone interact. energy: 1.248
local terms energy: -58.469567
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -2.080
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: 7
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -80.366080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.366080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.366080 (E_RNA)
where:
Base-Base interactions energy: -31.949
where: short stacking energy: -31.949
Base-Backbone interact. energy: -0.163
local terms energy: -48.254407
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -7.137
tors. eta vs tors. theta energy: -1.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -83.445448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.445448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.445448 (E_RNA)
where:
Base-Base interactions energy: -40.360
where: short stacking energy: -31.246
Base-Backbone interact. energy: -0.067
local terms energy: -43.018828
where:
bonds (distance) C4'-P energy: -9.897
bonds (distance) P-C4' energy: -10.437
flat angles C4'-P-C4' energy: -8.921
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -4.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -78.120057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.120057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.120057 (E_RNA)
where:
Base-Base interactions energy: -23.840
where: short stacking energy: -22.961
Base-Backbone interact. energy: -0.347
local terms energy: -53.933252
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -3.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -185.483356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.483356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.483356 (E_RNA)
where:
Base-Base interactions energy: -110.713
where: short stacking energy: -61.486
Base-Backbone interact. energy: -0.153
local terms energy: -74.617182
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -18.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -204.567127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.567127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.567127 (E_RNA)
where:
Base-Base interactions energy: -133.106
where: short stacking energy: -62.546
Base-Backbone interact. energy: -0.200
local terms energy: -71.261761
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -12.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -172.016588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.016588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.016588 (E_RNA)
where:
Base-Base interactions energy: -111.170
where: short stacking energy: -46.973
Base-Backbone interact. energy: -0.138
local terms energy: -60.708920
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -5.881
tors. eta vs tors. theta energy: -10.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -166.806729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.806729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.806729 (E_RNA)
where:
Base-Base interactions energy: -94.285
where: short stacking energy: -58.964
Base-Backbone interact. energy: -0.129
local terms energy: -72.392883
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -16.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -169.570493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.570493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.570493 (E_RNA)
where:
Base-Base interactions energy: -109.181
where: short stacking energy: -50.589
Base-Backbone interact. energy: -0.423
local terms energy: -59.966569
where:
bonds (distance) C4'-P energy: -10.168
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -11.885
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: 5
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -99.982586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.982586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.982586 (E_RNA)
where:
Base-Base interactions energy: -45.596
where: short stacking energy: -40.846
Base-Backbone interact. energy: -0.078
local terms energy: -54.308917
where:
bonds (distance) C4'-P energy: -8.604
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -4.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -80.013075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.013075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.013075 (E_RNA)
where:
Base-Base interactions energy: -30.681
where: short stacking energy: -26.277
Base-Backbone interact. energy: -0.096
local terms energy: -49.236563
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -9.574
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -3.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -82.333979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.333979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.333979 (E_RNA)
where:
Base-Base interactions energy: -34.687
where: short stacking energy: -27.635
Base-Backbone interact. energy: -0.132
local terms energy: -47.515454
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -9.779
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -0.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -86.335414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.335414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.335414 (E_RNA)
where:
Base-Base interactions energy: -33.202
where: short stacking energy: -33.077
Base-Backbone interact. energy: -0.194
local terms energy: -52.939082
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -1.882
tors. eta vs tors. theta energy: -5.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -87.847990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.847990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.847990 (E_RNA)
where:
Base-Base interactions energy: -36.163
where: short stacking energy: -36.163
Base-Backbone interact. energy: -0.578
local terms energy: -51.107302
where:
bonds (distance) C4'-P energy: -6.897
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -8.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -200.145946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.145946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.145946 (E_RNA)
where:
Base-Base interactions energy: -131.581
where: short stacking energy: -55.050
Base-Backbone interact. energy: -0.521
local terms energy: -68.043844
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -10.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -170.464978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.464978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.464978 (E_RNA)
where:
Base-Base interactions energy: -96.865
where: short stacking energy: -52.408
Base-Backbone interact. energy: -0.091
local terms energy: -73.508977
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -14.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -173.044425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.044425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.044425 (E_RNA)
where:
Base-Base interactions energy: -105.490
where: short stacking energy: -59.195
Base-Backbone interact. energy: -0.071
local terms energy: -67.482708
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -6.791
tors. eta vs tors. theta energy: -15.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -176.802312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.802312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.802312 (E_RNA)
where:
Base-Base interactions energy: -109.799
where: short stacking energy: -58.783
Base-Backbone interact. energy: -0.036
local terms energy: -66.967250
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -10.287
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: 5, replica: 1
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -139.554434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.554434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.554434 (E_RNA)
where:
Base-Base interactions energy: -84.829
where: short stacking energy: -44.371
Base-Backbone interact. energy: -2.497
local terms energy: -52.228677
where:
bonds (distance) C4'-P energy: -10.270
bonds (distance) P-C4' energy: -12.049
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -8.453
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: 6, replica: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -90.253077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.253077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.253077 (E_RNA)
where:
Base-Base interactions energy: -37.948
where: short stacking energy: -37.948
Base-Backbone interact. energy: 0.230
local terms energy: -52.534475
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -2.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -90.836251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.836251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.836251 (E_RNA)
where:
Base-Base interactions energy: -32.960
where: short stacking energy: -32.960
Base-Backbone interact. energy: -1.948
local terms energy: -55.927656
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -5.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -82.954603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.954603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.954603 (E_RNA)
where:
Base-Base interactions energy: -28.956
where: short stacking energy: -28.956
Base-Backbone interact. energy: -0.144
local terms energy: -53.854542
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -9.211
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -6.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -82.466526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.466526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.466526 (E_RNA)
where:
Base-Base interactions energy: -33.866
where: short stacking energy: -29.994
Base-Backbone interact. energy: -0.700
local terms energy: -47.900823
where:
bonds (distance) C4'-P energy: -10.104
bonds (distance) P-C4' energy: -10.881
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -5.694
tors. eta vs tors. theta energy: -8.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -73.106435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.106435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.106435 (E_RNA)
where:
Base-Base interactions energy: -34.233
where: short stacking energy: -32.730
Base-Backbone interact. energy: -0.512
local terms energy: -38.361608
where:
bonds (distance) C4'-P energy: -7.823
bonds (distance) P-C4' energy: -10.004
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -5.048
tors. eta vs tors. theta energy: -3.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -204.348575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.348575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.348575 (E_RNA)
where:
Base-Base interactions energy: -123.937
where: short stacking energy: -68.519
Base-Backbone interact. energy: -0.000
local terms energy: -80.411144
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -19.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -184.135097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.135097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.135097 (E_RNA)
where:
Base-Base interactions energy: -118.935
where: short stacking energy: -64.033
Base-Backbone interact. energy: -0.149
local terms energy: -65.050777
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -13.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -168.747172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.747172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.747172 (E_RNA)
where:
Base-Base interactions energy: -104.538
where: short stacking energy: -57.054
Base-Backbone interact. energy: -0.088
local terms energy: -64.120839
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -11.513
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -11.703
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: 9
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -155.806464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.806464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.806464 (E_RNA)
where:
Base-Base interactions energy: -93.046
where: short stacking energy: -48.808
Base-Backbone interact. energy: -0.420
local terms energy: -62.340322
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -3.962
tors. eta vs tors. theta energy: -14.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -112.682328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.682328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.682328 (E_RNA)
where:
Base-Base interactions energy: -55.543
where: short stacking energy: -32.586
Base-Backbone interact. energy: 2.917
local terms energy: -60.056472
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -4.146
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: 7
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -96.805507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.805507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.805507 (E_RNA)
where:
Base-Base interactions energy: -51.102
where: short stacking energy: -29.047
Base-Backbone interact. energy: -0.489
local terms energy: -45.214850
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -5.966
tors. eta vs tors. theta energy: -1.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -92.454704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.454704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.454704 (E_RNA)
where:
Base-Base interactions energy: -36.417
where: short stacking energy: -37.217
Base-Backbone interact. energy: -0.085
local terms energy: -55.952666
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -3.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -94.584836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.584836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.584836 (E_RNA)
where:
Base-Base interactions energy: -35.203
where: short stacking energy: -34.819
Base-Backbone interact. energy: -0.005
local terms energy: -59.376648
where:
bonds (distance) C4'-P energy: -9.835
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -7.233
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: 10
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -81.815397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.815397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.815397 (E_RNA)
where:
Base-Base interactions energy: -32.796
where: short stacking energy: -18.665
Base-Backbone interact. energy: -0.300
local terms energy: -48.719805
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -8.269
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: 0.869
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: 10, replica: 6
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -83.263444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.263444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.263444 (E_RNA)
where:
Base-Base interactions energy: -34.569
where: short stacking energy: -34.569
Base-Backbone interact. energy: -0.034
local terms energy: -48.660189
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -7.143
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -3.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -200.546802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.546802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.546802 (E_RNA)
where:
Base-Base interactions energy: -127.147
where: short stacking energy: -65.069
Base-Backbone interact. energy: -0.002
local terms energy: -73.397192
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -14.608
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -14.000
tors. eta vs tors. theta energy: -15.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -196.512118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.512118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.512118 (E_RNA)
where:
Base-Base interactions energy: -118.515
where: short stacking energy: -61.551
Base-Backbone interact. energy: -0.527
local terms energy: -77.470190
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -21.353
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: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -173.830529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.830529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.830529 (E_RNA)
where:
Base-Base interactions energy: -108.277
where: short stacking energy: -59.811
Base-Backbone interact. energy: -0.005
local terms energy: -65.548940
where:
bonds (distance) C4'-P energy: -10.149
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -14.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -171.624717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.624717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.624717 (E_RNA)
where:
Base-Base interactions energy: -104.312
where: short stacking energy: -52.644
Base-Backbone interact. energy: -0.021
local terms energy: -67.292323
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: -16.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -125.029634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.029634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.029634 (E_RNA)
where:
Base-Base interactions energy: -61.686
where: short stacking energy: -38.127
Base-Backbone interact. energy: -0.110
local terms energy: -63.233996
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -9.749
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: 7
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -104.013320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.013320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.013320 (E_RNA)
where:
Base-Base interactions energy: -45.880
where: short stacking energy: -35.599
Base-Backbone interact. energy: -0.178
local terms energy: -57.955379
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -5.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -84.920175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.920175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.920175 (E_RNA)
where:
Base-Base interactions energy: -32.947
where: short stacking energy: -31.378
Base-Backbone interact. energy: -0.660
local terms energy: -51.312654
where:
bonds (distance) C4'-P energy: -8.849
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -4.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -77.660990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.660990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.660990 (E_RNA)
where:
Base-Base interactions energy: -20.759
where: short stacking energy: -16.677
Base-Backbone interact. energy: -0.149
local terms energy: -56.753102
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -5.319
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: 124
Temperature: 1.300000
Total energy: -87.023732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.023732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.023732 (E_RNA)
where:
Base-Base interactions energy: -48.007
where: short stacking energy: -37.977
Base-Backbone interact. energy: 0.099
local terms energy: -39.115047
where:
bonds (distance) C4'-P energy: -8.583
bonds (distance) P-C4' energy: -8.961
flat angles C4'-P-C4' energy: -7.630
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -5.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -72.545218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.545218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.545218 (E_RNA)
where:
Base-Base interactions energy: -20.803
where: short stacking energy: -20.803
Base-Backbone interact. energy: -0.115
local terms energy: -51.626963
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -11.737
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -2.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -209.244448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.244448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.244448 (E_RNA)
where:
Base-Base interactions energy: -129.669
where: short stacking energy: -71.944
Base-Backbone interact. energy: -0.308
local terms energy: -79.267934
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -23.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -179.432131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.432131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.432131 (E_RNA)
where:
Base-Base interactions energy: -107.440
where: short stacking energy: -63.346
Base-Backbone interact. energy: -0.100
local terms energy: -71.892510
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -13.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -194.806606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.806606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.806606 (E_RNA)
where:
Base-Base interactions energy: -123.728
where: short stacking energy: -64.385
Base-Backbone interact. energy: -0.502
local terms energy: -70.576155
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -18.529
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: 9
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -163.798178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.798178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.798178 (E_RNA)
where:
Base-Base interactions energy: -99.975
where: short stacking energy: -61.975
Base-Backbone interact. energy: -0.016
local terms energy: -63.807648
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -11.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -109.418264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.418264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.418264 (E_RNA)
where:
Base-Base interactions energy: -57.086
where: short stacking energy: -40.498
Base-Backbone interact. energy: -0.017
local terms energy: -52.315722
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -9.595
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -9.271
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: 6, replica: 5
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -131.814683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.814683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.814683 (E_RNA)
where:
Base-Base interactions energy: -71.043
where: short stacking energy: -44.114
Base-Backbone interact. energy: -0.148
local terms energy: -60.623991
where:
bonds (distance) C4'-P energy: -9.072
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -4.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -90.185287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.185287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.185287 (E_RNA)
where:
Base-Base interactions energy: -34.737
where: short stacking energy: -34.737
Base-Backbone interact. energy: -0.066
local terms energy: -55.382550
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -10.579
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -7.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -90.164328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.164328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.164328 (E_RNA)
where:
Base-Base interactions energy: -36.565
where: short stacking energy: -36.107
Base-Backbone interact. energy: -0.033
local terms energy: -53.565885
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -13.498
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -4.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -83.029599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.029599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.029599 (E_RNA)
where:
Base-Base interactions energy: -34.670
where: short stacking energy: -34.670
Base-Backbone interact. energy: -0.132
local terms energy: -48.227296
where:
bonds (distance) C4'-P energy: -10.515
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -8.593
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -6.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -73.024591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.024591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.024591 (E_RNA)
where:
Base-Base interactions energy: -27.142
where: short stacking energy: -21.949
Base-Backbone interact. energy: -0.395
local terms energy: -45.487629
where:
bonds (distance) C4'-P energy: -9.264
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: 2.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -206.158682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.158682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.158682 (E_RNA)
where:
Base-Base interactions energy: -126.016
where: short stacking energy: -71.933
Base-Backbone interact. energy: -0.002
local terms energy: -80.140327
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -17.813
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -22.446
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: 126
Temperature: 0.950000
Total energy: -176.902104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.902104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.902104 (E_RNA)
where:
Base-Base interactions energy: -109.758
where: short stacking energy: -59.182
Base-Backbone interact. energy: 0.972
local terms energy: -68.116617
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -11.881
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: 3, replica: 2
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -180.323223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.323223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.323223 (E_RNA)
where:
Base-Base interactions energy: -113.101
where: short stacking energy: -62.091
Base-Backbone interact. energy: -0.001
local terms energy: -67.221350
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -17.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -161.917177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.917177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.917177 (E_RNA)
where:
Base-Base interactions energy: -102.813
where: short stacking energy: -33.867
Base-Backbone interact. energy: -0.250
local terms energy: -58.854124
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -4.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -134.515765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.515765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.515765 (E_RNA)
where:
Base-Base interactions energy: -76.355
where: short stacking energy: -33.740
Base-Backbone interact. energy: -0.098
local terms energy: -58.063498
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -12.509
flat angles C4'-P-C4' energy: -9.928
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -8.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -128.693300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.693300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.693300 (E_RNA)
where:
Base-Base interactions energy: -65.948
where: short stacking energy: -36.058
Base-Backbone interact. energy: -0.001
local terms energy: -62.744434
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -10.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -88.269215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.269215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.269215 (E_RNA)
where:
Base-Base interactions energy: -32.708
where: short stacking energy: -25.097
Base-Backbone interact. energy: -0.457
local terms energy: -55.104181
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -4.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -79.807403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.807403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.807403 (E_RNA)
where:
Base-Base interactions energy: -30.234
where: short stacking energy: -25.264
Base-Backbone interact. energy: 0.882
local terms energy: -50.455202
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -10.364
flat angles P-C4'-P energy: -4.541
tors. eta vs tors. theta energy: -4.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -78.680441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.680441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.680441 (E_RNA)
where:
Base-Base interactions energy: -35.305
where: short stacking energy: -30.270
Base-Backbone interact. energy: -0.186
local terms energy: -43.189222
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -11.001
flat angles P-C4'-P energy: -5.658
tors. eta vs tors. theta energy: -3.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -66.086872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.086872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.086872 (E_RNA)
where:
Base-Base interactions energy: -21.189
where: short stacking energy: -21.189
Base-Backbone interact. energy: -0.193
local terms energy: -44.704371
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -10.905
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -6.150
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: 1, replica: 8
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -203.545363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.545363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.545363 (E_RNA)
where:
Base-Base interactions energy: -123.261
where: short stacking energy: -71.112
Base-Backbone interact. energy: -1.083
local terms energy: -79.200828
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -14.623
tors. eta vs tors. theta energy: -20.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -178.080881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.080881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.080881 (E_RNA)
where:
Base-Base interactions energy: -105.458
where: short stacking energy: -53.192
Base-Backbone interact. energy: -0.066
local terms energy: -72.556738
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -17.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -184.775183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.775183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.775183 (E_RNA)
where:
Base-Base interactions energy: -116.842
where: short stacking energy: -63.629
Base-Backbone interact. energy: -0.057
local terms energy: -67.876392
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -10.120
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -149.356289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.356289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.356289 (E_RNA)
where:
Base-Base interactions energy: -85.821
where: short stacking energy: -47.838
Base-Backbone interact. energy: -0.363
local terms energy: -63.172994
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -11.652
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: 5
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -128.245279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.245279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.245279 (E_RNA)
where:
Base-Base interactions energy: -71.504
where: short stacking energy: -30.358
Base-Backbone interact. energy: -0.429
local terms energy: -56.311738
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -8.335
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: 6, replica: 4
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -100.894716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.894716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.894716 (E_RNA)
where:
Base-Base interactions energy: -50.938
where: short stacking energy: -29.721
Base-Backbone interact. energy: -0.338
local terms energy: -49.618890
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -0.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -104.906148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.906148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.906148 (E_RNA)
where:
Base-Base interactions energy: -48.664
where: short stacking energy: -38.815
Base-Backbone interact. energy: -0.137
local terms energy: -56.105144
where:
bonds (distance) C4'-P energy: -9.543
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -9.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -76.830394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.830394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.830394 (E_RNA)
where:
Base-Base interactions energy: -31.344
where: short stacking energy: -28.534
Base-Backbone interact. energy: 2.086
local terms energy: -47.572283
where:
bonds (distance) C4'-P energy: -8.442
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -4.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -82.951351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.951351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.951351 (E_RNA)
where:
Base-Base interactions energy: -38.171
where: short stacking energy: -13.705
Base-Backbone interact. energy: -0.451
local terms energy: -44.329493
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -3.712
tors. eta vs tors. theta energy: 4.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -81.109586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.109586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.109586 (E_RNA)
where:
Base-Base interactions energy: -33.228
where: short stacking energy: -14.122
Base-Backbone interact. energy: 0.202
local terms energy: -48.083613
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -1.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -201.230333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.230333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.230333 (E_RNA)
where:
Base-Base interactions energy: -123.668
where: short stacking energy: -71.755
Base-Backbone interact. energy: -0.521
local terms energy: -77.041351
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -20.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -173.810881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.810881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.810881 (E_RNA)
where:
Base-Base interactions energy: -100.130
where: short stacking energy: -53.681
Base-Backbone interact. energy: -0.024
local terms energy: -73.657555
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -12.888
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: 2
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -188.369997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.369997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.369997 (E_RNA)
where:
Base-Base interactions energy: -108.357
where: short stacking energy: -62.489
Base-Backbone interact. energy: -0.020
local terms energy: -79.993231
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -19.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -187.910889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.910889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.910889 (E_RNA)
where:
Base-Base interactions energy: -113.569
where: short stacking energy: -58.066
Base-Backbone interact. energy: -0.033
local terms energy: -74.308788
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -17.129
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: 5
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -144.027298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.027298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.027298 (E_RNA)
where:
Base-Base interactions energy: -89.366
where: short stacking energy: -45.567
Base-Backbone interact. energy: 0.590
local terms energy: -55.251663
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -5.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -99.220728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.220728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.220728 (E_RNA)
where:
Base-Base interactions energy: -38.384
where: short stacking energy: -35.333
Base-Backbone interact. energy: -0.102
local terms energy: -60.734713
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -6.192
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: 1
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -81.466731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.466731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.466731 (E_RNA)
where:
Base-Base interactions energy: -31.574
where: short stacking energy: -27.707
Base-Backbone interact. energy: -0.044
local terms energy: -49.848882
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -4.564
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: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -93.321409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.321409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.321409 (E_RNA)
where:
Base-Base interactions energy: -34.878
where: short stacking energy: -32.200
Base-Backbone interact. energy: 1.100
local terms energy: -59.543145
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -4.762
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: 9, replica: 10
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -98.279337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.279337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.279337 (E_RNA)
where:
Base-Base interactions energy: -46.477
where: short stacking energy: -31.922
Base-Backbone interact. energy: -0.260
local terms energy: -51.542319
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -12.963
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -7.783
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: 10, replica: 7
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -77.816915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.816915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.816915 (E_RNA)
where:
Base-Base interactions energy: -28.163
where: short stacking energy: -28.090
Base-Backbone interact. energy: -1.448
local terms energy: -48.206777
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -5.995
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: 1, replica: 8
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -202.366450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.366450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.366450 (E_RNA)
where:
Base-Base interactions energy: -120.794
where: short stacking energy: -75.947
Base-Backbone interact. energy: -0.705
local terms energy: -80.866647
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -22.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -180.966953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.966953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.966953 (E_RNA)
where:
Base-Base interactions energy: -115.227
where: short stacking energy: -51.418
Base-Backbone interact. energy: -0.668
local terms energy: -65.071924
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -14.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -176.489383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.489383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.489383 (E_RNA)
where:
Base-Base interactions energy: -103.661
where: short stacking energy: -55.889
Base-Backbone interact. energy: -0.005
local terms energy: -72.822951
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -17.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -151.659286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.659286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.659286 (E_RNA)
where:
Base-Base interactions energy: -90.435
where: short stacking energy: -42.540
Base-Backbone interact. energy: -0.155
local terms energy: -61.069781
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -7.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -170.243944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.243944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.243944 (E_RNA)
where:
Base-Base interactions energy: -99.645
where: short stacking energy: -53.331
Base-Backbone interact. energy: -0.202
local terms energy: -70.396804
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -15.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -107.141017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.141017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.141017 (E_RNA)
where:
Base-Base interactions energy: -51.007
where: short stacking energy: -45.100
Base-Backbone interact. energy: -0.011
local terms energy: -56.122811
where:
bonds (distance) C4'-P energy: -8.013
bonds (distance) P-C4' energy: -12.075
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -11.072
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: 7, replica: 4
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -147.614191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.614191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.614191 (E_RNA)
where:
Base-Base interactions energy: -93.593
where: short stacking energy: -44.638
Base-Backbone interact. energy: -0.088
local terms energy: -53.933218
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -12.078
flat angles P-C4'-P energy: -10.171
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: 8, replica: 10
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -85.525742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.525742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.525742 (E_RNA)
where:
Base-Base interactions energy: -37.579
where: short stacking energy: -36.791
Base-Backbone interact. energy: -0.412
local terms energy: -47.534519
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -5.866
tors. eta vs tors. theta energy: -4.656
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: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -77.796149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.796149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.796149 (E_RNA)
where:
Base-Base interactions energy: -29.609
where: short stacking energy: -27.847
Base-Backbone interact. energy: 2.102
local terms energy: -50.289530
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -9.294
flat angles P-C4'-P energy: -3.425
tors. eta vs tors. theta energy: -4.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -71.117322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.117322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.117322 (E_RNA)
where:
Base-Base interactions energy: -31.559
where: short stacking energy: -24.950
Base-Backbone interact. energy: -0.048
local terms energy: -39.510375
where:
bonds (distance) C4'-P energy: -8.092
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -12.984
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: 1.613
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: 8
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -199.864257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.864257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.864257 (E_RNA)
where:
Base-Base interactions energy: -118.030
where: short stacking energy: -71.305
Base-Backbone interact. energy: -0.015
local terms energy: -81.818909
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: -22.419
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: 2
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -188.623682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.623682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.623682 (E_RNA)
where:
Base-Base interactions energy: -115.070
where: short stacking energy: -61.624
Base-Backbone interact. energy: -0.005
local terms energy: -73.549413
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -16.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -177.851674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.851674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.851674 (E_RNA)
where:
Base-Base interactions energy: -104.298
where: short stacking energy: -52.403
Base-Backbone interact. energy: -0.128
local terms energy: -73.426567
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -16.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -170.138648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.138648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.138648 (E_RNA)
where:
Base-Base interactions energy: -99.956
where: short stacking energy: -50.291
Base-Backbone interact. energy: -0.067
local terms energy: -70.115126
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -15.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -168.815069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.815069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.815069 (E_RNA)
where:
Base-Base interactions energy: -104.893
where: short stacking energy: -56.519
Base-Backbone interact. energy: -0.065
local terms energy: -63.856792
where:
bonds (distance) C4'-P energy: -11.758
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -5.637
tors. eta vs tors. theta energy: -16.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -98.234764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.234764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.234764 (E_RNA)
where:
Base-Base interactions energy: -39.392
where: short stacking energy: -38.337
Base-Backbone interact. energy: -0.192
local terms energy: -58.650654
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -11.047
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: -10.483
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: 4
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -152.680410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.680410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.680410 (E_RNA)
where:
Base-Base interactions energy: -88.075
where: short stacking energy: -49.548
Base-Backbone interact. energy: -0.311
local terms energy: -64.294119
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -8.969
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: 10
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -94.048725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.048725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.048725 (E_RNA)
where:
Base-Base interactions energy: -47.016
where: short stacking energy: -27.167
Base-Backbone interact. energy: 0.575
local terms energy: -47.608038
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -6.080
tors. eta vs tors. theta energy: -0.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -73.850803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.850803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.850803 (E_RNA)
where:
Base-Base interactions energy: -25.808
where: short stacking energy: -24.061
Base-Backbone interact. energy: -0.166
local terms energy: -47.875896
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: -2.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -76.418022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.418022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.418022 (E_RNA)
where:
Base-Base interactions energy: -31.419
where: short stacking energy: -27.900
Base-Backbone interact. energy: -0.238
local terms energy: -44.761662
where:
bonds (distance) C4'-P energy: -10.858
bonds (distance) P-C4' energy: -10.589
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -6.990
tors. eta vs tors. theta energy: -4.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -211.405523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.405523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.405523 (E_RNA)
where:
Base-Base interactions energy: -137.043
where: short stacking energy: -62.774
Base-Backbone interact. energy: -0.099
local terms energy: -74.262989
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -16.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -185.287678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.287678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.287678 (E_RNA)
where:
Base-Base interactions energy: -109.024
where: short stacking energy: -69.944
Base-Backbone interact. energy: -0.004
local terms energy: -76.259362
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -20.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -194.076826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.076826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.076826 (E_RNA)
where:
Base-Base interactions energy: -118.954
where: short stacking energy: -63.292
Base-Backbone interact. energy: -0.005
local terms energy: -75.118184
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -15.331
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: 9
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -175.220703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.220703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.220703 (E_RNA)
where:
Base-Base interactions energy: -110.803
where: short stacking energy: -53.779
Base-Backbone interact. energy: -0.008
local terms energy: -64.410380
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -11.505
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -15.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -168.627667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.627667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.627667 (E_RNA)
where:
Base-Base interactions energy: -101.188
where: short stacking energy: -51.483
Base-Backbone interact. energy: -0.023
local terms energy: -67.416105
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -13.394
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: 4
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -155.745776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.745776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.745776 (E_RNA)
where:
Base-Base interactions energy: -92.883
where: short stacking energy: -47.834
Base-Backbone interact. energy: -0.147
local terms energy: -62.715679
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -13.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -83.300066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.300066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.300066 (E_RNA)
where:
Base-Base interactions energy: -33.701
where: short stacking energy: -33.153
Base-Backbone interact. energy: -0.089
local terms energy: -49.510219
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -2.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -84.691729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.691729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.691729 (E_RNA)
where:
Base-Base interactions energy: -36.332
where: short stacking energy: -15.102
Base-Backbone interact. energy: -1.097
local terms energy: -47.261870
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -9.247
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: 1.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -90.740984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.740984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.740984 (E_RNA)
where:
Base-Base interactions energy: -42.105
where: short stacking energy: -28.491
Base-Backbone interact. energy: -0.044
local terms energy: -48.591753
where:
bonds (distance) C4'-P energy: -10.884
bonds (distance) P-C4' energy: -8.334
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -9.385
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: 131
Temperature: 1.350000
Total energy: -75.801875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.801875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.801875 (E_RNA)
where:
Base-Base interactions energy: -28.960
where: short stacking energy: -21.140
Base-Backbone interact. energy: 0.020
local terms energy: -46.861842
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -4.335
tors. eta vs tors. theta energy: -5.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -188.017401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.017401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.017401 (E_RNA)
where:
Base-Base interactions energy: -116.203
where: short stacking energy: -57.164
Base-Backbone interact. energy: -0.012
local terms energy: -71.802368
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -20.445
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: 8
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -192.398533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.398533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.398533 (E_RNA)
where:
Base-Base interactions energy: -115.971
where: short stacking energy: -67.070
Base-Backbone interact. energy: -0.002
local terms energy: -76.425264
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -18.084
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -19.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -190.741387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.741387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.741387 (E_RNA)
where:
Base-Base interactions energy: -110.702
where: short stacking energy: -55.976
Base-Backbone interact. energy: -0.073
local terms energy: -79.966804
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -17.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -150.898268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.898268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.898268 (E_RNA)
where:
Base-Base interactions energy: -94.683
where: short stacking energy: -49.482
Base-Backbone interact. energy: -0.137
local terms energy: -56.078193
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -6.798
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: 4
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -165.131088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.131088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.131088 (E_RNA)
where:
Base-Base interactions energy: -99.881
where: short stacking energy: -55.498
Base-Backbone interact. energy: -0.428
local terms energy: -64.821909
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -10.463
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -16.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -158.192526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.192526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.192526 (E_RNA)
where:
Base-Base interactions energy: -92.497
where: short stacking energy: -50.208
Base-Backbone interact. energy: 0.048
local terms energy: -65.743563
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -12.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -89.259272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.259272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.259272 (E_RNA)
where:
Base-Base interactions energy: -32.066
where: short stacking energy: -14.967
Base-Backbone interact. energy: -0.429
local terms energy: -56.764832
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -2.351
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: 8, replica: 1
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -84.770939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.770939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.770939 (E_RNA)
where:
Base-Base interactions energy: -28.213
where: short stacking energy: -28.213
Base-Backbone interact. energy: -0.198
local terms energy: -56.359303
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -9.457
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -9.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -81.253994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.253994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.253994 (E_RNA)
where:
Base-Base interactions energy: -26.890
where: short stacking energy: -19.578
Base-Backbone interact. energy: -0.097
local terms energy: -54.266998
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -1.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -79.346941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.346941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.346941 (E_RNA)
where:
Base-Base interactions energy: -24.997
where: short stacking energy: -19.848
Base-Backbone interact. energy: 0.181
local terms energy: -54.530452
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -2.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -192.759922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.759922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.759922 (E_RNA)
where:
Base-Base interactions energy: -115.342
where: short stacking energy: -63.901
Base-Backbone interact. energy: 2.806
local terms energy: -80.223817
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -21.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -193.441535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.441535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.441535 (E_RNA)
where:
Base-Base interactions energy: -124.767
where: short stacking energy: -59.419
Base-Backbone interact. energy: -0.077
local terms energy: -68.598032
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -13.144
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: 3, replica: 8
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -188.561316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.561316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.561316 (E_RNA)
where:
Base-Base interactions energy: -123.502
where: short stacking energy: -62.736
Base-Backbone interact. energy: 0.006
local terms energy: -65.065575
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -9.470
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -15.728
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: 4, replica: 4
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -168.119420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.119420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.119420 (E_RNA)
where:
Base-Base interactions energy: -94.360
where: short stacking energy: -51.550
Base-Backbone interact. energy: -0.154
local terms energy: -73.605312
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -14.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -171.345453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.345453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.345453 (E_RNA)
where:
Base-Base interactions energy: -98.855
where: short stacking energy: -63.309
Base-Backbone interact. energy: 1.449
local terms energy: -73.939053
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -19.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -162.615604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.615604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.615604 (E_RNA)
where:
Base-Base interactions energy: -99.130
where: short stacking energy: -54.956
Base-Backbone interact. energy: -0.325
local terms energy: -63.160237
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -13.085
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: 10
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -87.397193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.397193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.397193 (E_RNA)
where:
Base-Base interactions energy: -31.982
where: short stacking energy: -31.911
Base-Backbone interact. energy: 1.317
local terms energy: -56.732539
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -10.887
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: 8, replica: 1
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -92.989054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.989054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.989054 (E_RNA)
where:
Base-Base interactions energy: -32.977
where: short stacking energy: -32.977
Base-Backbone interact. energy: -0.379
local terms energy: -59.632906
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -10.468
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -8.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -101.202054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.202054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.202054 (E_RNA)
where:
Base-Base interactions energy: -50.255
where: short stacking energy: -29.841
Base-Backbone interact. energy: 0.330
local terms energy: -51.276512
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -2.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -81.340801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.340801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.340801 (E_RNA)
where:
Base-Base interactions energy: -32.693
where: short stacking energy: -27.415
Base-Backbone interact. energy: -0.073
local terms energy: -48.574080
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -3.929
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: 2
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -193.728868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.728868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.728868 (E_RNA)
where:
Base-Base interactions energy: -119.535
where: short stacking energy: -68.532
Base-Backbone interact. energy: -0.688
local terms energy: -73.505744
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -14.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -195.220067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.220067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.220067 (E_RNA)
where:
Base-Base interactions energy: -115.455
where: short stacking energy: -68.340
Base-Backbone interact. energy: -0.030
local terms energy: -79.734924
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -14.423
tors. eta vs tors. theta energy: -18.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -199.342383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.342383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.342383 (E_RNA)
where:
Base-Base interactions energy: -122.579
where: short stacking energy: -69.326
Base-Backbone interact. energy: -0.001
local terms energy: -76.762230
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -20.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -158.681458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.681458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.681458 (E_RNA)
where:
Base-Base interactions energy: -97.626
where: short stacking energy: -56.513
Base-Backbone interact. energy: -0.105
local terms energy: -60.950292
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -13.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -163.070905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.070905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.070905 (E_RNA)
where:
Base-Base interactions energy: -103.292
where: short stacking energy: -52.868
Base-Backbone interact. energy: -0.337
local terms energy: -59.441808
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -1.841
tors. eta vs tors. theta energy: -12.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -162.162836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.162836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.162836 (E_RNA)
where:
Base-Base interactions energy: -96.657
where: short stacking energy: -58.068
Base-Backbone interact. energy: -0.630
local terms energy: -64.875769
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -9.870
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -13.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -83.411889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.411889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.411889 (E_RNA)
where:
Base-Base interactions energy: -23.309
where: short stacking energy: -23.309
Base-Backbone interact. energy: -0.052
local terms energy: -60.050388
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -3.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -79.617118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.617118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.617118 (E_RNA)
where:
Base-Base interactions energy: -26.195
where: short stacking energy: -25.965
Base-Backbone interact. energy: -0.011
local terms energy: -53.411037
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: -2.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -76.735922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.735922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.735922 (E_RNA)
where:
Base-Base interactions energy: -28.341
where: short stacking energy: -19.798
Base-Backbone interact. energy: 1.748
local terms energy: -50.142830
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -10.477
flat angles C4'-P-C4' energy: -10.524
flat angles P-C4'-P energy: -13.840
tors. eta vs tors. theta energy: -0.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -71.582796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.582796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.582796 (E_RNA)
where:
Base-Base interactions energy: -21.367
where: short stacking energy: -21.125
Base-Backbone interact. energy: -0.201
local terms energy: -50.015209
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -1.654
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: 2
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -196.477107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.477107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.477107 (E_RNA)
where:
Base-Base interactions energy: -125.999
where: short stacking energy: -70.616
Base-Backbone interact. energy: 0.253
local terms energy: -70.731083
where:
bonds (distance) C4'-P energy: -9.421
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -19.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -199.446218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.446218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.446218 (E_RNA)
where:
Base-Base interactions energy: -122.030
where: short stacking energy: -66.156
Base-Backbone interact. energy: -0.156
local terms energy: -77.260287
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -19.592
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: 3, replica: 5
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -177.642117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.642117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.642117 (E_RNA)
where:
Base-Base interactions energy: -105.504
where: short stacking energy: -59.084
Base-Backbone interact. energy: -0.006
local terms energy: -72.132560
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -17.361
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: 3
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -170.362942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.362942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.362942 (E_RNA)
where:
Base-Base interactions energy: -98.924
where: short stacking energy: -54.282
Base-Backbone interact. energy: -0.002
local terms energy: -71.436910
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -13.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -150.900942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.900942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.900942 (E_RNA)
where:
Base-Base interactions energy: -86.418
where: short stacking energy: -38.071
Base-Backbone interact. energy: 0.168
local terms energy: -64.650486
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -7.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -150.628781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.628781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.628781 (E_RNA)
where:
Base-Base interactions energy: -86.140
where: short stacking energy: -45.553
Base-Backbone interact. energy: -0.167
local terms energy: -64.322466
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -9.093
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: 1
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -89.129254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.129254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.129254 (E_RNA)
where:
Base-Base interactions energy: -33.988
where: short stacking energy: -29.614
Base-Backbone interact. energy: -0.175
local terms energy: -54.966114
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -83.886689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.886689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.886689 (E_RNA)
where:
Base-Base interactions energy: -38.440
where: short stacking energy: -19.486
Base-Backbone interact. energy: 0.142
local terms energy: -45.588868
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -8.716
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: 2.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -72.251025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.251025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.251025 (E_RNA)
where:
Base-Base interactions energy: -20.591
where: short stacking energy: -16.730
Base-Backbone interact. energy: 0.274
local terms energy: -51.934288
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: 2.189
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: 6
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -70.909004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.909004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.909004 (E_RNA)
where:
Base-Base interactions energy: -20.637
where: short stacking energy: -16.434
Base-Backbone interact. energy: -0.195
local terms energy: -50.076541
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: -0.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -195.564996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.564996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.564996 (E_RNA)
where:
Base-Base interactions energy: -118.214
where: short stacking energy: -68.842
Base-Backbone interact. energy: -0.002
local terms energy: -77.348607
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -17.880
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -20.048
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: 2
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -190.178841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.178841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.178841 (E_RNA)
where:
Base-Base interactions energy: -113.140
where: short stacking energy: -61.139
Base-Backbone interact. energy: -0.674
local terms energy: -76.365608
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -18.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -180.203417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.203417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.203417 (E_RNA)
where:
Base-Base interactions energy: -110.658
where: short stacking energy: -60.641
Base-Backbone interact. energy: -0.100
local terms energy: -69.444586
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -19.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -167.822666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.822666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.822666 (E_RNA)
where:
Base-Base interactions energy: -102.889
where: short stacking energy: -64.363
Base-Backbone interact. energy: -0.920
local terms energy: -64.013607
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -4.485
tors. eta vs tors. theta energy: -14.364
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: 136
Temperature: 1.100000
Total energy: -178.652560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.652560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.652560 (E_RNA)
where:
Base-Base interactions energy: -110.514
where: short stacking energy: -56.968
Base-Backbone interact. energy: -0.122
local terms energy: -68.016560
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -5.998
tors. eta vs tors. theta energy: -15.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -155.183176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.183176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.183176 (E_RNA)
where:
Base-Base interactions energy: -90.952
where: short stacking energy: -48.254
Base-Backbone interact. energy: -0.175
local terms energy: -64.056212
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -6.820
tors. eta vs tors. theta energy: -10.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -83.867151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.867151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.867151 (E_RNA)
where:
Base-Base interactions energy: -26.446
where: short stacking energy: -25.747
Base-Backbone interact. energy: 0.498
local terms energy: -57.918801
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -1.342
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: 8, replica: 1
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -83.199959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.199959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.199959 (E_RNA)
where:
Base-Base interactions energy: -33.276
where: short stacking energy: -28.342
Base-Backbone interact. energy: -0.045
local terms energy: -49.878035
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -8.666
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -2.246
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: 9, replica: 6
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -84.515369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.515369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.515369 (E_RNA)
where:
Base-Base interactions energy: -31.826
where: short stacking energy: -25.010
Base-Backbone interact. energy: -0.211
local terms energy: -52.478297
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -1.826
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: 136
Temperature: 1.350000
Total energy: -77.267635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.267635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.267635 (E_RNA)
where:
Base-Base interactions energy: -30.298
where: short stacking energy: -27.568
Base-Backbone interact. energy: -0.038
local terms energy: -46.931624
where:
bonds (distance) C4'-P energy: -7.569
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -0.180
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: 8
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -205.829699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.829699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.829699 (E_RNA)
where:
Base-Base interactions energy: -129.279
where: short stacking energy: -67.613
Base-Backbone interact. energy: -0.185
local terms energy: -76.365335
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -19.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -194.392740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.392740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.392740 (E_RNA)
where:
Base-Base interactions energy: -120.331
where: short stacking energy: -59.938
Base-Backbone interact. energy: -0.443
local terms energy: -73.619504
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -18.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -182.671834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.671834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.671834 (E_RNA)
where:
Base-Base interactions energy: -108.606
where: short stacking energy: -66.494
Base-Backbone interact. energy: -0.102
local terms energy: -73.963193
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -17.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -188.094095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.094095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.094095 (E_RNA)
where:
Base-Base interactions energy: -121.840
where: short stacking energy: -64.823
Base-Backbone interact. energy: -0.094
local terms energy: -66.159954
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -10.848
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -18.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -166.605156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.605156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.605156 (E_RNA)
where:
Base-Base interactions energy: -96.516
where: short stacking energy: -47.577
Base-Backbone interact. energy: -0.097
local terms energy: -69.991631
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -13.936
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: 4
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -162.514807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.514807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.514807 (E_RNA)
where:
Base-Base interactions energy: -99.962
where: short stacking energy: -50.056
Base-Backbone interact. energy: -0.304
local terms energy: -62.248635
where:
bonds (distance) C4'-P energy: -8.852
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -15.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -94.836520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.836520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.836520 (E_RNA)
where:
Base-Base interactions energy: -38.415
where: short stacking energy: -31.689
Base-Backbone interact. energy: -0.196
local terms energy: -56.225672
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -4.182
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: 6
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -91.155751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.155751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.155751 (E_RNA)
where:
Base-Base interactions energy: -29.279
where: short stacking energy: -26.704
Base-Backbone interact. energy: -0.145
local terms energy: -61.731903
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -3.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -85.303412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.303412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.303412 (E_RNA)
where:
Base-Base interactions energy: -33.028
where: short stacking energy: -33.028
Base-Backbone interact. energy: -0.464
local terms energy: -51.811143
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -1.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -80.852259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.852259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.852259 (E_RNA)
where:
Base-Base interactions energy: -36.130
where: short stacking energy: -36.130
Base-Backbone interact. energy: -0.392
local terms energy: -44.330656
where:
bonds (distance) C4'-P energy: -5.754
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -4.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -189.143378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.143378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.143378 (E_RNA)
where:
Base-Base interactions energy: -117.951
where: short stacking energy: -65.989
Base-Backbone interact. energy: -0.161
local terms energy: -71.030769
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -16.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -203.616210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.616210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.616210 (E_RNA)
where:
Base-Base interactions energy: -128.414
where: short stacking energy: -68.557
Base-Backbone interact. energy: -0.026
local terms energy: -75.175845
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -19.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -182.348769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.348769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.348769 (E_RNA)
where:
Base-Base interactions energy: -102.538
where: short stacking energy: -58.058
Base-Backbone interact. energy: -0.111
local terms energy: -79.700124
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -15.422
tors. eta vs tors. theta energy: -16.266
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: 3
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -171.699743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.699743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.699743 (E_RNA)
where:
Base-Base interactions energy: -97.444
where: short stacking energy: -51.333
Base-Backbone interact. energy: -0.008
local terms energy: -74.247514
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -17.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -165.024884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.024884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.024884 (E_RNA)
where:
Base-Base interactions energy: -97.953
where: short stacking energy: -51.614
Base-Backbone interact. energy: -0.132
local terms energy: -66.940683
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -16.034
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -10.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -166.737262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.737262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.737262 (E_RNA)
where:
Base-Base interactions energy: -112.682
where: short stacking energy: -49.076
Base-Backbone interact. energy: -0.424
local terms energy: -53.631709
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -10.576
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -11.418
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: 7, replica: 6
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -86.799895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.799895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.799895 (E_RNA)
where:
Base-Base interactions energy: -28.147
where: short stacking energy: -26.907
Base-Backbone interact. energy: -0.056
local terms energy: -58.596514
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -8.789
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -8.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -78.342581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.342581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.342581 (E_RNA)
where:
Base-Base interactions energy: -24.645
where: short stacking energy: -21.683
Base-Backbone interact. energy: -1.078
local terms energy: -52.619562
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -7.918
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: 10
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -78.804735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.804735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.804735 (E_RNA)
where:
Base-Base interactions energy: -33.648
where: short stacking energy: -34.648
Base-Backbone interact. energy: -0.164
local terms energy: -44.992608
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -4.778
tors. eta vs tors. theta energy: 0.094
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: 1
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -70.355860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.355860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.355860 (E_RNA)
where:
Base-Base interactions energy: -15.937
where: short stacking energy: -15.937
Base-Backbone interact. energy: -0.169
local terms energy: -54.249820
where:
bonds (distance) C4'-P energy: -14.995
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: 2.685
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: 1, replica: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -197.764644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.764644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.764644 (E_RNA)
where:
Base-Base interactions energy: -122.943
where: short stacking energy: -66.360
Base-Backbone interact. energy: -1.065
local terms energy: -73.756590
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -17.839
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: 9
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -179.054635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.054635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.054635 (E_RNA)
where:
Base-Base interactions energy: -104.398
where: short stacking energy: -64.253
Base-Backbone interact. energy: -0.002
local terms energy: -74.653973
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -17.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -186.243107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.243107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.243107 (E_RNA)
where:
Base-Base interactions energy: -110.725
where: short stacking energy: -53.212
Base-Backbone interact. energy: -0.109
local terms energy: -75.408854
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -15.213
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: 4
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -173.419040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.419040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.419040 (E_RNA)
where:
Base-Base interactions energy: -100.266
where: short stacking energy: -53.092
Base-Backbone interact. energy: -0.188
local terms energy: -72.965167
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -16.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -149.707353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.707353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.707353 (E_RNA)
where:
Base-Base interactions energy: -92.577
where: short stacking energy: -47.055
Base-Backbone interact. energy: -0.304
local terms energy: -56.826654
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -10.621
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: 139
Temperature: 1.150000
Total energy: -156.892674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.892674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.892674 (E_RNA)
where:
Base-Base interactions energy: -94.003
where: short stacking energy: -45.195
Base-Backbone interact. energy: -0.258
local terms energy: -62.631699
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -12.493
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: 7, replica: 6
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -85.765263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.765263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.765263 (E_RNA)
where:
Base-Base interactions energy: -36.142
where: short stacking energy: -35.875
Base-Backbone interact. energy: -0.025
local terms energy: -49.597725
where:
bonds (distance) C4'-P energy: -10.478
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -8.165
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -5.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -88.274152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.274152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.274152 (E_RNA)
where:
Base-Base interactions energy: -35.051
where: short stacking energy: -34.478
Base-Backbone interact. energy: -0.088
local terms energy: -53.134346
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -7.373
flat angles P-C4'-P energy: -7.083
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: 9, replica: 10
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -86.089887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.089887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.089887 (E_RNA)
where:
Base-Base interactions energy: -33.233
where: short stacking energy: -28.136
Base-Backbone interact. energy: -0.258
local terms energy: -52.599224
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -1.997
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: 1
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -84.328394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.328394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.328394 (E_RNA)
where:
Base-Base interactions energy: -35.439
where: short stacking energy: -28.640
Base-Backbone interact. energy: -0.488
local terms energy: -48.401674
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: -6.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -197.784001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.784001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.784001 (E_RNA)
where:
Base-Base interactions energy: -120.465
where: short stacking energy: -62.904
Base-Backbone interact. energy: -0.350
local terms energy: -76.968692
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -15.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -188.632244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.632244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.632244 (E_RNA)
where:
Base-Base interactions energy: -122.127
where: short stacking energy: -46.362
Base-Backbone interact. energy: 0.901
local terms energy: -67.406194
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -11.464
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: 140
Temperature: 1.000000
Total energy: -190.801398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.801398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.801398 (E_RNA)
where:
Base-Base interactions energy: -126.762
where: short stacking energy: -53.186
Base-Backbone interact. energy: -0.188
local terms energy: -63.851239
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -12.641
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: 8
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -179.739326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.739326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.739326 (E_RNA)
where:
Base-Base interactions energy: -107.776
where: short stacking energy: -54.384
Base-Backbone interact. energy: -0.238
local terms energy: -71.725210
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -13.619
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: 3
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -148.420691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.420691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.420691 (E_RNA)
where:
Base-Base interactions energy: -83.373
where: short stacking energy: -43.230
Base-Backbone interact. energy: -0.211
local terms energy: -64.837050
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -12.773
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -9.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -145.676704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.676704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.676704 (E_RNA)
where:
Base-Base interactions energy: -85.616
where: short stacking energy: -46.923
Base-Backbone interact. energy: -0.093
local terms energy: -59.967739
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -7.185
tors. eta vs tors. theta energy: -11.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -110.490302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.490302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.490302 (E_RNA)
where:
Base-Base interactions energy: -65.963
where: short stacking energy: -28.804
Base-Backbone interact. energy: -0.232
local terms energy: -44.295737
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -10.020
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -4.977
tors. eta vs tors. theta energy: -4.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -91.280290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.280290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.280290 (E_RNA)
where:
Base-Base interactions energy: -40.336
where: short stacking energy: -27.593
Base-Backbone interact. energy: -0.732
local terms energy: -50.211865
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -2.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -74.465120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.465120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.465120 (E_RNA)
where:
Base-Base interactions energy: -23.155
where: short stacking energy: -14.372
Base-Backbone interact. energy: -0.182
local terms energy: -51.127990
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -9.321
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: 10
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -74.328341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.328341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.328341 (E_RNA)
where:
Base-Base interactions energy: -32.322
where: short stacking energy: -25.641
Base-Backbone interact. energy: 0.021
local terms energy: -42.027229
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -9.266
flat angles C4'-P-C4' energy: -10.852
flat angles P-C4'-P energy: -7.371
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: 1, replica: 2
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -197.762713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.762713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.762713 (E_RNA)
where:
Base-Base interactions energy: -128.108
where: short stacking energy: -67.995
Base-Backbone interact. energy: -0.080
local terms energy: -69.574498
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -17.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -199.531226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.531226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.531226 (E_RNA)
where:
Base-Base interactions energy: -130.480
where: short stacking energy: -66.226
Base-Backbone interact. energy: -0.143
local terms energy: -68.908692
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -17.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -175.216594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.216594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.216594 (E_RNA)
where:
Base-Base interactions energy: -111.196
where: short stacking energy: -64.859
Base-Backbone interact. energy: -0.013
local terms energy: -64.007373
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -12.248
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -13.765
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: 4, replica: 8
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -178.377043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.377043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.377043 (E_RNA)
where:
Base-Base interactions energy: -110.328
where: short stacking energy: -60.595
Base-Backbone interact. energy: -0.083
local terms energy: -67.965793
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -15.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -124.863704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.863704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.863704 (E_RNA)
where:
Base-Base interactions energy: -71.488
where: short stacking energy: -29.722
Base-Backbone interact. energy: -0.263
local terms energy: -53.113102
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -11.886
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: 6, replica: 5
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -173.553421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.553421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.553421 (E_RNA)
where:
Base-Base interactions energy: -108.994
where: short stacking energy: -56.275
Base-Backbone interact. energy: -0.087
local terms energy: -64.472352
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -5.252
tors. eta vs tors. theta energy: -12.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -160.940118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.940118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.940118 (E_RNA)
where:
Base-Base interactions energy: -99.542
where: short stacking energy: -55.411
Base-Backbone interact. energy: -0.010
local terms energy: -61.387938
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -9.159
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -13.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -85.437141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.437141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.437141 (E_RNA)
where:
Base-Base interactions energy: -34.849
where: short stacking energy: -25.084
Base-Backbone interact. energy: 1.909
local terms energy: -52.497130
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -9.798
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -5.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -81.028104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.028104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.028104 (E_RNA)
where:
Base-Base interactions energy: -25.735
where: short stacking energy: -25.735
Base-Backbone interact. energy: -0.222
local terms energy: -55.071030
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -4.320
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: 141
Temperature: 1.350000
Total energy: -78.235097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.235097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.235097 (E_RNA)
where:
Base-Base interactions energy: -28.428
where: short stacking energy: -28.428
Base-Backbone interact. energy: -0.101
local terms energy: -49.705713
where:
bonds (distance) C4'-P energy: -11.482
bonds (distance) P-C4' energy: -11.723
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -2.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -209.533124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.533124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.533124 (E_RNA)
where:
Base-Base interactions energy: -132.768
where: short stacking energy: -75.072
Base-Backbone interact. energy: 0.112
local terms energy: -76.877248
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -21.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -196.813999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.813999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.813999 (E_RNA)
where:
Base-Base interactions energy: -127.077
where: short stacking energy: -62.888
Base-Backbone interact. energy: -0.255
local terms energy: -69.482073
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -17.299
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: 8
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -195.899304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.899304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.899304 (E_RNA)
where:
Base-Base interactions energy: -122.938
where: short stacking energy: -54.346
Base-Backbone interact. energy: -0.030
local terms energy: -72.931746
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -16.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -180.225355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.225355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.225355 (E_RNA)
where:
Base-Base interactions energy: -104.246
where: short stacking energy: -56.581
Base-Backbone interact. energy: -0.147
local terms energy: -75.832720
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -15.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -164.724321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.724321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.724321 (E_RNA)
where:
Base-Base interactions energy: -100.170
where: short stacking energy: -61.722
Base-Backbone interact. energy: -0.349
local terms energy: -64.205370
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -14.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -131.430319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.430319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.430319 (E_RNA)
where:
Base-Base interactions energy: -74.827
where: short stacking energy: -38.667
Base-Backbone interact. energy: -0.073
local terms energy: -56.530707
where:
bonds (distance) C4'-P energy: -11.132
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -4.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -149.228333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.228333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.228333 (E_RNA)
where:
Base-Base interactions energy: -90.815
where: short stacking energy: -49.850
Base-Backbone interact. energy: 0.420
local terms energy: -58.833374
where:
bonds (distance) C4'-P energy: -10.731
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -9.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -85.989274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.989274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.989274 (E_RNA)
where:
Base-Base interactions energy: -30.073
where: short stacking energy: -30.373
Base-Backbone interact. energy: 1.489
local terms energy: -57.405472
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -3.605
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: 10
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -80.397209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.397209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.397209 (E_RNA)
where:
Base-Base interactions energy: -33.063
where: short stacking energy: -27.717
Base-Backbone interact. energy: -1.665
local terms energy: -45.669184
where:
bonds (distance) C4'-P energy: -9.378
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -4.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -76.725649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.725649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.725649 (E_RNA)
where:
Base-Base interactions energy: -24.629
where: short stacking energy: -24.629
Base-Backbone interact. energy: -0.003
local terms energy: -52.093182
where:
bonds (distance) C4'-P energy: -8.401
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -4.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -208.128351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.128351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.128351 (E_RNA)
where:
Base-Base interactions energy: -131.211
where: short stacking energy: -63.905
Base-Backbone interact. energy: -0.099
local terms energy: -76.818533
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -20.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -200.192795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.192795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.192795 (E_RNA)
where:
Base-Base interactions energy: -123.990
where: short stacking energy: -57.470
Base-Backbone interact. energy: -0.006
local terms energy: -76.197693
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -16.786
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: 2
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -178.683278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.683278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.683278 (E_RNA)
where:
Base-Base interactions energy: -102.709
where: short stacking energy: -57.279
Base-Backbone interact. energy: -0.086
local terms energy: -75.887830
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -13.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -171.586052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.586052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.586052 (E_RNA)
where:
Base-Base interactions energy: -109.481
where: short stacking energy: -52.141
Base-Backbone interact. energy: -0.090
local terms energy: -62.015521
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -6.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -145.955576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.955576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.955576 (E_RNA)
where:
Base-Base interactions energy: -88.020
where: short stacking energy: -44.928
Base-Backbone interact. energy: -0.212
local terms energy: -57.723199
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -12.788
flat angles C4'-P-C4' energy: -8.931
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -10.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -146.052896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.052896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.052896 (E_RNA)
where:
Base-Base interactions energy: -76.949
where: short stacking energy: -41.195
Base-Backbone interact. energy: -0.001
local terms energy: -69.103385
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -12.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -117.896617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.896617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.896617 (E_RNA)
where:
Base-Base interactions energy: -70.419
where: short stacking energy: -32.705
Base-Backbone interact. energy: 0.874
local terms energy: -48.352022
where:
bonds (distance) C4'-P energy: -9.486
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -2.913
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: 10
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -86.445302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.445302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.445302 (E_RNA)
where:
Base-Base interactions energy: -32.129
where: short stacking energy: -32.129
Base-Backbone interact. energy: -0.011
local terms energy: -54.305010
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -3.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -93.351435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.351435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.351435 (E_RNA)
where:
Base-Base interactions energy: -48.576
where: short stacking energy: -23.974
Base-Backbone interact. energy: -0.241
local terms energy: -44.534804
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -6.379
tors. eta vs tors. theta energy: 0.781
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: 7
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -72.921190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.921190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.921190 (E_RNA)
where:
Base-Base interactions energy: -33.699
where: short stacking energy: -25.525
Base-Backbone interact. energy: 2.883
local terms energy: -42.105793
where:
bonds (distance) C4'-P energy: -5.749
bonds (distance) P-C4' energy: -11.536
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: 1.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -211.229429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.229429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.229429 (E_RNA)
where:
Base-Base interactions energy: -135.795
where: short stacking energy: -66.035
Base-Backbone interact. energy: -0.759
local terms energy: -74.674929
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -20.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -212.514340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.514340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.514340 (E_RNA)
where:
Base-Base interactions energy: -129.774
where: short stacking energy: -66.246
Base-Backbone interact. energy: -0.631
local terms energy: -82.109075
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -21.257
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: 144
Temperature: 1.000000
Total energy: -184.511543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.511543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.511543 (E_RNA)
where:
Base-Base interactions energy: -115.383
where: short stacking energy: -65.194
Base-Backbone interact. energy: 0.570
local terms energy: -69.698819
where:
bonds (distance) C4'-P energy: -10.256
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -17.446
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: 4, replica: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -176.604878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.604878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.604878 (E_RNA)
where:
Base-Base interactions energy: -108.711
where: short stacking energy: -56.040
Base-Backbone interact. energy: -0.142
local terms energy: -67.751334
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -11.073
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -16.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -169.358841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.358841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.358841 (E_RNA)
where:
Base-Base interactions energy: -105.860
where: short stacking energy: -40.435
Base-Backbone interact. energy: -0.377
local terms energy: -63.121850
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -6.285
tors. eta vs tors. theta energy: -13.430
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: 5
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -141.784512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.784512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.784512 (E_RNA)
where:
Base-Base interactions energy: -81.030
where: short stacking energy: -46.879
Base-Backbone interact. energy: -0.057
local terms energy: -60.698004
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -10.822
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: 10
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -90.070876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.070876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.070876 (E_RNA)
where:
Base-Base interactions energy: -39.837
where: short stacking energy: -23.439
Base-Backbone interact. energy: 0.330
local terms energy: -50.563499
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -7.866
flat angles P-C4'-P energy: -7.246
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: 8, replica: 3
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -87.230778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.230778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.230778 (E_RNA)
where:
Base-Base interactions energy: -43.160
where: short stacking energy: -30.482
Base-Backbone interact. energy: 0.033
local terms energy: -44.103526
where:
bonds (distance) C4'-P energy: -6.502
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -9.880
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -0.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -85.986361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.986361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.986361 (E_RNA)
where:
Base-Base interactions energy: -30.002
where: short stacking energy: -30.202
Base-Backbone interact. energy: -0.007
local terms energy: -55.976976
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -10.410
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -10.216
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: 1
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -74.409959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.409959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.409959 (E_RNA)
where:
Base-Base interactions energy: -34.219
where: short stacking energy: -21.846
Base-Backbone interact. energy: -0.308
local terms energy: -39.882108
where:
bonds (distance) C4'-P energy: -9.785
bonds (distance) P-C4' energy: -15.739
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -4.892
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: 1, replica: 4
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -224.163032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.163032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.163032 (E_RNA)
where:
Base-Base interactions energy: -144.334
where: short stacking energy: -67.795
Base-Backbone interact. energy: -0.605
local terms energy: -79.224550
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -21.989
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: 9
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -192.405279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.405279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.405279 (E_RNA)
where:
Base-Base interactions energy: -119.652
where: short stacking energy: -59.752
Base-Backbone interact. energy: -0.120
local terms energy: -72.632955
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -18.029
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: 8
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -186.454535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.454535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.454535 (E_RNA)
where:
Base-Base interactions energy: -122.341
where: short stacking energy: -51.936
Base-Backbone interact. energy: -1.178
local terms energy: -62.935348
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -18.054
flat angles P-C4'-P energy: -3.306
tors. eta vs tors. theta energy: -13.810
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: 6
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -162.163734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.163734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.163734 (E_RNA)
where:
Base-Base interactions energy: -98.301
where: short stacking energy: -49.679
Base-Backbone interact. energy: -0.029
local terms energy: -63.834147
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -9.711
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: 5, replica: 2
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -169.987477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.987477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.987477 (E_RNA)
where:
Base-Base interactions energy: -96.974
where: short stacking energy: -57.652
Base-Backbone interact. energy: -0.097
local terms energy: -72.916257
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -15.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -144.921425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.921425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.921425 (E_RNA)
where:
Base-Base interactions energy: -76.222
where: short stacking energy: -39.219
Base-Backbone interact. energy: -0.477
local terms energy: -68.222716
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -13.192
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: 10
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -90.569207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.569207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.569207 (E_RNA)
where:
Base-Base interactions energy: -38.705
where: short stacking energy: -34.211
Base-Backbone interact. energy: -0.130
local terms energy: -51.734384
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -7.749
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -4.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -87.241441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.241441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.241441 (E_RNA)
where:
Base-Base interactions energy: -36.870
where: short stacking energy: -36.870
Base-Backbone interact. energy: -0.116
local terms energy: -50.255749
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: -2.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -80.368185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.368185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.368185 (E_RNA)
where:
Base-Base interactions energy: -29.295
where: short stacking energy: -29.295
Base-Backbone interact. energy: -0.266
local terms energy: -50.807057
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -12.801
flat angles C4'-P-C4' energy: -8.023
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -8.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -80.922033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.922033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.922033 (E_RNA)
where:
Base-Base interactions energy: -39.122
where: short stacking energy: -23.137
Base-Backbone interact. energy: 2.826
local terms energy: -44.625829
where:
bonds (distance) C4'-P energy: -9.645
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -3.846
tors. eta vs tors. theta energy: -0.311
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: 4
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -199.206063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.206063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.206063 (E_RNA)
where:
Base-Base interactions energy: -121.199
where: short stacking energy: -66.632
Base-Backbone interact. energy: -0.337
local terms energy: -77.670660
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -14.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -195.746444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.746444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.746444 (E_RNA)
where:
Base-Base interactions energy: -122.573
where: short stacking energy: -69.106
Base-Backbone interact. energy: -1.128
local terms energy: -72.045373
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -19.988
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: 3, replica: 8
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -195.895474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.895474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.895474 (E_RNA)
where:
Base-Base interactions energy: -120.169
where: short stacking energy: -62.679
Base-Backbone interact. energy: 1.413
local terms energy: -77.139333
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -16.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -163.725709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.725709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.725709 (E_RNA)
where:
Base-Base interactions energy: -100.238
where: short stacking energy: -56.575
Base-Backbone interact. energy: -0.004
local terms energy: -63.483065
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -13.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -158.000477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.000477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.000477 (E_RNA)
where:
Base-Base interactions energy: -98.589
where: short stacking energy: -43.040
Base-Backbone interact. energy: -0.384
local terms energy: -59.026730
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -7.825
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: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -168.758060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.758060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.758060 (E_RNA)
where:
Base-Base interactions energy: -99.911
where: short stacking energy: -53.701
Base-Backbone interact. energy: -0.006
local terms energy: -68.841580
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -18.931
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: 7
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -93.593406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.593406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.593406 (E_RNA)
where:
Base-Base interactions energy: -35.374
where: short stacking energy: -35.077
Base-Backbone interact. energy: -0.379
local terms energy: -57.839910
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -5.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -85.191218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.191218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.191218 (E_RNA)
where:
Base-Base interactions energy: -28.397
where: short stacking energy: -26.904
Base-Backbone interact. energy: -0.665
local terms energy: -56.129301
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -1.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -75.531897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.531897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.531897 (E_RNA)
where:
Base-Base interactions energy: -21.421
where: short stacking energy: -17.204
Base-Backbone interact. energy: -0.535
local terms energy: -53.575423
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: 2.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -84.979776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.979776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.979776 (E_RNA)
where:
Base-Base interactions energy: -28.652
where: short stacking energy: -24.744
Base-Backbone interact. energy: -0.040
local terms energy: -56.288084
where:
bonds (distance) C4'-P energy: -9.064
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -7.976
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: 4
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -202.116385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.116385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.116385 (E_RNA)
where:
Base-Base interactions energy: -127.453
where: short stacking energy: -68.678
Base-Backbone interact. energy: -0.333
local terms energy: -74.330061
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -20.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -204.652954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.652954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.652954 (E_RNA)
where:
Base-Base interactions energy: -123.559
where: short stacking energy: -67.683
Base-Backbone interact. energy: -1.924
local terms energy: -79.169824
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -17.239
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -23.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -195.129817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.129817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.129817 (E_RNA)
where:
Base-Base interactions energy: -118.026
where: short stacking energy: -61.797
Base-Backbone interact. energy: -0.001
local terms energy: -77.102887
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -20.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -157.745432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.745432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.745432 (E_RNA)
where:
Base-Base interactions energy: -89.707
where: short stacking energy: -42.356
Base-Backbone interact. energy: -0.021
local terms energy: -68.017429
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -10.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -163.590985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.590985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.590985 (E_RNA)
where:
Base-Base interactions energy: -100.732
where: short stacking energy: -50.700
Base-Backbone interact. energy: -0.154
local terms energy: -62.705240
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -10.945
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -12.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -175.500267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.500267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.500267 (E_RNA)
where:
Base-Base interactions energy: -109.887
where: short stacking energy: -60.746
Base-Backbone interact. energy: -0.319
local terms energy: -65.293922
where:
bonds (distance) C4'-P energy: -10.208
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -10.032
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: 7
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -86.996992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.996992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.996992 (E_RNA)
where:
Base-Base interactions energy: -41.146
where: short stacking energy: -41.146
Base-Backbone interact. energy: -0.985
local terms energy: -44.865267
where:
bonds (distance) C4'-P energy: -9.392
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -8.491
flat angles P-C4'-P energy: -5.550
tors. eta vs tors. theta energy: -4.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -95.122989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.122989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.122989 (E_RNA)
where:
Base-Base interactions energy: -37.267
where: short stacking energy: -35.661
Base-Backbone interact. energy: 0.884
local terms energy: -58.739871
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -6.541
tors. eta vs tors. theta energy: -8.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -73.921728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.921728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.921728 (E_RNA)
where:
Base-Base interactions energy: -22.476
where: short stacking energy: -17.367
Base-Backbone interact. energy: -0.230
local terms energy: -51.215878
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: 0.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -73.517839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.517839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.517839 (E_RNA)
where:
Base-Base interactions energy: -31.361
where: short stacking energy: -31.361
Base-Backbone interact. energy: -0.154
local terms energy: -42.002583
where:
bonds (distance) C4'-P energy: -6.769
bonds (distance) P-C4' energy: -10.506
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -4.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -204.537805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.537805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.537805 (E_RNA)
where:
Base-Base interactions energy: -130.562
where: short stacking energy: -70.054
Base-Backbone interact. energy: 2.340
local terms energy: -76.315744
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -19.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -187.372740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.372740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.372740 (E_RNA)
where:
Base-Base interactions energy: -115.966
where: short stacking energy: -61.809
Base-Backbone interact. energy: -0.008
local terms energy: -71.397958
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -17.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -169.504884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.504884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.504884 (E_RNA)
where:
Base-Base interactions energy: -98.956
where: short stacking energy: -56.762
Base-Backbone interact. energy: -0.005
local terms energy: -70.544168
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -14.004
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: 6
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -160.765434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.765434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.765434 (E_RNA)
where:
Base-Base interactions energy: -103.030
where: short stacking energy: -44.139
Base-Backbone interact. energy: -0.127
local terms energy: -57.607724
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -8.918
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -6.489
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: 2
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -176.380054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.380054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.380054 (E_RNA)
where:
Base-Base interactions energy: -106.076
where: short stacking energy: -55.128
Base-Backbone interact. energy: -0.012
local terms energy: -70.292529
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -16.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -178.550661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.550661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.550661 (E_RNA)
where:
Base-Base interactions energy: -115.438
where: short stacking energy: -50.649
Base-Backbone interact. energy: -0.474
local terms energy: -62.638385
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -5.530
tors. eta vs tors. theta energy: -13.610
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: 1
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -91.425406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.425406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.425406 (E_RNA)
where:
Base-Base interactions energy: -31.417
where: short stacking energy: -31.417
Base-Backbone interact. energy: -0.552
local terms energy: -59.456901
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -4.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -87.537634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.537634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.537634 (E_RNA)
where:
Base-Base interactions energy: -33.352
where: short stacking energy: -27.287
Base-Backbone interact. energy: -0.041
local terms energy: -54.144521
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -9.733
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -2.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -84.933247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.933247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.933247 (E_RNA)
where:
Base-Base interactions energy: -31.868
where: short stacking energy: -31.868
Base-Backbone interact. energy: 0.736
local terms energy: -53.801987
where:
bonds (distance) C4'-P energy: -8.626
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -5.034
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: 10
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -74.466570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.466570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.466570 (E_RNA)
where:
Base-Base interactions energy: -31.106
where: short stacking energy: -26.763
Base-Backbone interact. energy: -0.220
local terms energy: -43.140973
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -10.334
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: -6.101
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: 1, replica: 9
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -199.465395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.465395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.465395 (E_RNA)
where:
Base-Base interactions energy: -123.469
where: short stacking energy: -63.576
Base-Backbone interact. energy: -0.256
local terms energy: -75.740110
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -17.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -188.623892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.623892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.623892 (E_RNA)
where:
Base-Base interactions energy: -115.034
where: short stacking energy: -59.065
Base-Backbone interact. energy: 0.122
local terms energy: -73.712186
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -13.538
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: 3, replica: 8
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -171.223395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.223395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.223395 (E_RNA)
where:
Base-Base interactions energy: -104.893
where: short stacking energy: -60.889
Base-Backbone interact. energy: -0.133
local terms energy: -66.197107
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: -15.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -170.282498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.282498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.282498 (E_RNA)
where:
Base-Base interactions energy: -105.339
where: short stacking energy: -56.853
Base-Backbone interact. energy: -0.094
local terms energy: -64.849238
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -6.080
tors. eta vs tors. theta energy: -13.447
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: 6
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -165.077416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.077416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.077416 (E_RNA)
where:
Base-Base interactions energy: -97.251
where: short stacking energy: -50.295
Base-Backbone interact. energy: -0.166
local terms energy: -67.660715
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -14.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -176.438772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.438772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.438772 (E_RNA)
where:
Base-Base interactions energy: -112.361
where: short stacking energy: -60.149
Base-Backbone interact. energy: -0.151
local terms energy: -63.926028
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -15.440
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: 1
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -102.265098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.265098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.265098 (E_RNA)
where:
Base-Base interactions energy: -45.915
where: short stacking energy: -45.915
Base-Backbone interact. energy: -0.119
local terms energy: -56.230581
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -10.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -81.014923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.014923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.014923 (E_RNA)
where:
Base-Base interactions energy: -25.446
where: short stacking energy: -25.446
Base-Backbone interact. energy: -0.167
local terms energy: -55.401513
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -5.991
flat angles P-C4'-P energy: -6.791
tors. eta vs tors. theta energy: -10.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -89.110967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.110967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.110967 (E_RNA)
where:
Base-Base interactions energy: -33.871
where: short stacking energy: -32.798
Base-Backbone interact. energy: 0.834
local terms energy: -56.074070
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -5.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -77.878425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.878425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.878425 (E_RNA)
where:
Base-Base interactions energy: -29.118
where: short stacking energy: -29.118
Base-Backbone interact. energy: 0.215
local terms energy: -48.974735
where:
bonds (distance) C4'-P energy: -6.911
bonds (distance) P-C4' energy: -9.572
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -2.748
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: 1, replica: 4
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -186.985559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.985559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.985559 (E_RNA)
where:
Base-Base interactions energy: -119.290
where: short stacking energy: -61.772
Base-Backbone interact. energy: -0.221
local terms energy: -67.474287
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -14.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -196.927444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.927444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.927444 (E_RNA)
where:
Base-Base interactions energy: -116.657
where: short stacking energy: -63.545
Base-Backbone interact. energy: -0.112
local terms energy: -80.158769
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -18.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -182.406237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.406237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.406237 (E_RNA)
where:
Base-Base interactions energy: -105.858
where: short stacking energy: -49.841
Base-Backbone interact. energy: -0.464
local terms energy: -76.084107
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -18.219
flat angles P-C4'-P energy: -13.804
tors. eta vs tors. theta energy: -15.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -156.557329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.557329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.557329 (E_RNA)
where:
Base-Base interactions energy: -89.583
where: short stacking energy: -48.170
Base-Backbone interact. energy: -0.090
local terms energy: -66.884316
where:
bonds (distance) C4'-P energy: -8.489
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -19.100
flat angles P-C4'-P energy: -13.211
tors. eta vs tors. theta energy: -8.801
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: 150
Temperature: 1.100000
Total energy: -188.118045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.118045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.118045 (E_RNA)
where:
Base-Base interactions energy: -122.350
where: short stacking energy: -64.435
Base-Backbone interact. energy: -0.085
local terms energy: -65.683234
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -16.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -154.188537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.188537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.188537 (E_RNA)
where:
Base-Base interactions energy: -90.233
where: short stacking energy: -41.188
Base-Backbone interact. energy: -0.058
local terms energy: -63.896766
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -11.007
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: 7, replica: 1
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -94.803138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.803138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.803138 (E_RNA)
where:
Base-Base interactions energy: -28.415
where: short stacking energy: -28.415
Base-Backbone interact. energy: -0.005
local terms energy: -66.383396
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -10.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -88.916258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.916258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.916258 (E_RNA)
where:
Base-Base interactions energy: -36.369
where: short stacking energy: -36.369
Base-Backbone interact. energy: -0.169
local terms energy: -52.377754
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -10.689
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -6.447
tors. eta vs tors. theta energy: -8.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -84.526956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.526956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.526956 (E_RNA)
where:
Base-Base interactions energy: -33.269
where: short stacking energy: -26.130
Base-Backbone interact. energy: -0.353
local terms energy: -50.904847
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: 0.383
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: 150
Temperature: 1.350000
Total energy: -90.144807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.144807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.144807 (E_RNA)
where:
Base-Base interactions energy: -38.494
where: short stacking energy: -29.380
Base-Backbone interact. energy: -0.070
local terms energy: -51.580401
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -1.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -190.743808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.743808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.743808 (E_RNA)
where:
Base-Base interactions energy: -116.062
where: short stacking energy: -59.568
Base-Backbone interact. energy: 0.404
local terms energy: -75.085717
where:
bonds (distance) C4'-P energy: -16.499
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -19.959
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: 2
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -183.803659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.803659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.803659 (E_RNA)
where:
Base-Base interactions energy: -111.804
where: short stacking energy: -56.714
Base-Backbone interact. energy: -1.507
local terms energy: -70.492733
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -15.784
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: 9
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -183.843275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.843275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.843275 (E_RNA)
where:
Base-Base interactions energy: -114.681
where: short stacking energy: -63.895
Base-Backbone interact. energy: -0.345
local terms energy: -68.818011
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -13.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -158.374043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.374043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.374043 (E_RNA)
where:
Base-Base interactions energy: -100.716
where: short stacking energy: -42.755
Base-Backbone interact. energy: 0.274
local terms energy: -57.932218
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -4.660
tors. eta vs tors. theta energy: -10.337
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: 5, replica: 8
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -124.450816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.450816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.450816 (E_RNA)
where:
Base-Base interactions energy: -68.227
where: short stacking energy: -32.218
Base-Backbone interact. energy: -0.125
local terms energy: -56.099029
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -10.324
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: 6, replica: 1
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -108.504437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.504437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.504437 (E_RNA)
where:
Base-Base interactions energy: -44.702
where: short stacking energy: -44.702
Base-Backbone interact. energy: -0.151
local terms energy: -63.651570
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -12.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -152.112152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.112152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.112152 (E_RNA)
where:
Base-Base interactions energy: -91.091
where: short stacking energy: -49.119
Base-Backbone interact. energy: -0.008
local terms energy: -61.012683
where:
bonds (distance) C4'-P energy: -8.447
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -12.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -77.722753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.722753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.722753 (E_RNA)
where:
Base-Base interactions energy: -31.001
where: short stacking energy: -26.113
Base-Backbone interact. energy: 0.957
local terms energy: -47.679249
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -10.476
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -2.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -82.240619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.240619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.240619 (E_RNA)
where:
Base-Base interactions energy: -22.588
where: short stacking energy: -18.521
Base-Backbone interact. energy: -0.758
local terms energy: -58.894898
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -6.068
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: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -81.865867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.865867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.865867 (E_RNA)
where:
Base-Base interactions energy: -32.114
where: short stacking energy: -22.180
Base-Backbone interact. energy: -1.738
local terms energy: -48.014518
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -11.010
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -1.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -203.636211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.636211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.636211 (E_RNA)
where:
Base-Base interactions energy: -125.917
where: short stacking energy: -69.492
Base-Backbone interact. energy: -0.027
local terms energy: -77.692667
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -21.116
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: 2
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -194.919848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.919848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.919848 (E_RNA)
where:
Base-Base interactions energy: -118.677
where: short stacking energy: -61.997
Base-Backbone interact. energy: -0.016
local terms energy: -76.227178
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -18.130
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: 3, replica: 5
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -172.756055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.756055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.756055 (E_RNA)
where:
Base-Base interactions energy: -99.044
where: short stacking energy: -49.132
Base-Backbone interact. energy: -1.159
local terms energy: -72.553558
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -18.167
flat angles C4'-P-C4' energy: -18.227
flat angles P-C4'-P energy: -14.111
tors. eta vs tors. theta energy: -10.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -170.987439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.987439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.987439 (E_RNA)
where:
Base-Base interactions energy: -105.483
where: short stacking energy: -55.730
Base-Backbone interact. energy: -0.003
local terms energy: -65.501430
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -11.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -137.555875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.555875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.555875 (E_RNA)
where:
Base-Base interactions energy: -81.761
where: short stacking energy: -41.847
Base-Backbone interact. energy: 0.464
local terms energy: -56.259048
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -10.221
flat angles P-C4'-P energy: -4.980
tors. eta vs tors. theta energy: -10.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -88.314748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.314748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.314748 (E_RNA)
where:
Base-Base interactions energy: -33.084
where: short stacking energy: -32.980
Base-Backbone interact. energy: -1.091
local terms energy: -54.139241
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -1.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -143.668523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.668523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.668523 (E_RNA)
where:
Base-Base interactions energy: -86.114
where: short stacking energy: -38.985
Base-Backbone interact. energy: -0.147
local terms energy: -57.407698
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -9.725
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: 3
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -81.496458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.496458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.496458 (E_RNA)
where:
Base-Base interactions energy: -28.116
where: short stacking energy: -27.819
Base-Backbone interact. energy: 0.084
local terms energy: -53.464270
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -7.944
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -3.269
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: 152
Temperature: 1.300000
Total energy: -81.300048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.300048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.300048 (E_RNA)
where:
Base-Base interactions energy: -33.472
where: short stacking energy: -28.643
Base-Backbone interact. energy: -0.196
local terms energy: -47.631748
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -0.234
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: 7
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -84.841948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.841948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.841948 (E_RNA)
where:
Base-Base interactions energy: -31.844
where: short stacking energy: -31.844
Base-Backbone interact. energy: -0.005
local terms energy: -52.992632
where:
bonds (distance) C4'-P energy: -9.462
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -8.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -199.520523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.520523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.520523 (E_RNA)
where:
Base-Base interactions energy: -125.074
where: short stacking energy: -67.718
Base-Backbone interact. energy: -0.322
local terms energy: -74.124164
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -18.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -198.556374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.556374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.556374 (E_RNA)
where:
Base-Base interactions energy: -123.330
where: short stacking energy: -57.379
Base-Backbone interact. energy: -0.081
local terms energy: -75.144633
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -19.516
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: 5
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -186.541451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.541451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.541451 (E_RNA)
where:
Base-Base interactions energy: -111.915
where: short stacking energy: -56.964
Base-Backbone interact. energy: -0.074
local terms energy: -74.551728
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -18.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -165.630863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.630863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.630863 (E_RNA)
where:
Base-Base interactions energy: -97.127
where: short stacking energy: -51.823
Base-Backbone interact. energy: -0.039
local terms energy: -68.465140
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: -18.321
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: 8
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -168.387953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.387953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.387953 (E_RNA)
where:
Base-Base interactions energy: -96.733
where: short stacking energy: -47.724
Base-Backbone interact. energy: -0.068
local terms energy: -71.586793
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -15.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -153.041515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.041515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.041515 (E_RNA)
where:
Base-Base interactions energy: -92.607
where: short stacking energy: -47.714
Base-Backbone interact. energy: -0.124
local terms energy: -60.310858
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -9.534
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -9.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -90.562205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.562205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.562205 (E_RNA)
where:
Base-Base interactions energy: -35.826
where: short stacking energy: -31.942
Base-Backbone interact. energy: -0.867
local terms energy: -53.869068
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -4.522
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: 10
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -136.975550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.975550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.975550 (E_RNA)
where:
Base-Base interactions energy: -92.510
where: short stacking energy: -42.538
Base-Backbone interact. energy: -0.016
local terms energy: -44.449188
where:
bonds (distance) C4'-P energy: -8.985
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -7.731
flat angles P-C4'-P energy: -7.784
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: 3
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -87.524445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.524445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.524445 (E_RNA)
where:
Base-Base interactions energy: -42.058
where: short stacking energy: -35.106
Base-Backbone interact. energy: 0.504
local terms energy: -45.969907
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -8.996
flat angles P-C4'-P energy: -4.681
tors. eta vs tors. theta energy: -4.812
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: 7
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -84.810689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.810689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.810689 (E_RNA)
where:
Base-Base interactions energy: -27.643
where: short stacking energy: -26.507
Base-Backbone interact. energy: 0.541
local terms energy: -57.708657
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -3.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -208.371329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.371329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.371329 (E_RNA)
where:
Base-Base interactions energy: -125.882
where: short stacking energy: -74.092
Base-Backbone interact. energy: -0.010
local terms energy: -82.479389
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -13.542
tors. eta vs tors. theta energy: -20.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -197.142526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.142526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.142526 (E_RNA)
where:
Base-Base interactions energy: -121.772
where: short stacking energy: -59.500
Base-Backbone interact. energy: -0.078
local terms energy: -75.293113
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -17.773
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -17.514
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: 3, replica: 5
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -180.713435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.713435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.713435 (E_RNA)
where:
Base-Base interactions energy: -110.938
where: short stacking energy: -55.641
Base-Backbone interact. energy: -0.096
local terms energy: -69.679302
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -5.440
tors. eta vs tors. theta energy: -17.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -162.641554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.641554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.641554 (E_RNA)
where:
Base-Base interactions energy: -93.034
where: short stacking energy: -47.395
Base-Backbone interact. energy: -0.138
local terms energy: -69.469725
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -10.548
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: 8
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -166.152437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.152437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.152437 (E_RNA)
where:
Base-Base interactions energy: -104.933
where: short stacking energy: -51.174
Base-Backbone interact. energy: -0.662
local terms energy: -60.557808
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -10.671
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -16.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -135.661670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.661670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.661670 (E_RNA)
where:
Base-Base interactions energy: -71.765
where: short stacking energy: -43.065
Base-Backbone interact. energy: -0.265
local terms energy: -63.631509
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -10.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -117.448880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.448880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.448880 (E_RNA)
where:
Base-Base interactions energy: -70.954
where: short stacking energy: -27.131
Base-Backbone interact. energy: -0.178
local terms energy: -46.317132
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -8.648
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: 1.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -82.521504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.521504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.521504 (E_RNA)
where:
Base-Base interactions energy: -22.813
where: short stacking energy: -22.813
Base-Backbone interact. energy: -0.220
local terms energy: -59.488523
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -3.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -79.115410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.115410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.115410 (E_RNA)
where:
Base-Base interactions energy: -23.441
where: short stacking energy: -23.243
Base-Backbone interact. energy: -0.367
local terms energy: -55.307624
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -13.794
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -6.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -93.986028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.986028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.986028 (E_RNA)
where:
Base-Base interactions energy: -34.674
where: short stacking energy: -27.592
Base-Backbone interact. energy: 0.078
local terms energy: -59.389902
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -5.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -202.409060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.409060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.409060 (E_RNA)
where:
Base-Base interactions energy: -129.756
where: short stacking energy: -72.565
Base-Backbone interact. energy: -0.103
local terms energy: -72.550422
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -23.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -202.966004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.966004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.966004 (E_RNA)
where:
Base-Base interactions energy: -128.222
where: short stacking energy: -61.154
Base-Backbone interact. energy: -0.065
local terms energy: -74.678440
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -18.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -181.536172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.536172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.536172 (E_RNA)
where:
Base-Base interactions energy: -110.417
where: short stacking energy: -64.762
Base-Backbone interact. energy: -0.375
local terms energy: -70.743681
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -19.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -180.622455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.622455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.622455 (E_RNA)
where:
Base-Base interactions energy: -109.187
where: short stacking energy: -54.881
Base-Backbone interact. energy: -0.130
local terms energy: -71.305629
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -17.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -163.100916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.100916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.100916 (E_RNA)
where:
Base-Base interactions energy: -95.187
where: short stacking energy: -52.501
Base-Backbone interact. energy: -0.748
local terms energy: -67.166440
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -9.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -135.181116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.181116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.181116 (E_RNA)
where:
Base-Base interactions energy: -79.778
where: short stacking energy: -38.847
Base-Backbone interact. energy: -0.562
local terms energy: -54.840784
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -5.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -96.104772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.104772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.104772 (E_RNA)
where:
Base-Base interactions energy: -39.715
where: short stacking energy: -29.131
Base-Backbone interact. energy: -0.881
local terms energy: -55.508896
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -9.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -90.801336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.801336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.801336 (E_RNA)
where:
Base-Base interactions energy: -37.729
where: short stacking energy: -36.552
Base-Backbone interact. energy: -0.075
local terms energy: -52.998036
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -9.735
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -4.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -76.821788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.821788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.821788 (E_RNA)
where:
Base-Base interactions energy: -25.188
where: short stacking energy: -25.188
Base-Backbone interact. energy: -0.138
local terms energy: -51.495447
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -12.102
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -2.962
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: 10, replica: 7
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -85.640845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.640845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.640845 (E_RNA)
where:
Base-Base interactions energy: -36.246
where: short stacking energy: -23.509
Base-Backbone interact. energy: -0.079
local terms energy: -49.315448
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -4.101
tors. eta vs tors. theta energy: 1.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -199.828167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.828167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.828167 (E_RNA)
where:
Base-Base interactions energy: -125.451
where: short stacking energy: -68.219
Base-Backbone interact. energy: -0.103
local terms energy: -74.274153
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -17.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -197.484814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.484814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.484814 (E_RNA)
where:
Base-Base interactions energy: -121.113
where: short stacking energy: -62.202
Base-Backbone interact. energy: -1.006
local terms energy: -75.366052
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -19.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -191.207832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.207832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.207832 (E_RNA)
where:
Base-Base interactions energy: -117.865
where: short stacking energy: -61.372
Base-Backbone interact. energy: -0.363
local terms energy: -72.979783
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -15.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -181.059569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.059569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.059569 (E_RNA)
where:
Base-Base interactions energy: -107.993
where: short stacking energy: -57.599
Base-Backbone interact. energy: -0.108
local terms energy: -72.958063
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -16.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -166.407686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.407686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.407686 (E_RNA)
where:
Base-Base interactions energy: -99.904
where: short stacking energy: -58.606
Base-Backbone interact. energy: -0.307
local terms energy: -66.195782
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -9.615
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -12.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -155.790847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.790847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.790847 (E_RNA)
where:
Base-Base interactions energy: -90.042
where: short stacking energy: -46.273
Base-Backbone interact. energy: -0.381
local terms energy: -65.367681
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -10.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -92.726850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.726850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.726850 (E_RNA)
where:
Base-Base interactions energy: -37.664
where: short stacking energy: -22.330
Base-Backbone interact. energy: -0.122
local terms energy: -54.941243
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -4.648
tors. eta vs tors. theta energy: -4.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -92.873761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.873761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.873761 (E_RNA)
where:
Base-Base interactions energy: -34.828
where: short stacking energy: -22.925
Base-Backbone interact. energy: -0.036
local terms energy: -58.010081
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: -1.178
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: 7
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -87.250098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.250098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.250098 (E_RNA)
where:
Base-Base interactions energy: -27.962
where: short stacking energy: -27.962
Base-Backbone interact. energy: -0.004
local terms energy: -59.283770
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -8.910
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: 3
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -79.522657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.522657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.522657 (E_RNA)
where:
Base-Base interactions energy: -33.963
where: short stacking energy: -33.963
Base-Backbone interact. energy: -0.117
local terms energy: -45.442512
where:
bonds (distance) C4'-P energy: -7.685
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -1.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -201.998975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.998975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.998975 (E_RNA)
where:
Base-Base interactions energy: -128.517
where: short stacking energy: -70.137
Base-Backbone interact. energy: 0.114
local terms energy: -73.595967
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -11.273
flat angles C4'-P-C4' energy: -18.136
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -19.849
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: 157
Temperature: 0.950000
Total energy: -186.078431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.078431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.078431 (E_RNA)
where:
Base-Base interactions energy: -116.902
where: short stacking energy: -60.181
Base-Backbone interact. energy: -1.116
local terms energy: -68.060592
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: -16.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -180.613796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.613796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.613796 (E_RNA)
where:
Base-Base interactions energy: -114.147
where: short stacking energy: -60.007
Base-Backbone interact. energy: -0.133
local terms energy: -66.333614
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -14.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -155.817297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.817297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.817297 (E_RNA)
where:
Base-Base interactions energy: -94.000
where: short stacking energy: -50.483
Base-Backbone interact. energy: -0.056
local terms energy: -61.760525
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -9.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -156.565081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.565081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.565081 (E_RNA)
where:
Base-Base interactions energy: -101.026
where: short stacking energy: -44.408
Base-Backbone interact. energy: -0.671
local terms energy: -54.867474
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -5.912
tors. eta vs tors. theta energy: -8.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -145.255333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.255333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.255333 (E_RNA)
where:
Base-Base interactions energy: -88.587
where: short stacking energy: -38.226
Base-Backbone interact. energy: -0.063
local terms energy: -56.605256
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -11.234
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -5.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -100.501038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.501038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.501038 (E_RNA)
where:
Base-Base interactions energy: -42.593
where: short stacking energy: -42.593
Base-Backbone interact. energy: 0.556
local terms energy: -58.464189
where:
bonds (distance) C4'-P energy: -8.349
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -8.420
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: 7
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -80.810058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.810058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.810058 (E_RNA)
where:
Base-Base interactions energy: -32.483
where: short stacking energy: -23.750
Base-Backbone interact. energy: -0.564
local terms energy: -47.762766
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -10.459
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -2.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -77.455820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.455820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.455820 (E_RNA)
where:
Base-Base interactions energy: -30.876
where: short stacking energy: -29.027
Base-Backbone interact. energy: -0.153
local terms energy: -46.427441
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -11.289
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -7.754
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: 3
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -92.413457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.413457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.413457 (E_RNA)
where:
Base-Base interactions energy: -35.038
where: short stacking energy: -35.038
Base-Backbone interact. energy: -0.068
local terms energy: -57.307038
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -7.203
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: 1, replica: 2
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -198.220317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.220317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.220317 (E_RNA)
where:
Base-Base interactions energy: -115.119
where: short stacking energy: -66.060
Base-Backbone interact. energy: -0.038
local terms energy: -83.063611
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -18.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -180.086738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.086738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.086738 (E_RNA)
where:
Base-Base interactions energy: -114.623
where: short stacking energy: -54.422
Base-Backbone interact. energy: -0.427
local terms energy: -65.036156
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -11.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -168.130050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.130050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.130050 (E_RNA)
where:
Base-Base interactions energy: -103.465
where: short stacking energy: -56.048
Base-Backbone interact. energy: 0.464
local terms energy: -65.128543
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -9.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -172.301485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.301485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.301485 (E_RNA)
where:
Base-Base interactions energy: -110.419
where: short stacking energy: -59.237
Base-Backbone interact. energy: -0.089
local terms energy: -61.794065
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -15.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -174.326918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.326918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.326918 (E_RNA)
where:
Base-Base interactions energy: -96.868
where: short stacking energy: -58.181
Base-Backbone interact. energy: -0.102
local terms energy: -77.356248
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -12.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -159.888788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.888788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.888788 (E_RNA)
where:
Base-Base interactions energy: -98.566
where: short stacking energy: -55.442
Base-Backbone interact. energy: -0.018
local terms energy: -61.304840
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -14.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -96.160355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.160355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.160355 (E_RNA)
where:
Base-Base interactions energy: -43.686
where: short stacking energy: -43.566
Base-Backbone interact. energy: -0.053
local terms energy: -52.421205
where:
bonds (distance) C4'-P energy: -7.702
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -5.171
tors. eta vs tors. theta energy: -12.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -95.595741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.595741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.595741 (E_RNA)
where:
Base-Base interactions energy: -37.070
where: short stacking energy: -37.070
Base-Backbone interact. energy: -0.222
local terms energy: -58.303665
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -10.502
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: 158
Temperature: 1.300000
Total energy: -83.689897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.689897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.689897 (E_RNA)
where:
Base-Base interactions energy: -40.339
where: short stacking energy: -30.133
Base-Backbone interact. energy: -0.144
local terms energy: -43.207145
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -3.489
tors. eta vs tors. theta energy: -1.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -77.662649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.662649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.662649 (E_RNA)
where:
Base-Base interactions energy: -26.411
where: short stacking energy: -26.411
Base-Backbone interact. energy: -0.153
local terms energy: -51.099172
where:
bonds (distance) C4'-P energy: -9.282
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -10.055
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: 1, replica: 2
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -201.112119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.112119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.112119 (E_RNA)
where:
Base-Base interactions energy: -121.229
where: short stacking energy: -70.775
Base-Backbone interact. energy: -0.001
local terms energy: -79.882580
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -20.964
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: 5
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -193.764469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.764469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.764469 (E_RNA)
where:
Base-Base interactions energy: -119.916
where: short stacking energy: -61.566
Base-Backbone interact. energy: -0.080
local terms energy: -73.768931
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -14.273
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: 8
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -161.786970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.786970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.786970 (E_RNA)
where:
Base-Base interactions energy: -92.943
where: short stacking energy: -55.213
Base-Backbone interact. energy: -0.262
local terms energy: -68.582116
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -13.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -174.159183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.159183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.159183 (E_RNA)
where:
Base-Base interactions energy: -103.357
where: short stacking energy: -60.541
Base-Backbone interact. energy: -0.001
local terms energy: -70.801142
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -11.094
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: 5, replica: 4
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -181.075828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.075828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.075828 (E_RNA)
where:
Base-Base interactions energy: -114.294
where: short stacking energy: -66.067
Base-Backbone interact. energy: -0.011
local terms energy: -66.770681
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -10.154
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -16.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -160.652507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.652507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.652507 (E_RNA)
where:
Base-Base interactions energy: -97.767
where: short stacking energy: -46.628
Base-Backbone interact. energy: -0.242
local terms energy: -62.643256
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -12.097
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -13.026
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: 7, replica: 1
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -92.254717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.254717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.254717 (E_RNA)
where:
Base-Base interactions energy: -40.033
where: short stacking energy: -35.875
Base-Backbone interact. energy: -0.768
local terms energy: -51.454193
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -6.607
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -7.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -100.433272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.433272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.433272 (E_RNA)
where:
Base-Base interactions energy: -39.290
where: short stacking energy: -34.857
Base-Backbone interact. energy: -0.015
local terms energy: -61.128105
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -10.501
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -9.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -76.708221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.708221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.708221 (E_RNA)
where:
Base-Base interactions energy: -26.930
where: short stacking energy: -26.930
Base-Backbone interact. energy: -0.020
local terms energy: -49.758319
where:
bonds (distance) C4'-P energy: -7.659
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -12.019
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: 10, replica: 10
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -77.649267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.649267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.649267 (E_RNA)
where:
Base-Base interactions energy: -29.276
where: short stacking energy: -29.276
Base-Backbone interact. energy: -0.051
local terms energy: -48.322425
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -10.028
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -1.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -180.534331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.534331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.534331 (E_RNA)
where:
Base-Base interactions energy: -109.307
where: short stacking energy: -64.909
Base-Backbone interact. energy: -0.102
local terms energy: -71.125322
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -15.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -217.854881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.854881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.854881 (E_RNA)
where:
Base-Base interactions energy: -139.045
where: short stacking energy: -65.994
Base-Backbone interact. energy: -0.144
local terms energy: -78.666079
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -16.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -166.483996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.483996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.483996 (E_RNA)
where:
Base-Base interactions energy: -97.867
where: short stacking energy: -58.890
Base-Backbone interact. energy: -0.100
local terms energy: -68.516584
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -16.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -162.051815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.051815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.051815 (E_RNA)
where:
Base-Base interactions energy: -99.339
where: short stacking energy: -53.455
Base-Backbone interact. energy: -0.223
local terms energy: -62.489477
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -16.225
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: 6
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -158.819464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.819464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.819464 (E_RNA)
where:
Base-Base interactions energy: -94.838
where: short stacking energy: -44.754
Base-Backbone interact. energy: -0.922
local terms energy: -63.059051
where:
bonds (distance) C4'-P energy: -10.584
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -10.987
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: 6, replica: 4
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -174.137966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.137966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.137966 (E_RNA)
where:
Base-Base interactions energy: -102.081
where: short stacking energy: -45.126
Base-Backbone interact. energy: -0.168
local terms energy: -71.889372
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -15.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -94.437048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.437048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.437048 (E_RNA)
where:
Base-Base interactions energy: -42.531
where: short stacking energy: -36.639
Base-Backbone interact. energy: 0.298
local terms energy: -52.203775
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -11.104
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -8.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -85.667065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.667065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.667065 (E_RNA)
where:
Base-Base interactions energy: -30.312
where: short stacking energy: -30.276
Base-Backbone interact. energy: -0.097
local terms energy: -55.257682
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -0.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -79.438073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.438073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.438073 (E_RNA)
where:
Base-Base interactions energy: -33.602
where: short stacking energy: -29.326
Base-Backbone interact. energy: 1.230
local terms energy: -47.066718
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -9.174
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -2.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -69.074778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.074778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.074778 (E_RNA)
where:
Base-Base interactions energy: -18.712
where: short stacking energy: -18.263
Base-Backbone interact. energy: -0.415
local terms energy: -49.948289
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: 1.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -186.872332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.872332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.872332 (E_RNA)
where:
Base-Base interactions energy: -105.249
where: short stacking energy: -63.455
Base-Backbone interact. energy: -0.074
local terms energy: -81.549390
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -19.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -203.960798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.960798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.960798 (E_RNA)
where:
Base-Base interactions energy: -129.145
where: short stacking energy: -59.460
Base-Backbone interact. energy: -0.195
local terms energy: -74.621126
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -16.624
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -17.431
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: 161
Temperature: 1.000000
Total energy: -169.310782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.310782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.310782 (E_RNA)
where:
Base-Base interactions energy: -104.724
where: short stacking energy: -61.537
Base-Backbone interact. energy: -0.044
local terms energy: -64.542860
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -16.250
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: 6
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -161.080757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.080757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.080757 (E_RNA)
where:
Base-Base interactions energy: -100.227
where: short stacking energy: -47.627
Base-Backbone interact. energy: -0.266
local terms energy: -60.587633
where:
bonds (distance) C4'-P energy: -6.763
bonds (distance) P-C4' energy: -16.091
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -11.648
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: 5, replica: 8
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -162.111159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.111159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.111159 (E_RNA)
where:
Base-Base interactions energy: -101.361
where: short stacking energy: -52.071
Base-Backbone interact. energy: -0.485
local terms energy: -60.264805
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -9.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -156.830115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.830115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.830115 (E_RNA)
where:
Base-Base interactions energy: -90.690
where: short stacking energy: -47.063
Base-Backbone interact. energy: -0.194
local terms energy: -65.946715
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -12.042
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: 3
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -85.945373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.945373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.945373 (E_RNA)
where:
Base-Base interactions energy: -31.808
where: short stacking energy: -31.808
Base-Backbone interact. energy: 2.270
local terms energy: -56.407016
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -8.422
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: 8, replica: 10
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -95.762208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.762208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.762208 (E_RNA)
where:
Base-Base interactions energy: -35.719
where: short stacking energy: -35.719
Base-Backbone interact. energy: -0.017
local terms energy: -60.025402
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -6.889
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: 1
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -83.176770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.176770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.176770 (E_RNA)
where:
Base-Base interactions energy: -35.076
where: short stacking energy: -35.076
Base-Backbone interact. energy: 0.833
local terms energy: -48.933490
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -10.013
flat angles C4'-P-C4' energy: -10.621
flat angles P-C4'-P energy: -5.998
tors. eta vs tors. theta energy: -6.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -72.464391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.464391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.464391 (E_RNA)
where:
Base-Base interactions energy: -25.217
where: short stacking energy: -24.361
Base-Backbone interact. energy: -0.109
local terms energy: -47.139044
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: -4.474
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: 2
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -203.629646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.629646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.629646 (E_RNA)
where:
Base-Base interactions energy: -131.472
where: short stacking energy: -60.418
Base-Backbone interact. energy: -0.930
local terms energy: -71.227221
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -12.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -185.841369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.841369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.841369 (E_RNA)
where:
Base-Base interactions energy: -116.537
where: short stacking energy: -52.632
Base-Backbone interact. energy: 0.804
local terms energy: -70.108797
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -9.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -176.654785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.654785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.654785 (E_RNA)
where:
Base-Base interactions energy: -108.702
where: short stacking energy: -50.825
Base-Backbone interact. energy: -0.031
local terms energy: -67.921465
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -17.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -152.697854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.697854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.697854 (E_RNA)
where:
Base-Base interactions energy: -85.121
where: short stacking energy: -43.963
Base-Backbone interact. energy: -0.072
local terms energy: -67.504605
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -9.628
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: 4
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -154.681806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.681806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.681806 (E_RNA)
where:
Base-Base interactions energy: -82.664
where: short stacking energy: -51.520
Base-Backbone interact. energy: -0.311
local terms energy: -71.707241
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -13.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -164.834550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.834550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.834550 (E_RNA)
where:
Base-Base interactions energy: -105.752
where: short stacking energy: -53.438
Base-Backbone interact. energy: -0.428
local terms energy: -58.654508
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -9.090
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -5.959
tors. eta vs tors. theta energy: -11.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -88.762827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.762827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.762827 (E_RNA)
where:
Base-Base interactions energy: -39.378
where: short stacking energy: -39.378
Base-Backbone interact. energy: -0.174
local terms energy: -49.210200
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -10.906
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -2.637
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: 3
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -75.895353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.895353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.895353 (E_RNA)
where:
Base-Base interactions energy: -40.041
where: short stacking energy: -33.895
Base-Backbone interact. energy: -0.913
local terms energy: -34.940846
where:
bonds (distance) C4'-P energy: -5.051
bonds (distance) P-C4' energy: -10.613
flat angles C4'-P-C4' energy: -6.542
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -2.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -89.282421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.282421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.282421 (E_RNA)
where:
Base-Base interactions energy: -45.539
where: short stacking energy: -35.977
Base-Backbone interact. energy: -0.048
local terms energy: -43.694914
where:
bonds (distance) C4'-P energy: -7.991
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -8.081
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: 0.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -73.103408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.103408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.103408 (E_RNA)
where:
Base-Base interactions energy: -19.912
where: short stacking energy: -18.731
Base-Backbone interact. energy: -1.810
local terms energy: -51.381402
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -2.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -200.282250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.282250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.282250 (E_RNA)
where:
Base-Base interactions energy: -124.324
where: short stacking energy: -60.228
Base-Backbone interact. energy: -0.893
local terms energy: -75.064810
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -17.090
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: 5
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -192.541284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.541284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.541284 (E_RNA)
where:
Base-Base interactions energy: -129.554
where: short stacking energy: -58.265
Base-Backbone interact. energy: -0.410
local terms energy: -62.577372
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -10.824
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: 6
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -183.967180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.967180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.967180 (E_RNA)
where:
Base-Base interactions energy: -115.072
where: short stacking energy: -66.001
Base-Backbone interact. energy: -0.024
local terms energy: -68.871785
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -15.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -182.916611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.916611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.916611 (E_RNA)
where:
Base-Base interactions energy: -107.163
where: short stacking energy: -56.786
Base-Backbone interact. energy: -0.000
local terms energy: -75.752899
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -169.863178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.863178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.863178 (E_RNA)
where:
Base-Base interactions energy: -103.281
where: short stacking energy: -49.185
Base-Backbone interact. energy: -0.065
local terms energy: -66.517456
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -13.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -163.648869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.648869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.648869 (E_RNA)
where:
Base-Base interactions energy: -101.053
where: short stacking energy: -47.592
Base-Backbone interact. energy: -0.340
local terms energy: -62.256063
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -7.946
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -13.074
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: 163
Temperature: 1.200000
Total energy: -90.733901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.733901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.733901 (E_RNA)
where:
Base-Base interactions energy: -30.393
where: short stacking energy: -29.178
Base-Backbone interact. energy: -0.098
local terms energy: -60.243079
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -10.710
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -7.362
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: 163
Temperature: 1.250000
Total energy: -82.968352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.968352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.968352 (E_RNA)
where:
Base-Base interactions energy: -35.294
where: short stacking energy: -27.267
Base-Backbone interact. energy: -0.077
local terms energy: -47.597382
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -2.144
tors. eta vs tors. theta energy: -1.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -97.791835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.791835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.791835 (E_RNA)
where:
Base-Base interactions energy: -46.887
where: short stacking energy: -46.887
Base-Backbone interact. energy: -0.122
local terms energy: -50.782562
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -9.140
flat angles P-C4'-P energy: 0.898
tors. eta vs tors. theta energy: -13.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -75.787022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.787022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.787022 (E_RNA)
where:
Base-Base interactions energy: -24.992
where: short stacking energy: -18.659
Base-Backbone interact. energy: 0.185
local terms energy: -50.980559
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -2.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -200.954688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.954688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.954688 (E_RNA)
where:
Base-Base interactions energy: -128.358
where: short stacking energy: -66.082
Base-Backbone interact. energy: -0.129
local terms energy: -72.468076
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -17.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -197.528553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.528553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.528553 (E_RNA)
where:
Base-Base interactions energy: -123.629
where: short stacking energy: -64.867
Base-Backbone interact. energy: -0.042
local terms energy: -73.856951
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -18.750
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -14.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -191.865265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.865265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.865265 (E_RNA)
where:
Base-Base interactions energy: -118.776
where: short stacking energy: -66.319
Base-Backbone interact. energy: -0.237
local terms energy: -72.851793
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -18.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -166.817551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.817551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.817551 (E_RNA)
where:
Base-Base interactions energy: -103.764
where: short stacking energy: -50.199
Base-Backbone interact. energy: -0.234
local terms energy: -62.819217
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -10.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -174.508234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.508234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.508234 (E_RNA)
where:
Base-Base interactions energy: -103.658
where: short stacking energy: -52.179
Base-Backbone interact. energy: -0.001
local terms energy: -70.849275
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -15.810
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: 6, replica: 8
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -171.469000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.469000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.469000 (E_RNA)
where:
Base-Base interactions energy: -96.996
where: short stacking energy: -59.786
Base-Backbone interact. energy: -0.041
local terms energy: -74.432232
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -18.067
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -20.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -78.473448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.473448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.473448 (E_RNA)
where:
Base-Base interactions energy: -27.773
where: short stacking energy: -27.773
Base-Backbone interact. energy: -0.028
local terms energy: -50.672307
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -8.222
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: 8, replica: 10
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -85.488019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.488019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.488019 (E_RNA)
where:
Base-Base interactions energy: -33.714
where: short stacking energy: -29.978
Base-Backbone interact. energy: -0.058
local terms energy: -51.716064
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -5.419
tors. eta vs tors. theta energy: -2.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -95.812617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.812617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.812617 (E_RNA)
where:
Base-Base interactions energy: -39.321
where: short stacking energy: -30.066
Base-Backbone interact. energy: -0.883
local terms energy: -55.607892
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -10.562
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: 3
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -79.304154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.304154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.304154 (E_RNA)
where:
Base-Base interactions energy: -30.010
where: short stacking energy: -30.010
Base-Backbone interact. energy: -0.040
local terms energy: -49.254192
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -10.101
flat angles P-C4'-P energy: -3.473
tors. eta vs tors. theta energy: -10.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -201.909420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.909420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.909420 (E_RNA)
where:
Base-Base interactions energy: -130.335
where: short stacking energy: -69.202
Base-Backbone interact. energy: -0.530
local terms energy: -71.045012
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -17.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -192.550971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.550971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.550971 (E_RNA)
where:
Base-Base interactions energy: -119.530
where: short stacking energy: -64.828
Base-Backbone interact. energy: -0.003
local terms energy: -73.017863
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -17.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -185.181135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.181135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.181135 (E_RNA)
where:
Base-Base interactions energy: -110.644
where: short stacking energy: -62.353
Base-Backbone interact. energy: -0.061
local terms energy: -74.476873
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -18.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -163.827685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.827685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.827685 (E_RNA)
where:
Base-Base interactions energy: -96.935
where: short stacking energy: -45.244
Base-Backbone interact. energy: -0.166
local terms energy: -66.726140
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -14.485
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -10.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -166.145772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.145772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.145772 (E_RNA)
where:
Base-Base interactions energy: -98.112
where: short stacking energy: -49.893
Base-Backbone interact. energy: -0.071
local terms energy: -67.962448
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -13.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -153.536660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.536660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.536660 (E_RNA)
where:
Base-Base interactions energy: -93.995
where: short stacking energy: -58.343
Base-Backbone interact. energy: -0.410
local terms energy: -59.131303
where:
bonds (distance) C4'-P energy: -7.636
bonds (distance) P-C4' energy: -10.129
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -12.404
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: 7
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -86.282479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.282479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.282479 (E_RNA)
where:
Base-Base interactions energy: -26.567
where: short stacking energy: -26.567
Base-Backbone interact. energy: -0.037
local terms energy: -59.678192
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -8.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -80.230793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.230793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.230793 (E_RNA)
where:
Base-Base interactions energy: -35.983
where: short stacking energy: -35.698
Base-Backbone interact. energy: -0.049
local terms energy: -44.198310
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -17.003
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -1.336
tors. eta vs tors. theta energy: 0.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -74.819300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.819300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.819300 (E_RNA)
where:
Base-Base interactions energy: -30.555
where: short stacking energy: -30.555
Base-Backbone interact. energy: 2.626
local terms energy: -46.890930
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -8.920
flat angles P-C4'-P energy: -4.635
tors. eta vs tors. theta energy: -0.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -81.309936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.309936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.309936 (E_RNA)
where:
Base-Base interactions energy: -27.271
where: short stacking energy: -27.271
Base-Backbone interact. energy: -0.059
local terms energy: -53.979672
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -5.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -206.687617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.687617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.687617 (E_RNA)
where:
Base-Base interactions energy: -127.772
where: short stacking energy: -56.128
Base-Backbone interact. energy: -0.129
local terms energy: -78.786926
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -14.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -192.619097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.619097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.619097 (E_RNA)
where:
Base-Base interactions energy: -124.068
where: short stacking energy: -61.181
Base-Backbone interact. energy: -0.275
local terms energy: -68.275595
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -11.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -174.190635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.190635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.190635 (E_RNA)
where:
Base-Base interactions energy: -111.241
where: short stacking energy: -51.823
Base-Backbone interact. energy: -0.025
local terms energy: -62.924519
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -11.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -142.548032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.548032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.548032 (E_RNA)
where:
Base-Base interactions energy: -83.678
where: short stacking energy: -52.066
Base-Backbone interact. energy: -0.431
local terms energy: -58.439435
where:
bonds (distance) C4'-P energy: -8.058
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -5.165
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: 5, replica: 6
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -167.637386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.637386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.637386 (E_RNA)
where:
Base-Base interactions energy: -98.141
where: short stacking energy: -49.587
Base-Backbone interact. energy: -0.089
local terms energy: -69.406665
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -11.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -167.957653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.957653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.957653 (E_RNA)
where:
Base-Base interactions energy: -102.820
where: short stacking energy: -45.456
Base-Backbone interact. energy: -0.105
local terms energy: -65.031963
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -10.506
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -19.333
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: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -89.875857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.875857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.875857 (E_RNA)
where:
Base-Base interactions energy: -36.308
where: short stacking energy: -36.308
Base-Backbone interact. energy: 0.358
local terms energy: -53.926001
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -10.340
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -7.340
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: 7
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -91.984606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.984606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.984606 (E_RNA)
where:
Base-Base interactions energy: -37.034
where: short stacking energy: -36.235
Base-Backbone interact. energy: -0.115
local terms energy: -54.835203
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -9.932
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -9.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -107.048849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.048849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.048849 (E_RNA)
where:
Base-Base interactions energy: -68.077
where: short stacking energy: -32.888
Base-Backbone interact. energy: -0.264
local terms energy: -38.708320
where:
bonds (distance) C4'-P energy: -4.997
bonds (distance) P-C4' energy: -8.369
flat angles C4'-P-C4' energy: -11.140
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -83.469005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.469005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.469005 (E_RNA)
where:
Base-Base interactions energy: -38.364
where: short stacking energy: -29.451
Base-Backbone interact. energy: -0.875
local terms energy: -44.229097
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -9.753
flat angles P-C4'-P energy: -5.332
tors. eta vs tors. theta energy: 0.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -211.077335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.077335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.077335 (E_RNA)
where:
Base-Base interactions energy: -133.904
where: short stacking energy: -62.975
Base-Backbone interact. energy: 3.169
local terms energy: -80.343095
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -18.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -188.475769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.475769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.475769 (E_RNA)
where:
Base-Base interactions energy: -115.683
where: short stacking energy: -60.768
Base-Backbone interact. energy: -0.003
local terms energy: -72.790012
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -15.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -189.892744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.892744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.892744 (E_RNA)
where:
Base-Base interactions energy: -119.420
where: short stacking energy: -63.340
Base-Backbone interact. energy: -0.137
local terms energy: -70.335936
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -11.527
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -19.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -165.142803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.142803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.142803 (E_RNA)
where:
Base-Base interactions energy: -97.008
where: short stacking energy: -51.899
Base-Backbone interact. energy: -0.083
local terms energy: -68.051896
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -10.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -148.778152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.778152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.778152 (E_RNA)
where:
Base-Base interactions energy: -90.429
where: short stacking energy: -48.400
Base-Backbone interact. energy: -0.091
local terms energy: -58.258098
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -5.187
tors. eta vs tors. theta energy: -11.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -149.462519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.462519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.462519 (E_RNA)
where:
Base-Base interactions energy: -89.212
where: short stacking energy: -44.997
Base-Backbone interact. energy: -0.284
local terms energy: -59.966294
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -12.488
flat angles C4'-P-C4' energy: -10.982
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -9.752
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: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -83.291667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.291667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.291667 (E_RNA)
where:
Base-Base interactions energy: -33.777
where: short stacking energy: -23.756
Base-Backbone interact. energy: -0.173
local terms energy: -49.342150
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -0.753
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: 3
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -107.177048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.177048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.177048 (E_RNA)
where:
Base-Base interactions energy: -56.828
where: short stacking energy: -25.062
Base-Backbone interact. energy: -0.141
local terms energy: -50.207608
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -10.376
flat angles P-C4'-P energy: -7.098
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: 7
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -77.835710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.835710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.835710 (E_RNA)
where:
Base-Base interactions energy: -24.736
where: short stacking energy: -24.004
Base-Backbone interact. energy: -0.113
local terms energy: -52.987184
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -3.902
tors. eta vs tors. theta energy: -5.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -77.101997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.101997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.101997 (E_RNA)
where:
Base-Base interactions energy: -29.079
where: short stacking energy: -13.975
Base-Backbone interact. energy: -0.277
local terms energy: -47.746546
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -7.803
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: 4
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -188.377439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.377439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.377439 (E_RNA)
where:
Base-Base interactions energy: -118.192
where: short stacking energy: -61.168
Base-Backbone interact. energy: -0.112
local terms energy: -70.073651
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -16.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -206.325777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.325777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.325777 (E_RNA)
where:
Base-Base interactions energy: -133.032
where: short stacking energy: -68.527
Base-Backbone interact. energy: -0.036
local terms energy: -73.257600
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -17.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -204.158366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.158366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.158366 (E_RNA)
where:
Base-Base interactions energy: -135.728
where: short stacking energy: -64.119
Base-Backbone interact. energy: -0.120
local terms energy: -68.310609
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -16.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -169.613428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.613428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.613428 (E_RNA)
where:
Base-Base interactions energy: -108.139
where: short stacking energy: -45.073
Base-Backbone interact. energy: -0.580
local terms energy: -60.894022
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -12.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -141.215973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.215973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.215973 (E_RNA)
where:
Base-Base interactions energy: -84.119
where: short stacking energy: -40.290
Base-Backbone interact. energy: -1.423
local terms energy: -55.674172
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -7.765
flat angles P-C4'-P energy: -11.097
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: 6, replica: 9
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -135.501587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.501587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.501587 (E_RNA)
where:
Base-Base interactions energy: -71.506
where: short stacking energy: -44.998
Base-Backbone interact. energy: -0.639
local terms energy: -63.356967
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -13.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -82.444439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.444439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.444439 (E_RNA)
where:
Base-Base interactions energy: -33.905
where: short stacking energy: -30.725
Base-Backbone interact. energy: 0.011
local terms energy: -48.550560
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -7.483
flat angles P-C4'-P energy: -10.808
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: 8, replica: 10
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -83.961197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.961197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.961197 (E_RNA)
where:
Base-Base interactions energy: -32.967
where: short stacking energy: -24.569
Base-Backbone interact. energy: 1.323
local terms energy: -52.318050
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -0.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -108.330883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.330883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.330883 (E_RNA)
where:
Base-Base interactions energy: -57.029
where: short stacking energy: -30.557
Base-Backbone interact. energy: -0.461
local terms energy: -50.840505
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -4.203
tors. eta vs tors. theta energy: -5.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -75.540399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.540399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.540399 (E_RNA)
where:
Base-Base interactions energy: -31.953
where: short stacking energy: -27.221
Base-Backbone interact. energy: 0.149
local terms energy: -43.736401
where:
bonds (distance) C4'-P energy: -8.609
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -11.906
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: 0.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -196.077131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.077131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.077131 (E_RNA)
where:
Base-Base interactions energy: -119.968
where: short stacking energy: -62.226
Base-Backbone interact. energy: -0.053
local terms energy: -76.056268
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -17.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -197.792003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.792003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.792003 (E_RNA)
where:
Base-Base interactions energy: -125.566
where: short stacking energy: -67.403
Base-Backbone interact. energy: -0.004
local terms energy: -72.221889
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -11.656
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -204.095266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.095266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.095266 (E_RNA)
where:
Base-Base interactions energy: -130.395
where: short stacking energy: -61.469
Base-Backbone interact. energy: -1.033
local terms energy: -72.666853
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -16.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -170.761104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.761104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.761104 (E_RNA)
where:
Base-Base interactions energy: -105.264
where: short stacking energy: -48.744
Base-Backbone interact. energy: -0.901
local terms energy: -64.596106
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -10.836
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: 5, replica: 6
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -161.825193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.825193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.825193 (E_RNA)
where:
Base-Base interactions energy: -93.206
where: short stacking energy: -49.669
Base-Backbone interact. energy: -0.185
local terms energy: -68.434924
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -15.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -132.398420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.398420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.398420 (E_RNA)
where:
Base-Base interactions energy: -81.297
where: short stacking energy: -35.947
Base-Backbone interact. energy: 0.489
local terms energy: -51.589921
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -8.425
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -6.130
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: 3
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -91.251741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.251741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.251741 (E_RNA)
where:
Base-Base interactions energy: -34.662
where: short stacking energy: -27.834
Base-Backbone interact. energy: -0.173
local terms energy: -56.416774
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -6.258
tors. eta vs tors. theta energy: -3.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -121.929975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.929975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.929975 (E_RNA)
where:
Base-Base interactions energy: -71.921
where: short stacking energy: -36.686
Base-Backbone interact. energy: -0.109
local terms energy: -49.899376
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -13.245
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -5.324
tors. eta vs tors. theta energy: -5.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -90.899176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.899176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.899176 (E_RNA)
where:
Base-Base interactions energy: -40.854
where: short stacking energy: -31.447
Base-Backbone interact. energy: -0.035
local terms energy: -50.009961
where:
bonds (distance) C4'-P energy: -8.554
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -6.466
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: 7
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -73.401001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.401001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.401001 (E_RNA)
where:
Base-Base interactions energy: -18.728
where: short stacking energy: -18.728
Base-Backbone interact. energy: 0.114
local terms energy: -54.786590
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -7.902
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: 4
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -200.215041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.215041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.215041 (E_RNA)
where:
Base-Base interactions energy: -126.087
where: short stacking energy: -66.169
Base-Backbone interact. energy: -0.058
local terms energy: -74.070429
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -16.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -198.150313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.150313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.150313 (E_RNA)
where:
Base-Base interactions energy: -127.704
where: short stacking energy: -64.021
Base-Backbone interact. energy: -0.020
local terms energy: -70.426197
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -14.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -175.878809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.878809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.878809 (E_RNA)
where:
Base-Base interactions energy: -111.370
where: short stacking energy: -61.511
Base-Backbone interact. energy: -0.513
local terms energy: -63.995535
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -11.819
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: 170
Temperature: 1.050000
Total energy: -202.462777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.462777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.462777 (E_RNA)
where:
Base-Base interactions energy: -132.958
where: short stacking energy: -60.979
Base-Backbone interact. energy: -0.167
local terms energy: -69.337580
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -3.478
tors. eta vs tors. theta energy: -16.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -161.259960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.259960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.259960 (E_RNA)
where:
Base-Base interactions energy: -93.972
where: short stacking energy: -46.415
Base-Backbone interact. energy: -0.127
local terms energy: -67.160008
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -9.829
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: 6
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -149.204209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.204209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.204209 (E_RNA)
where:
Base-Base interactions energy: -93.981
where: short stacking energy: -46.812
Base-Backbone interact. energy: -0.515
local terms energy: -54.708570
where:
bonds (distance) C4'-P energy: -8.297
bonds (distance) P-C4' energy: -8.386
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -12.852
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: 1
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -103.647242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.647242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.647242 (E_RNA)
where:
Base-Base interactions energy: -45.621
where: short stacking energy: -33.448
Base-Backbone interact. energy: -0.383
local terms energy: -57.643942
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: -7.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -84.767473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.767473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.767473 (E_RNA)
where:
Base-Base interactions energy: -34.427
where: short stacking energy: -31.451
Base-Backbone interact. energy: -0.067
local terms energy: -50.273512
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -10.639
flat angles C4'-P-C4' energy: -9.138
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -4.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -80.519650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.519650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.519650 (E_RNA)
where:
Base-Base interactions energy: -36.010
where: short stacking energy: -27.752
Base-Backbone interact. energy: 0.123
local terms energy: -44.632937
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -10.941
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: 4.404
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: 10
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -75.590094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.590094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.590094 (E_RNA)
where:
Base-Base interactions energy: -25.929
where: short stacking energy: -25.929
Base-Backbone interact. energy: -0.216
local terms energy: -49.444779
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -2.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -203.680786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.680786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.680786 (E_RNA)
where:
Base-Base interactions energy: -125.663
where: short stacking energy: -65.416
Base-Backbone interact. energy: -0.866
local terms energy: -77.152220
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -17.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -210.523296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.523296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.523296 (E_RNA)
where:
Base-Base interactions energy: -133.931
where: short stacking energy: -66.068
Base-Backbone interact. energy: -0.078
local terms energy: -76.514869
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -17.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -196.290690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.290690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.290690 (E_RNA)
where:
Base-Base interactions energy: -121.897
where: short stacking energy: -69.065
Base-Backbone interact. energy: -0.047
local terms energy: -74.346578
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -18.308
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: 9
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -161.604103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.604103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.604103 (E_RNA)
where:
Base-Base interactions energy: -101.169
where: short stacking energy: -41.536
Base-Backbone interact. energy: -0.213
local terms energy: -60.221821
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -10.718
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -5.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -175.223981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.223981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.223981 (E_RNA)
where:
Base-Base interactions energy: -113.005
where: short stacking energy: -57.027
Base-Backbone interact. energy: -0.039
local terms energy: -62.179821
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: -15.322
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: 1
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -105.533335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.533335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.533335 (E_RNA)
where:
Base-Base interactions energy: -46.183
where: short stacking energy: -46.183
Base-Backbone interact. energy: -0.007
local terms energy: -59.343199
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -8.957
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -12.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -153.827274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.827274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.827274 (E_RNA)
where:
Base-Base interactions energy: -97.691
where: short stacking energy: -53.339
Base-Backbone interact. energy: -0.051
local terms energy: -56.084756
where:
bonds (distance) C4'-P energy: -7.188
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -12.387
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: 7
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -82.971528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.971528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.971528 (E_RNA)
where:
Base-Base interactions energy: -31.236
where: short stacking energy: -30.001
Base-Backbone interact. energy: -0.046
local terms energy: -51.689700
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -7.561
flat angles P-C4'-P energy: -11.147
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: 9, replica: 3
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -79.361355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.361355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.361355 (E_RNA)
where:
Base-Base interactions energy: -30.117
where: short stacking energy: -23.830
Base-Backbone interact. energy: -0.747
local terms energy: -48.497559
where:
bonds (distance) C4'-P energy: -9.552
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -2.368
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: 10
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -76.308068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.308068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.308068 (E_RNA)
where:
Base-Base interactions energy: -30.143
where: short stacking energy: -30.143
Base-Backbone interact. energy: -0.344
local terms energy: -45.820817
where:
bonds (distance) C4'-P energy: -8.257
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: 0.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -205.958397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.958397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.958397 (E_RNA)
where:
Base-Base interactions energy: -137.244
where: short stacking energy: -71.108
Base-Backbone interact. energy: 4.058
local terms energy: -72.773187
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -16.071
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: 4
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -196.129869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.129869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.129869 (E_RNA)
where:
Base-Base interactions energy: -124.126
where: short stacking energy: -52.592
Base-Backbone interact. energy: -0.176
local terms energy: -71.826917
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -12.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -177.177996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.177996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.177996 (E_RNA)
where:
Base-Base interactions energy: -104.217
where: short stacking energy: -50.844
Base-Backbone interact. energy: -1.405
local terms energy: -71.556301
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -12.227
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -16.113
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: 172
Temperature: 1.050000
Total energy: -187.779353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.779353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.779353 (E_RNA)
where:
Base-Base interactions energy: -105.327
where: short stacking energy: -60.191
Base-Backbone interact. energy: 1.120
local terms energy: -83.572831
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -15.462
tors. eta vs tors. theta energy: -19.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -178.868122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.868122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.868122 (E_RNA)
where:
Base-Base interactions energy: -114.558
where: short stacking energy: -62.867
Base-Backbone interact. energy: 0.484
local terms energy: -64.793482
where:
bonds (distance) C4'-P energy: -10.110
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -16.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -121.350015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.350015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.350015 (E_RNA)
where:
Base-Base interactions energy: -58.429
where: short stacking energy: -47.855
Base-Backbone interact. energy: -0.194
local terms energy: -62.726252
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -11.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -145.452262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.452262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.452262 (E_RNA)
where:
Base-Base interactions energy: -92.201
where: short stacking energy: -42.048
Base-Backbone interact. energy: -0.213
local terms energy: -53.037914
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -9.895
flat angles P-C4'-P energy: -6.161
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: 8, replica: 7
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -94.509468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.509468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.509468 (E_RNA)
where:
Base-Base interactions energy: -42.827
where: short stacking energy: -35.001
Base-Backbone interact. energy: -0.215
local terms energy: -51.467998
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -8.764
flat angles P-C4'-P energy: -6.566
tors. eta vs tors. theta energy: -9.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -91.278032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.278032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.278032 (E_RNA)
where:
Base-Base interactions energy: -35.619
where: short stacking energy: -35.619
Base-Backbone interact. energy: -0.123
local terms energy: -55.535355
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -9.146
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: 3
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -87.916590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.916590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.916590 (E_RNA)
where:
Base-Base interactions energy: -32.289
where: short stacking energy: -18.674
Base-Backbone interact. energy: -0.111
local terms energy: -55.517101
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -10.947
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -2.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -212.452103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.452103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.452103 (E_RNA)
where:
Base-Base interactions energy: -130.040
where: short stacking energy: -63.923
Base-Backbone interact. energy: -0.048
local terms energy: -82.364349
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -13.352
tors. eta vs tors. theta energy: -18.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -193.589471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.589471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.589471 (E_RNA)
where:
Base-Base interactions energy: -117.876
where: short stacking energy: -65.002
Base-Backbone interact. energy: -0.173
local terms energy: -75.540612
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -20.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -182.794140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.794140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.794140 (E_RNA)
where:
Base-Base interactions energy: -118.796
where: short stacking energy: -61.199
Base-Backbone interact. energy: -0.003
local terms energy: -63.995217
where:
bonds (distance) C4'-P energy: -11.442
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -8.981
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -16.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -171.715694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.715694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.715694 (E_RNA)
where:
Base-Base interactions energy: -107.938
where: short stacking energy: -56.096
Base-Backbone interact. energy: -0.235
local terms energy: -63.542457
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -10.837
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -14.577
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: 5, replica: 9
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -173.332096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.332096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.332096 (E_RNA)
where:
Base-Base interactions energy: -100.482
where: short stacking energy: -47.599
Base-Backbone interact. energy: -0.137
local terms energy: -72.713391
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -11.712
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: 6, replica: 6
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -154.158949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.158949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.158949 (E_RNA)
where:
Base-Base interactions energy: -95.040
where: short stacking energy: -49.880
Base-Backbone interact. energy: -0.143
local terms energy: -58.976127
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -5.396
tors. eta vs tors. theta energy: -10.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -91.837654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.837654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.837654 (E_RNA)
where:
Base-Base interactions energy: -31.696
where: short stacking energy: -28.689
Base-Backbone interact. energy: -0.251
local terms energy: -59.890242
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -7.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -90.111905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.111905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.111905 (E_RNA)
where:
Base-Base interactions energy: -37.832
where: short stacking energy: -36.435
Base-Backbone interact. energy: 1.058
local terms energy: -53.337051
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: -2.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -86.525561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.525561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.525561 (E_RNA)
where:
Base-Base interactions energy: -34.055
where: short stacking energy: -34.055
Base-Backbone interact. energy: -0.279
local terms energy: -52.191384
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -8.427
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -7.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -74.304763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.304763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.304763 (E_RNA)
where:
Base-Base interactions energy: -21.375
where: short stacking energy: -17.585
Base-Backbone interact. energy: -0.218
local terms energy: -52.711589
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -5.508
tors. eta vs tors. theta energy: -3.551
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: 4
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -193.959689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.959689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.959689 (E_RNA)
where:
Base-Base interactions energy: -114.437
where: short stacking energy: -68.651
Base-Backbone interact. energy: -0.034
local terms energy: -79.488390
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -19.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -213.488205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.488205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.488205 (E_RNA)
where:
Base-Base interactions energy: -133.290
where: short stacking energy: -62.843
Base-Backbone interact. energy: -0.117
local terms energy: -80.081301
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -18.544
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -21.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -157.482293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.482293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.482293 (E_RNA)
where:
Base-Base interactions energy: -85.947
where: short stacking energy: -57.177
Base-Backbone interact. energy: -0.047
local terms energy: -71.487407
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -14.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -176.218879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.218879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.218879 (E_RNA)
where:
Base-Base interactions energy: -105.335
where: short stacking energy: -54.825
Base-Backbone interact. energy: -0.067
local terms energy: -70.816743
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -11.298
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: 9
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -141.738916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.738916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.738916 (E_RNA)
where:
Base-Base interactions energy: -78.698
where: short stacking energy: -42.634
Base-Backbone interact. energy: -0.127
local terms energy: -62.913902
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -10.721
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -8.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -168.468893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.468893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.468893 (E_RNA)
where:
Base-Base interactions energy: -97.556
where: short stacking energy: -51.755
Base-Backbone interact. energy: -0.005
local terms energy: -70.907612
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -13.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -96.592922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.592922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.592922 (E_RNA)
where:
Base-Base interactions energy: -47.799
where: short stacking energy: -31.477
Base-Backbone interact. energy: -0.317
local terms energy: -48.476178
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -8.704
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -10.297
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: 8, replica: 1
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -89.719964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.719964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.719964 (E_RNA)
where:
Base-Base interactions energy: -32.707
where: short stacking energy: -32.479
Base-Backbone interact. energy: -0.058
local terms energy: -56.955498
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -4.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -77.370902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.370902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.370902 (E_RNA)
where:
Base-Base interactions energy: -30.484
where: short stacking energy: -28.459
Base-Backbone interact. energy: -0.157
local terms energy: -46.729482
where:
bonds (distance) C4'-P energy: -7.481
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -8.789
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: 10, replica: 3
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -82.354735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.354735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.354735 (E_RNA)
where:
Base-Base interactions energy: -26.359
where: short stacking energy: -26.359
Base-Backbone interact. energy: -0.055
local terms energy: -55.940830
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -5.272
tors. eta vs tors. theta energy: -6.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -197.089265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.089265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.089265 (E_RNA)
where:
Base-Base interactions energy: -120.037
where: short stacking energy: -63.308
Base-Backbone interact. energy: -0.067
local terms energy: -76.984952
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: -17.377
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: 2, replica: 5
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -183.908308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.908308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.908308 (E_RNA)
where:
Base-Base interactions energy: -112.563
where: short stacking energy: -60.313
Base-Backbone interact. energy: -1.316
local terms energy: -70.028389
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -12.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -192.626117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.626117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.626117 (E_RNA)
where:
Base-Base interactions energy: -112.975
where: short stacking energy: -59.565
Base-Backbone interact. energy: -0.098
local terms energy: -79.553079
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -18.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -191.937058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.937058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.937058 (E_RNA)
where:
Base-Base interactions energy: -121.260
where: short stacking energy: -58.261
Base-Backbone interact. energy: -0.103
local terms energy: -70.574235
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -19.083
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: 9
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -142.809325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.809325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.809325 (E_RNA)
where:
Base-Base interactions energy: -85.267
where: short stacking energy: -42.966
Base-Backbone interact. energy: -0.109
local terms energy: -57.433296
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -10.856
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -7.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -158.137285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.137285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.137285 (E_RNA)
where:
Base-Base interactions energy: -96.622
where: short stacking energy: -52.723
Base-Backbone interact. energy: -0.001
local terms energy: -61.514316
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -8.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -94.108658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.108658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.108658 (E_RNA)
where:
Base-Base interactions energy: -37.871
where: short stacking energy: -30.754
Base-Backbone interact. energy: -0.681
local terms energy: -55.557096
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -2.611
tors. eta vs tors. theta energy: -10.900
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: 7
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -77.342337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.342337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.342337 (E_RNA)
where:
Base-Base interactions energy: -23.866
where: short stacking energy: -23.635
Base-Backbone interact. energy: -0.114
local terms energy: -53.361599
where:
bonds (distance) C4'-P energy: -9.930
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -2.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -85.376457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.376457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.376457 (E_RNA)
where:
Base-Base interactions energy: -31.140
where: short stacking energy: -30.988
Base-Backbone interact. energy: -0.096
local terms energy: -54.140468
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -5.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -82.604037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.604037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.604037 (E_RNA)
where:
Base-Base interactions energy: -28.884
where: short stacking energy: -23.751
Base-Backbone interact. energy: 0.587
local terms energy: -54.307109
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: 0.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -192.370631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.370631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.370631 (E_RNA)
where:
Base-Base interactions energy: -121.696
where: short stacking energy: -64.903
Base-Backbone interact. energy: -0.024
local terms energy: -70.650283
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -13.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -184.742545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.742545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.742545 (E_RNA)
where:
Base-Base interactions energy: -119.144
where: short stacking energy: -65.956
Base-Backbone interact. energy: -0.082
local terms energy: -65.515787
where:
bonds (distance) C4'-P energy: -9.677
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -11.556
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -18.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -194.017159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.017159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.017159 (E_RNA)
where:
Base-Base interactions energy: -128.563
where: short stacking energy: -72.222
Base-Backbone interact. energy: -0.265
local terms energy: -65.189612
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -17.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -194.153112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.153112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.153112 (E_RNA)
where:
Base-Base interactions energy: -117.934
where: short stacking energy: -61.518
Base-Backbone interact. energy: -0.006
local terms energy: -76.212696
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -18.894
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: 9
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -150.690734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.690734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.690734 (E_RNA)
where:
Base-Base interactions energy: -90.575
where: short stacking energy: -46.227
Base-Backbone interact. energy: -0.051
local terms energy: -60.064532
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -10.011
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: 6, replica: 6
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -157.971333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.971333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.971333 (E_RNA)
where:
Base-Base interactions energy: -87.655
where: short stacking energy: -45.938
Base-Backbone interact. energy: -0.284
local terms energy: -70.032027
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -9.808
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: 7, replica: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -94.935963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.935963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.935963 (E_RNA)
where:
Base-Base interactions energy: -43.122
where: short stacking energy: -22.738
Base-Backbone interact. energy: -0.186
local terms energy: -51.628042
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -9.726
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: -10.068
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: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -84.562279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.562279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.562279 (E_RNA)
where:
Base-Base interactions energy: -33.026
where: short stacking energy: -28.427
Base-Backbone interact. energy: -0.126
local terms energy: -51.410537
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -6.751
tors. eta vs tors. theta energy: -4.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -87.385475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.385475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.385475 (E_RNA)
where:
Base-Base interactions energy: -33.346
where: short stacking energy: -33.346
Base-Backbone interact. energy: -0.056
local terms energy: -53.983573
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -4.923
tors. eta vs tors. theta energy: -5.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -72.906321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.906321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.906321 (E_RNA)
where:
Base-Base interactions energy: -20.462
where: short stacking energy: -18.902
Base-Backbone interact. energy: -0.776
local terms energy: -51.668486
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -3.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -192.017898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.017898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.017898 (E_RNA)
where:
Base-Base interactions energy: -115.770
where: short stacking energy: -63.633
Base-Backbone interact. energy: 0.133
local terms energy: -76.381208
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -17.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -206.515707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.515707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.515707 (E_RNA)
where:
Base-Base interactions energy: -132.135
where: short stacking energy: -71.913
Base-Backbone interact. energy: -0.155
local terms energy: -74.226008
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -13.031
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -20.655
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: 4
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -188.265864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.265864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.265864 (E_RNA)
where:
Base-Base interactions energy: -117.899
where: short stacking energy: -59.153
Base-Backbone interact. energy: -0.318
local terms energy: -70.048998
where:
bonds (distance) C4'-P energy: -12.403
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -15.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -178.713554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.713554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.713554 (E_RNA)
where:
Base-Base interactions energy: -109.360
where: short stacking energy: -55.546
Base-Backbone interact. energy: -0.407
local terms energy: -68.945984
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -16.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -150.888709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.888709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.888709 (E_RNA)
where:
Base-Base interactions energy: -93.040
where: short stacking energy: -35.587
Base-Backbone interact. energy: -0.673
local terms energy: -57.176180
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: -5.797
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: 177
Temperature: 1.150000
Total energy: -155.346467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.346467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.346467 (E_RNA)
where:
Base-Base interactions energy: -96.658
where: short stacking energy: -47.016
Base-Backbone interact. energy: -0.097
local terms energy: -58.591262
where:
bonds (distance) C4'-P energy: -10.123
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -9.479
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: 7, replica: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -97.210804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.210804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.210804 (E_RNA)
where:
Base-Base interactions energy: -43.867
where: short stacking energy: -25.781
Base-Backbone interact. energy: -0.126
local terms energy: -53.217814
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: 1.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -94.365774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.365774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.365774 (E_RNA)
where:
Base-Base interactions energy: -36.014
where: short stacking energy: -36.014
Base-Backbone interact. energy: -0.003
local terms energy: -58.347947
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -4.746
tors. eta vs tors. theta energy: -12.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -83.200205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.200205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.200205 (E_RNA)
where:
Base-Base interactions energy: -26.570
where: short stacking energy: -25.689
Base-Backbone interact. energy: -0.461
local terms energy: -56.168873
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -3.453
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: 1
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -74.935535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.935535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.935535 (E_RNA)
where:
Base-Base interactions energy: -28.934
where: short stacking energy: -23.562
Base-Backbone interact. energy: -0.027
local terms energy: -45.974394
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -1.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -212.995824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.995824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.995824 (E_RNA)
where:
Base-Base interactions energy: -137.126
where: short stacking energy: -66.029
Base-Backbone interact. energy: -0.137
local terms energy: -75.732211
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -18.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -194.262294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.262294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.262294 (E_RNA)
where:
Base-Base interactions energy: -119.546
where: short stacking energy: -63.067
Base-Backbone interact. energy: -0.722
local terms energy: -73.994501
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -17.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -202.996572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.996572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.996572 (E_RNA)
where:
Base-Base interactions energy: -127.485
where: short stacking energy: -70.667
Base-Backbone interact. energy: -0.005
local terms energy: -75.506559
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -11.102
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: 4, replica: 4
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -164.872580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.872580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.872580 (E_RNA)
where:
Base-Base interactions energy: -99.796
where: short stacking energy: -51.651
Base-Backbone interact. energy: -0.017
local terms energy: -65.058785
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -10.651
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: 5, replica: 6
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -160.258407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.258407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.258407 (E_RNA)
where:
Base-Base interactions energy: -93.944
where: short stacking energy: -47.729
Base-Backbone interact. energy: -0.403
local terms energy: -65.911032
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -11.131
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: 9
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -152.895756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.895756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.895756 (E_RNA)
where:
Base-Base interactions energy: -87.371
where: short stacking energy: -48.373
Base-Backbone interact. energy: -0.096
local terms energy: -65.427870
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -14.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -86.281041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.281041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.281041 (E_RNA)
where:
Base-Base interactions energy: -28.263
where: short stacking energy: -27.798
Base-Backbone interact. energy: 0.686
local terms energy: -58.704343
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -4.190
tors. eta vs tors. theta energy: -7.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -86.474603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.474603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.474603 (E_RNA)
where:
Base-Base interactions energy: -36.346
where: short stacking energy: -24.499
Base-Backbone interact. energy: -0.090
local terms energy: -50.038736
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -9.000
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -1.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -78.559257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.559257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.559257 (E_RNA)
where:
Base-Base interactions energy: -25.801
where: short stacking energy: -24.449
Base-Backbone interact. energy: 0.051
local terms energy: -52.809390
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: 1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -99.729232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.729232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.729232 (E_RNA)
where:
Base-Base interactions energy: -46.744
where: short stacking energy: -41.978
Base-Backbone interact. energy: -0.468
local terms energy: -52.517351
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -8.485
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -4.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -201.563254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.563254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.563254 (E_RNA)
where:
Base-Base interactions energy: -121.995
where: short stacking energy: -67.800
Base-Backbone interact. energy: -0.939
local terms energy: -78.629476
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -18.301
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -19.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -187.931971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.931971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.931971 (E_RNA)
where:
Base-Base interactions energy: -120.424
where: short stacking energy: -61.641
Base-Backbone interact. energy: -0.730
local terms energy: -66.778086
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -3.659
tors. eta vs tors. theta energy: -18.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -202.094950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.094950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.094950 (E_RNA)
where:
Base-Base interactions energy: -130.025
where: short stacking energy: -62.052
Base-Backbone interact. energy: -0.612
local terms energy: -71.458126
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -17.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -153.525485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.525485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.525485 (E_RNA)
where:
Base-Base interactions energy: -90.407
where: short stacking energy: -35.518
Base-Backbone interact. energy: -0.677
local terms energy: -62.441868
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -8.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -160.236695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.236695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.236695 (E_RNA)
where:
Base-Base interactions energy: -95.981
where: short stacking energy: -53.371
Base-Backbone interact. energy: -0.047
local terms energy: -64.208441
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -15.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -148.912866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.912866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.912866 (E_RNA)
where:
Base-Base interactions energy: -88.252
where: short stacking energy: -45.033
Base-Backbone interact. energy: -0.706
local terms energy: -59.955039
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -8.546
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: 7
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -92.144088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.144088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.144088 (E_RNA)
where:
Base-Base interactions energy: -30.966
where: short stacking energy: -30.966
Base-Backbone interact. energy: -0.251
local terms energy: -60.927139
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -5.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -112.740050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.740050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.740050 (E_RNA)
where:
Base-Base interactions energy: -54.472
where: short stacking energy: -38.262
Base-Backbone interact. energy: -0.081
local terms energy: -58.186443
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -7.199
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: 179
Temperature: 1.300000
Total energy: -80.326254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.326254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.326254 (E_RNA)
where:
Base-Base interactions energy: -27.829
where: short stacking energy: -16.956
Base-Backbone interact. energy: -0.310
local terms energy: -52.187683
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -0.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -76.803973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.803973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.803973 (E_RNA)
where:
Base-Base interactions energy: -31.609
where: short stacking energy: -31.609
Base-Backbone interact. energy: -0.230
local terms energy: -44.965140
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -11.009
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -2.343
tors. eta vs tors. theta energy: -5.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -199.684535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.684535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.684535 (E_RNA)
where:
Base-Base interactions energy: -124.869
where: short stacking energy: -68.356
Base-Backbone interact. energy: -0.009
local terms energy: -74.806830
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -19.167
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: 2, replica: 5
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -194.735174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.735174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.735174 (E_RNA)
where:
Base-Base interactions energy: -117.116
where: short stacking energy: -63.636
Base-Backbone interact. energy: -0.001
local terms energy: -77.618514
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -20.956
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: 6
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -169.783934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.783934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.783934 (E_RNA)
where:
Base-Base interactions energy: -107.287
where: short stacking energy: -50.509
Base-Backbone interact. energy: -0.084
local terms energy: -62.413328
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -14.774
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: 8
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -188.377522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.377522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.377522 (E_RNA)
where:
Base-Base interactions energy: -117.516
where: short stacking energy: -67.748
Base-Backbone interact. energy: -0.159
local terms energy: -70.702312
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -14.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -164.102232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.102232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.102232 (E_RNA)
where:
Base-Base interactions energy: -92.528
where: short stacking energy: -60.462
Base-Backbone interact. energy: -0.001
local terms energy: -71.572257
where:
bonds (distance) C4'-P energy: -9.538
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -16.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -126.122589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.122589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.122589 (E_RNA)
where:
Base-Base interactions energy: -67.602
where: short stacking energy: -39.916
Base-Backbone interact. energy: 0.883
local terms energy: -59.404014
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -6.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -124.502836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.502836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.502836 (E_RNA)
where:
Base-Base interactions energy: -70.302
where: short stacking energy: -45.226
Base-Backbone interact. energy: -0.076
local terms energy: -54.124973
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -6.753
tors. eta vs tors. theta energy: -6.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -86.898834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.898834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.898834 (E_RNA)
where:
Base-Base interactions energy: -36.908
where: short stacking energy: -36.908
Base-Backbone interact. energy: -0.057
local terms energy: -49.934344
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -9.599
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -6.967
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: 180
Temperature: 1.300000
Total energy: -121.290998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.290998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.290998 (E_RNA)
where:
Base-Base interactions energy: -73.072
where: short stacking energy: -38.792
Base-Backbone interact. energy: -0.021
local terms energy: -48.197630
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -3.063
tors. eta vs tors. theta energy: -9.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -90.161659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.161659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.161659 (E_RNA)
where:
Base-Base interactions energy: -33.644
where: short stacking energy: -23.101
Base-Backbone interact. energy: 1.613
local terms energy: -58.130872
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -3.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -204.184175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.184175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.184175 (E_RNA)
where:
Base-Base interactions energy: -133.713
where: short stacking energy: -73.432
Base-Backbone interact. energy: -0.196
local terms energy: -70.275370
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -19.012
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: 5
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -190.513548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.513548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.513548 (E_RNA)
where:
Base-Base interactions energy: -119.000
where: short stacking energy: -68.762
Base-Backbone interact. energy: -0.094
local terms energy: -71.419487
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -9.293
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: 3, replica: 6
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -169.147634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.147634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.147634 (E_RNA)
where:
Base-Base interactions energy: -102.926
where: short stacking energy: -55.158
Base-Backbone interact. energy: -0.105
local terms energy: -66.116497
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -10.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -164.913895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.913895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.913895 (E_RNA)
where:
Base-Base interactions energy: -109.810
where: short stacking energy: -49.893
Base-Backbone interact. energy: -0.151
local terms energy: -54.953141
where:
bonds (distance) C4'-P energy: -9.666
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -10.883
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -11.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -153.697951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.697951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.697951 (E_RNA)
where:
Base-Base interactions energy: -85.086
where: short stacking energy: -40.674
Base-Backbone interact. energy: -0.066
local terms energy: -68.546166
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -10.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -108.172819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.172819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.172819 (E_RNA)
where:
Base-Base interactions energy: -52.652
where: short stacking energy: -24.929
Base-Backbone interact. energy: -0.547
local terms energy: -54.973895
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -2.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -84.158144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.158144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.158144 (E_RNA)
where:
Base-Base interactions energy: -35.270
where: short stacking energy: -31.126
Base-Backbone interact. energy: -1.237
local terms energy: -47.651983
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -9.553
flat angles P-C4'-P energy: -5.974
tors. eta vs tors. theta energy: -3.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -81.902402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.902402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.902402 (E_RNA)
where:
Base-Base interactions energy: -31.374
where: short stacking energy: -31.173
Base-Backbone interact. energy: -0.085
local terms energy: -50.442676
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -5.223
tors. eta vs tors. theta energy: -1.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -79.496896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.496896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.496896 (E_RNA)
where:
Base-Base interactions energy: -29.939
where: short stacking energy: -29.939
Base-Backbone interact. energy: -0.012
local terms energy: -49.546380
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -3.322
tors. eta vs tors. theta energy: -4.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -76.687732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.687732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.687732 (E_RNA)
where:
Base-Base interactions energy: -26.280
where: short stacking energy: -25.236
Base-Backbone interact. energy: -0.362
local terms energy: -50.045849
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -2.522
tors. eta vs tors. theta energy: -5.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -196.243674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.243674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.243674 (E_RNA)
where:
Base-Base interactions energy: -121.457
where: short stacking energy: -56.354
Base-Backbone interact. energy: -0.607
local terms energy: -74.180122
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -18.377
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: 2, replica: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -199.324847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.324847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.324847 (E_RNA)
where:
Base-Base interactions energy: -123.971
where: short stacking energy: -75.092
Base-Backbone interact. energy: -0.000
local terms energy: -75.353907
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -22.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -172.208286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.208286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.208286 (E_RNA)
where:
Base-Base interactions energy: -100.229
where: short stacking energy: -52.205
Base-Backbone interact. energy: -0.980
local terms energy: -70.999484
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -15.734
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: 4
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -180.454959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.454959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.454959 (E_RNA)
where:
Base-Base interactions energy: -109.136
where: short stacking energy: -69.028
Base-Backbone interact. energy: -0.018
local terms energy: -71.301188
where:
bonds (distance) C4'-P energy: -9.035
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -18.577
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: 5, replica: 8
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -136.232657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.232657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.232657 (E_RNA)
where:
Base-Base interactions energy: -82.916
where: short stacking energy: -37.969
Base-Backbone interact. energy: -0.365
local terms energy: -52.952539
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -17.482
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -4.306
tors. eta vs tors. theta energy: -5.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -96.856600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.856600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.856600 (E_RNA)
where:
Base-Base interactions energy: -34.973
where: short stacking energy: -33.002
Base-Backbone interact. energy: -0.271
local terms energy: -61.612727
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -6.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -106.084642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.084642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.084642 (E_RNA)
where:
Base-Base interactions energy: -48.729
where: short stacking energy: -39.072
Base-Backbone interact. energy: -0.111
local terms energy: -57.245129
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -6.187
tors. eta vs tors. theta energy: -6.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -103.444668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.444668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.444668 (E_RNA)
where:
Base-Base interactions energy: -54.536
where: short stacking energy: -43.543
Base-Backbone interact. energy: -0.149
local terms energy: -48.759525
where:
bonds (distance) C4'-P energy: -7.329
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -6.141
tors. eta vs tors. theta energy: -9.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -71.995391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.995391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.995391 (E_RNA)
where:
Base-Base interactions energy: -22.783
where: short stacking energy: -15.040
Base-Backbone interact. energy: -0.246
local terms energy: -48.966726
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: 0.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -77.818815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.818815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.818815 (E_RNA)
where:
Base-Base interactions energy: -28.345
where: short stacking energy: -28.273
Base-Backbone interact. energy: 0.136
local terms energy: -49.610718
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -2.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -199.052964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.052964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.052964 (E_RNA)
where:
Base-Base interactions energy: -124.330
where: short stacking energy: -66.169
Base-Backbone interact. energy: -0.063
local terms energy: -74.659389
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -18.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -200.488323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.488323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.488323 (E_RNA)
where:
Base-Base interactions energy: -127.624
where: short stacking energy: -72.540
Base-Backbone interact. energy: -0.105
local terms energy: -72.759284
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -18.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -157.775031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.775031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.775031 (E_RNA)
where:
Base-Base interactions energy: -94.680
where: short stacking energy: -39.808
Base-Backbone interact. energy: -0.112
local terms energy: -62.983156
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -9.790
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: 4
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -161.250333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.250333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.250333 (E_RNA)
where:
Base-Base interactions energy: -94.010
where: short stacking energy: -48.527
Base-Backbone interact. energy: -0.124
local terms energy: -67.115725
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -9.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -156.487049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.487049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.487049 (E_RNA)
where:
Base-Base interactions energy: -92.725
where: short stacking energy: -50.307
Base-Backbone interact. energy: 0.057
local terms energy: -63.819319
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -12.269
flat angles C4'-P-C4' energy: -10.749
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -14.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -97.318967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.318967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.318967 (E_RNA)
where:
Base-Base interactions energy: -36.528
where: short stacking energy: -32.166
Base-Backbone interact. energy: -0.094
local terms energy: -60.697667
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -6.888
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: 7, replica: 1
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -85.351723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.351723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.351723 (E_RNA)
where:
Base-Base interactions energy: -24.757
where: short stacking energy: -24.757
Base-Backbone interact. energy: -0.479
local terms energy: -60.115130
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -1.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -108.703299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.703299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.703299 (E_RNA)
where:
Base-Base interactions energy: -51.414
where: short stacking energy: -28.685
Base-Backbone interact. energy: -0.123
local terms energy: -57.166190
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -9.941
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: 9, replica: 9
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -95.705131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.705131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.705131 (E_RNA)
where:
Base-Base interactions energy: -37.588
where: short stacking energy: -37.588
Base-Backbone interact. energy: -0.378
local terms energy: -57.738660
where:
bonds (distance) C4'-P energy: -9.932
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -12.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -68.734374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.734374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.734374 (E_RNA)
where:
Base-Base interactions energy: -26.391
where: short stacking energy: -21.637
Base-Backbone interact. energy: 1.674
local terms energy: -44.017403
where:
bonds (distance) C4'-P energy: -8.059
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: 2.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -199.056156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.056156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.056156 (E_RNA)
where:
Base-Base interactions energy: -134.785
where: short stacking energy: -50.736
Base-Backbone interact. energy: -0.309
local terms energy: -63.961387
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -9.844
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: 2, replica: 5
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -204.220921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.220921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.220921 (E_RNA)
where:
Base-Base interactions energy: -124.867
where: short stacking energy: -66.734
Base-Backbone interact. energy: -2.641
local terms energy: -76.713553
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -18.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -171.432750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.432750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.432750 (E_RNA)
where:
Base-Base interactions energy: -103.363
where: short stacking energy: -61.574
Base-Backbone interact. energy: -0.120
local terms energy: -67.950421
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -12.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -144.596893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.596893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.596893 (E_RNA)
where:
Base-Base interactions energy: -88.507
where: short stacking energy: -40.864
Base-Backbone interact. energy: -0.518
local terms energy: -55.572586
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -6.309
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: 8
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -181.709975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.709975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.709975 (E_RNA)
where:
Base-Base interactions energy: -118.271
where: short stacking energy: -61.072
Base-Backbone interact. energy: -0.102
local terms energy: -63.337240
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -16.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -97.662300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.662300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.662300 (E_RNA)
where:
Base-Base interactions energy: -39.695
where: short stacking energy: -37.745
Base-Backbone interact. energy: -0.119
local terms energy: -57.848584
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -10.101
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: 7, replica: 1
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -113.839855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.839855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.839855 (E_RNA)
where:
Base-Base interactions energy: -59.304
where: short stacking energy: -30.950
Base-Backbone interact. energy: -0.272
local terms energy: -54.264353
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -3.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -83.059596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.059596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.059596 (E_RNA)
where:
Base-Base interactions energy: -26.724
where: short stacking energy: -26.347
Base-Backbone interact. energy: -0.070
local terms energy: -56.265971
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -9.850
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -7.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -88.508600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.508600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.508600 (E_RNA)
where:
Base-Base interactions energy: -35.156
where: short stacking energy: -26.516
Base-Backbone interact. energy: 0.304
local terms energy: -53.656029
where:
bonds (distance) C4'-P energy: -9.536
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -10.301
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -4.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -80.972682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.972682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.972682 (E_RNA)
where:
Base-Base interactions energy: -35.824
where: short stacking energy: -20.408
Base-Backbone interact. energy: -0.137
local terms energy: -45.010993
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -9.173
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: 1.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -200.880561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.880561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.880561 (E_RNA)
where:
Base-Base interactions energy: -131.478
where: short stacking energy: -59.256
Base-Backbone interact. energy: -0.156
local terms energy: -69.246275
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -14.433
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: 5
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -194.160112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.160112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.160112 (E_RNA)
where:
Base-Base interactions energy: -115.096
where: short stacking energy: -64.015
Base-Backbone interact. energy: -0.093
local terms energy: -78.970288
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -21.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -179.409900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.409900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.409900 (E_RNA)
where:
Base-Base interactions energy: -109.478
where: short stacking energy: -54.080
Base-Backbone interact. energy: -0.006
local terms energy: -69.926079
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -15.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -188.428158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.428158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.428158 (E_RNA)
where:
Base-Base interactions energy: -116.931
where: short stacking energy: -54.908
Base-Backbone interact. energy: -1.651
local terms energy: -69.846339
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -13.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -135.035501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.035501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.035501 (E_RNA)
where:
Base-Base interactions energy: -74.497
where: short stacking energy: -39.094
Base-Backbone interact. energy: -0.507
local terms energy: -60.031600
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -8.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -118.870845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.870845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.870845 (E_RNA)
where:
Base-Base interactions energy: -59.482
where: short stacking energy: -34.404
Base-Backbone interact. energy: -0.011
local terms energy: -59.377429
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -5.528
tors. eta vs tors. theta energy: -9.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -100.997835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.997835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.997835 (E_RNA)
where:
Base-Base interactions energy: -58.729
where: short stacking energy: -43.097
Base-Backbone interact. energy: 0.401
local terms energy: -42.669769
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -2.285
tors. eta vs tors. theta energy: -3.729
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: 185
Temperature: 1.250000
Total energy: -82.723558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.723558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.723558 (E_RNA)
where:
Base-Base interactions energy: -29.791
where: short stacking energy: -26.863
Base-Backbone interact. energy: -0.171
local terms energy: -52.762292
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -3.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -71.510727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.510727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.510727 (E_RNA)
where:
Base-Base interactions energy: -28.901
where: short stacking energy: -17.190
Base-Backbone interact. energy: -0.881
local terms energy: -41.728556
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -9.745
flat angles P-C4'-P energy: -4.559
tors. eta vs tors. theta energy: 0.998
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: 10, replica: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -74.601563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.601563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.601563 (E_RNA)
where:
Base-Base interactions energy: -27.438
where: short stacking energy: -27.438
Base-Backbone interact. energy: 4.469
local terms energy: -51.632139
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -11.440
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: -1.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -189.029442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.029442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.029442 (E_RNA)
where:
Base-Base interactions energy: -115.231
where: short stacking energy: -64.601
Base-Backbone interact. energy: -0.147
local terms energy: -73.651812
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -18.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -209.860863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.860863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.860863 (E_RNA)
where:
Base-Base interactions energy: -134.492
where: short stacking energy: -59.089
Base-Backbone interact. energy: -0.636
local terms energy: -74.733538
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -16.615
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: 3, replica: 6
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -184.866744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.866744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.866744 (E_RNA)
where:
Base-Base interactions energy: -114.042
where: short stacking energy: -58.521
Base-Backbone interact. energy: -0.152
local terms energy: -70.672693
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -13.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -182.053843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.053843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.053843 (E_RNA)
where:
Base-Base interactions energy: -114.727
where: short stacking energy: -62.492
Base-Backbone interact. energy: -0.026
local terms energy: -67.300304
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -4.659
tors. eta vs tors. theta energy: -18.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -128.640465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.640465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.640465 (E_RNA)
where:
Base-Base interactions energy: -76.793
where: short stacking energy: -41.955
Base-Backbone interact. energy: -0.897
local terms energy: -50.950276
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -4.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -102.260081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.260081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.260081 (E_RNA)
where:
Base-Base interactions energy: -40.135
where: short stacking energy: -36.618
Base-Backbone interact. energy: -0.005
local terms energy: -62.119887
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -9.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -88.993544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.993544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.993544 (E_RNA)
where:
Base-Base interactions energy: -35.812
where: short stacking energy: -35.756
Base-Backbone interact. energy: -0.290
local terms energy: -52.891644
where:
bonds (distance) C4'-P energy: -9.636
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -5.687
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: 8, replica: 10
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -85.587923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.587923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.587923 (E_RNA)
where:
Base-Base interactions energy: -31.582
where: short stacking energy: -32.382
Base-Backbone interact. energy: -0.058
local terms energy: -53.948352
where:
bonds (distance) C4'-P energy: -8.604
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -6.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -76.202316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.202316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.202316 (E_RNA)
where:
Base-Base interactions energy: -26.710
where: short stacking energy: -26.710
Base-Backbone interact. energy: -0.098
local terms energy: -49.393822
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -2.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -69.150290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.150290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.150290 (E_RNA)
where:
Base-Base interactions energy: -24.540
where: short stacking energy: -16.405
Base-Backbone interact. energy: 0.048
local terms energy: -44.658544
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -6.497
tors. eta vs tors. theta energy: 3.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -200.167137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.167137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.167137 (E_RNA)
where:
Base-Base interactions energy: -120.517
where: short stacking energy: -68.659
Base-Backbone interact. energy: -0.609
local terms energy: -79.040813
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -16.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -185.677839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.677839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.677839 (E_RNA)
where:
Base-Base interactions energy: -106.268
where: short stacking energy: -62.971
Base-Backbone interact. energy: -0.011
local terms energy: -79.398944
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -19.071
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: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -190.378910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.378910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.378910 (E_RNA)
where:
Base-Base interactions energy: -119.461
where: short stacking energy: -63.378
Base-Backbone interact. energy: -0.110
local terms energy: -70.807552
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -20.912
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: 4, replica: 4
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -143.051239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.051239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.051239 (E_RNA)
where:
Base-Base interactions energy: -85.226
where: short stacking energy: -40.445
Base-Backbone interact. energy: -0.243
local terms energy: -57.582826
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -6.388
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: 8
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -157.228423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.228423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.228423 (E_RNA)
where:
Base-Base interactions energy: -93.835
where: short stacking energy: -50.588
Base-Backbone interact. energy: -0.025
local terms energy: -63.368498
where:
bonds (distance) C4'-P energy: -10.110
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -12.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -100.538602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.538602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.538602 (E_RNA)
where:
Base-Base interactions energy: -40.898
where: short stacking energy: -37.571
Base-Backbone interact. energy: -0.050
local terms energy: -59.590315
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -7.465
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: 7, replica: 1
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -133.801346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.801346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.801346 (E_RNA)
where:
Base-Base interactions energy: -74.424
where: short stacking energy: -48.417
Base-Backbone interact. energy: -0.533
local terms energy: -58.845024
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: -10.422
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: 8, replica: 9
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -78.320398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.320398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.320398 (E_RNA)
where:
Base-Base interactions energy: -31.824
where: short stacking energy: -21.859
Base-Backbone interact. energy: 1.603
local terms energy: -48.100113
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -7.921
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -0.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -78.818391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.818391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.818391 (E_RNA)
where:
Base-Base interactions energy: -29.926
where: short stacking energy: -23.113
Base-Backbone interact. energy: 0.813
local terms energy: -49.705344
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -11.625
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -5.556
tors. eta vs tors. theta energy: 0.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -73.705846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.705846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.705846 (E_RNA)
where:
Base-Base interactions energy: -29.082
where: short stacking energy: -8.412
Base-Backbone interact. energy: -0.039
local terms energy: -44.585102
where:
bonds (distance) C4'-P energy: -9.007
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -10.567
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: 5
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -194.210977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.210977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.210977 (E_RNA)
where:
Base-Base interactions energy: -117.809
where: short stacking energy: -61.247
Base-Backbone interact. energy: 0.099
local terms energy: -76.500808
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -18.366
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -6.753
tors. eta vs tors. theta energy: -16.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -182.747737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.747737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.747737 (E_RNA)
where:
Base-Base interactions energy: -108.772
where: short stacking energy: -52.956
Base-Backbone interact. energy: -0.040
local terms energy: -73.935811
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -14.846
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: 188
Temperature: 1.000000
Total energy: -184.268535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.268535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.268535 (E_RNA)
where:
Base-Base interactions energy: -113.316
where: short stacking energy: -53.548
Base-Backbone interact. energy: -0.009
local terms energy: -70.944194
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -10.508
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -17.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -151.866864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.866864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.866864 (E_RNA)
where:
Base-Base interactions energy: -91.157
where: short stacking energy: -51.535
Base-Backbone interact. energy: 0.148
local terms energy: -60.858665
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -11.374
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -9.163
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: 5, replica: 8
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -141.159302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.159302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.159302 (E_RNA)
where:
Base-Base interactions energy: -85.730
where: short stacking energy: -46.586
Base-Backbone interact. energy: -0.082
local terms energy: -55.347504
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -11.018
flat angles C4'-P-C4' energy: -9.398
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -9.376
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: 3
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -104.864608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.864608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.864608 (E_RNA)
where:
Base-Base interactions energy: -46.504
where: short stacking energy: -41.473
Base-Backbone interact. energy: -0.092
local terms energy: -58.268780
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -4.007
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: 7, replica: 1
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -134.995397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.995397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.995397 (E_RNA)
where:
Base-Base interactions energy: -74.090
where: short stacking energy: -41.867
Base-Backbone interact. energy: -0.018
local terms energy: -60.887100
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -10.222
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -13.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -86.615741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.615741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.615741 (E_RNA)
where:
Base-Base interactions energy: -37.500
where: short stacking energy: -34.236
Base-Backbone interact. energy: -0.196
local terms energy: -48.919148
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -9.955
flat angles P-C4'-P energy: -7.890
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: 9, replica: 7
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -78.246456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.246456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.246456 (E_RNA)
where:
Base-Base interactions energy: -30.589
where: short stacking energy: -25.786
Base-Backbone interact. energy: -0.043
local terms energy: -47.614195
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -4.002
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: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -81.691957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.691957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.691957 (E_RNA)
where:
Base-Base interactions energy: -34.026
where: short stacking energy: -20.043
Base-Backbone interact. energy: 0.141
local terms energy: -47.807757
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -5.147
tors. eta vs tors. theta energy: 0.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -201.515761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.515761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.515761 (E_RNA)
where:
Base-Base interactions energy: -124.006
where: short stacking energy: -70.010
Base-Backbone interact. energy: -0.287
local terms energy: -77.222699
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -19.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -196.215154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.215154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.215154 (E_RNA)
where:
Base-Base interactions energy: -125.689
where: short stacking energy: -54.349
Base-Backbone interact. energy: -0.633
local terms energy: -69.893954
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -16.429
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: 6
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -184.103851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.103851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.103851 (E_RNA)
where:
Base-Base interactions energy: -113.997
where: short stacking energy: -56.826
Base-Backbone interact. energy: -0.014
local terms energy: -70.093142
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -15.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -141.370808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.370808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.370808 (E_RNA)
where:
Base-Base interactions energy: -85.875
where: short stacking energy: -58.627
Base-Backbone interact. energy: 0.309
local terms energy: -55.804989
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -11.820
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -11.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -171.576923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.576923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.576923 (E_RNA)
where:
Base-Base interactions energy: -111.563
where: short stacking energy: -60.748
Base-Backbone interact. energy: -0.413
local terms energy: -59.601141
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -6.449
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -16.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -93.030705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.030705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.030705 (E_RNA)
where:
Base-Base interactions energy: -46.101
where: short stacking energy: -24.173
Base-Backbone interact. energy: -0.496
local terms energy: -46.433431
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -7.814
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: 2.363
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: 3
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -91.312676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.312676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.312676 (E_RNA)
where:
Base-Base interactions energy: -36.414
where: short stacking energy: -22.191
Base-Backbone interact. energy: -0.088
local terms energy: -54.810380
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -6.816
tors. eta vs tors. theta energy: -4.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -82.132129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.132129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.132129 (E_RNA)
where:
Base-Base interactions energy: -27.402
where: short stacking energy: -24.636
Base-Backbone interact. energy: -0.132
local terms energy: -54.598305
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -2.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -86.690322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.690322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.690322 (E_RNA)
where:
Base-Base interactions energy: -35.961
where: short stacking energy: -35.961
Base-Backbone interact. energy: 0.145
local terms energy: -50.874196
where:
bonds (distance) C4'-P energy: -11.140
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -6.257
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: 10, replica: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -80.059073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.059073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.059073 (E_RNA)
where:
Base-Base interactions energy: -28.471
where: short stacking energy: -28.471
Base-Backbone interact. energy: -0.062
local terms energy: -51.526816
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -8.117
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: 5
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -210.714608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.714608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.714608 (E_RNA)
where:
Base-Base interactions energy: -135.597
where: short stacking energy: -62.167
Base-Backbone interact. energy: -0.441
local terms energy: -74.677342
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: -15.797
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: 2
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -188.372474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.372474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.372474 (E_RNA)
where:
Base-Base interactions energy: -121.897
where: short stacking energy: -66.773
Base-Backbone interact. energy: -0.675
local terms energy: -65.800829
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -7.852
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -16.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -172.636064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.636064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.636064 (E_RNA)
where:
Base-Base interactions energy: -103.783
where: short stacking energy: -59.905
Base-Backbone interact. energy: -0.650
local terms energy: -68.203599
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -12.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -157.102590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.102590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.102590 (E_RNA)
where:
Base-Base interactions energy: -91.100
where: short stacking energy: -51.259
Base-Backbone interact. energy: -0.130
local terms energy: -65.872805
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -10.551
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: 4
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -173.274005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.274005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.274005 (E_RNA)
where:
Base-Base interactions energy: -106.269
where: short stacking energy: -58.178
Base-Backbone interact. energy: -0.010
local terms energy: -66.994406
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -14.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -124.860690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.860690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.860690 (E_RNA)
where:
Base-Base interactions energy: -61.339
where: short stacking energy: -45.086
Base-Backbone interact. energy: -0.673
local terms energy: -62.848361
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -4.633
tors. eta vs tors. theta energy: -14.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -90.018700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.018700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.018700 (E_RNA)
where:
Base-Base interactions energy: -40.627
where: short stacking energy: -36.229
Base-Backbone interact. energy: -0.346
local terms energy: -49.045622
where:
bonds (distance) C4'-P energy: -7.490
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -2.632
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: 8, replica: 3
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -87.032832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.032832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.032832 (E_RNA)
where:
Base-Base interactions energy: -43.995
where: short stacking energy: -26.706
Base-Backbone interact. energy: -0.230
local terms energy: -42.807832
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -9.140
flat angles P-C4'-P energy: -5.052
tors. eta vs tors. theta energy: -0.191
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: 190
Temperature: 1.300000
Total energy: -83.249322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.249322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.249322 (E_RNA)
where:
Base-Base interactions energy: -36.146
where: short stacking energy: -20.645
Base-Backbone interact. energy: -0.061
local terms energy: -47.041552
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -13.854
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -1.830
tors. eta vs tors. theta energy: -2.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -77.932039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.932039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.932039 (E_RNA)
where:
Base-Base interactions energy: -34.124
where: short stacking energy: -26.198
Base-Backbone interact. energy: -0.415
local terms energy: -43.393030
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -8.849
flat angles P-C4'-P energy: -3.094
tors. eta vs tors. theta energy: -1.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -207.596622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.596622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.596622 (E_RNA)
where:
Base-Base interactions energy: -124.276
where: short stacking energy: -72.213
Base-Backbone interact. energy: -2.095
local terms energy: -81.226139
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -23.358
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: 6
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -182.556226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.556226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.556226 (E_RNA)
where:
Base-Base interactions energy: -109.504
where: short stacking energy: -56.716
Base-Backbone interact. energy: -0.690
local terms energy: -72.362466
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -12.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -181.140705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.140705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.140705 (E_RNA)
where:
Base-Base interactions energy: -110.134
where: short stacking energy: -58.264
Base-Backbone interact. energy: -0.637
local terms energy: -70.369396
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -12.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -160.586568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.586568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.586568 (E_RNA)
where:
Base-Base interactions energy: -100.427
where: short stacking energy: -49.115
Base-Backbone interact. energy: -1.714
local terms energy: -58.444953
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -10.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -170.687401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.687401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.687401 (E_RNA)
where:
Base-Base interactions energy: -106.657
where: short stacking energy: -53.875
Base-Backbone interact. energy: 0.668
local terms energy: -64.699048
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -10.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -112.029907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.029907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.029907 (E_RNA)
where:
Base-Base interactions energy: -50.139
where: short stacking energy: -39.326
Base-Backbone interact. energy: -0.001
local terms energy: -61.890233
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -18.346
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -9.905
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: 7
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -91.887515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.887515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.887515 (E_RNA)
where:
Base-Base interactions energy: -36.229
where: short stacking energy: -36.229
Base-Backbone interact. energy: -0.298
local terms energy: -55.359912
where:
bonds (distance) C4'-P energy: -10.174
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -8.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -82.677886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.677886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.677886 (E_RNA)
where:
Base-Base interactions energy: -31.782
where: short stacking energy: -30.045
Base-Backbone interact. energy: -0.150
local terms energy: -50.745184
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -10.353
flat angles P-C4'-P energy: -7.457
tors. eta vs tors. theta energy: -0.674
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: 3
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -79.204999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.204999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.204999 (E_RNA)
where:
Base-Base interactions energy: -34.482
where: short stacking energy: -10.902
Base-Backbone interact. energy: -0.183
local terms energy: -44.540015
where:
bonds (distance) C4'-P energy: -7.971
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: 1.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -85.093632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.093632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.093632 (E_RNA)
where:
Base-Base interactions energy: -24.478
where: short stacking energy: -24.478
Base-Backbone interact. energy: 0.359
local terms energy: -60.974893
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -6.063
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: 6
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -179.967630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.967630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.967630 (E_RNA)
where:
Base-Base interactions energy: -108.850
where: short stacking energy: -62.151
Base-Backbone interact. energy: -0.153
local terms energy: -70.964672
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -4.354
tors. eta vs tors. theta energy: -18.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -193.739657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.739657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.739657 (E_RNA)
where:
Base-Base interactions energy: -123.021
where: short stacking energy: -60.399
Base-Backbone interact. energy: -0.464
local terms energy: -70.254333
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -10.413
flat angles P-C4'-P energy: -13.469
tors. eta vs tors. theta energy: -13.740
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: 4
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -180.025510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.025510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.025510 (E_RNA)
where:
Base-Base interactions energy: -112.604
where: short stacking energy: -58.393
Base-Backbone interact. energy: -0.471
local terms energy: -66.950352
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -13.425
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: 2
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -172.824190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.824190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.824190 (E_RNA)
where:
Base-Base interactions energy: -109.148
where: short stacking energy: -53.935
Base-Backbone interact. energy: -0.295
local terms energy: -63.381164
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -12.016
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -10.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -180.480449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.480449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.480449 (E_RNA)
where:
Base-Base interactions energy: -113.708
where: short stacking energy: -58.162
Base-Backbone interact. energy: -0.361
local terms energy: -66.411697
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -5.844
tors. eta vs tors. theta energy: -18.314
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: 1
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -99.586603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.586603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.586603 (E_RNA)
where:
Base-Base interactions energy: -42.017
where: short stacking energy: -42.017
Base-Backbone interact. energy: -0.114
local terms energy: -57.455776
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -9.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -86.009389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.009389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.009389 (E_RNA)
where:
Base-Base interactions energy: -31.583
where: short stacking energy: -31.583
Base-Backbone interact. energy: -0.087
local terms energy: -54.340030
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -9.784
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -5.809
tors. eta vs tors. theta energy: -5.483
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: 8, replica: 7
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -85.630450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.630450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.630450 (E_RNA)
where:
Base-Base interactions energy: -30.882
where: short stacking energy: -30.882
Base-Backbone interact. energy: -0.022
local terms energy: -54.725891
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -5.643
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: 9, replica: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -85.995390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.995390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.995390 (E_RNA)
where:
Base-Base interactions energy: -41.758
where: short stacking energy: -29.324
Base-Backbone interact. energy: 0.544
local terms energy: -44.780937
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -1.584
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -8.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -71.377847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.377847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.377847 (E_RNA)
where:
Base-Base interactions energy: -36.958
where: short stacking energy: -27.120
Base-Backbone interact. energy: 1.413
local terms energy: -35.832428
where:
bonds (distance) C4'-P energy: -9.204
bonds (distance) P-C4' energy: -13.027
flat angles C4'-P-C4' energy: -5.550
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: 0.260
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: 6
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -188.755488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.755488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.755488 (E_RNA)
where:
Base-Base interactions energy: -121.573
where: short stacking energy: -62.444
Base-Backbone interact. energy: -0.661
local terms energy: -66.521905
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -6.103
tors. eta vs tors. theta energy: -15.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -197.817594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.817594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.817594 (E_RNA)
where:
Base-Base interactions energy: -119.428
where: short stacking energy: -61.153
Base-Backbone interact. energy: -0.317
local terms energy: -78.072148
where:
bonds (distance) C4'-P energy: -16.897
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -17.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -174.313976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.313976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.313976 (E_RNA)
where:
Base-Base interactions energy: -106.749
where: short stacking energy: -54.977
Base-Backbone interact. energy: -1.603
local terms energy: -65.961810
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -10.701
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -16.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -154.441564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.441564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.441564 (E_RNA)
where:
Base-Base interactions energy: -100.650
where: short stacking energy: -49.343
Base-Backbone interact. energy: -0.086
local terms energy: -53.705841
where:
bonds (distance) C4'-P energy: -8.787
bonds (distance) P-C4' energy: -10.418
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -6.023
tors. eta vs tors. theta energy: -13.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -146.206696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.206696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.206696 (E_RNA)
where:
Base-Base interactions energy: -77.759
where: short stacking energy: -45.146
Base-Backbone interact. energy: 0.108
local terms energy: -68.556267
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -13.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -99.631021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.631021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.631021 (E_RNA)
where:
Base-Base interactions energy: -38.709
where: short stacking energy: -37.573
Base-Backbone interact. energy: -0.209
local terms energy: -60.712784
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -18.018
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -8.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -85.600638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.600638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.600638 (E_RNA)
where:
Base-Base interactions energy: -30.314
where: short stacking energy: -16.423
Base-Backbone interact. energy: -0.015
local terms energy: -55.272243
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -11.295
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -4.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -84.568269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.568269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.568269 (E_RNA)
where:
Base-Base interactions energy: -27.012
where: short stacking energy: -25.547
Base-Backbone interact. energy: -0.077
local terms energy: -57.478735
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -10.620
flat angles P-C4'-P energy: -9.992
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: 9
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -113.152169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.152169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.152169 (E_RNA)
where:
Base-Base interactions energy: -63.769
where: short stacking energy: -27.513
Base-Backbone interact. energy: -0.021
local terms energy: -49.362531
where:
bonds (distance) C4'-P energy: -8.285
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -3.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -70.042105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.042105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.042105 (E_RNA)
where:
Base-Base interactions energy: -25.140
where: short stacking energy: -25.140
Base-Backbone interact. energy: -0.534
local terms energy: -44.368034
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: 0.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -192.254128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.254128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.254128 (E_RNA)
where:
Base-Base interactions energy: -116.321
where: short stacking energy: -67.295
Base-Backbone interact. energy: 0.735
local terms energy: -76.667921
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -18.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -178.770024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.770024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.770024 (E_RNA)
where:
Base-Base interactions energy: -110.885
where: short stacking energy: -58.839
Base-Backbone interact. energy: -0.178
local terms energy: -67.706208
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -16.693
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: 5
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -183.447224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.447224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.447224 (E_RNA)
where:
Base-Base interactions energy: -112.268
where: short stacking energy: -57.047
Base-Backbone interact. energy: -0.087
local terms energy: -71.092981
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -10.604
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -18.699
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: 8
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -169.990132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.990132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.990132 (E_RNA)
where:
Base-Base interactions energy: -107.219
where: short stacking energy: -50.749
Base-Backbone interact. energy: 0.272
local terms energy: -63.043589
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -11.340
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -13.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -113.036814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.036814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.036814 (E_RNA)
where:
Base-Base interactions energy: -52.436
where: short stacking energy: -52.436
Base-Backbone interact. energy: -0.031
local terms energy: -60.569841
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -11.073
flat angles C4'-P-C4' energy: -10.274
flat angles P-C4'-P energy: -5.696
tors. eta vs tors. theta energy: -17.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -96.454685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.454685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.454685 (E_RNA)
where:
Base-Base interactions energy: -43.516
where: short stacking energy: -24.796
Base-Backbone interact. energy: -0.150
local terms energy: -52.789013
where:
bonds (distance) C4'-P energy: -9.535
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -3.390
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: 7, replica: 7
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -90.319136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.319136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.319136 (E_RNA)
where:
Base-Base interactions energy: -34.897
where: short stacking energy: -33.609
Base-Backbone interact. energy: 0.061
local terms energy: -55.483090
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -9.021
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: 8, replica: 10
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -75.010053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.010053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.010053 (E_RNA)
where:
Base-Base interactions energy: -29.919
where: short stacking energy: -23.251
Base-Backbone interact. energy: -0.324
local terms energy: -44.766960
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -11.488
flat angles C4'-P-C4' energy: -10.414
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -2.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -137.843993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.843993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.843993 (E_RNA)
where:
Base-Base interactions energy: -78.297
where: short stacking energy: -32.458
Base-Backbone interact. energy: 0.805
local terms energy: -60.351616
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -10.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -81.868572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.868572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.868572 (E_RNA)
where:
Base-Base interactions energy: -33.665
where: short stacking energy: -28.328
Base-Backbone interact. energy: -0.016
local terms energy: -48.187358
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -11.026
flat angles P-C4'-P energy: -10.758
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: 4
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -192.755684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.755684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.755684 (E_RNA)
where:
Base-Base interactions energy: -125.152
where: short stacking energy: -69.344
Base-Backbone interact. energy: -0.228
local terms energy: -67.375911
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -16.168
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: 2, replica: 5
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -188.429900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.429900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.429900 (E_RNA)
where:
Base-Base interactions energy: -120.025
where: short stacking energy: -60.321
Base-Backbone interact. energy: -0.135
local terms energy: -68.269799
where:
bonds (distance) C4'-P energy: -10.901
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: -14.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -183.862361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.862361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.862361 (E_RNA)
where:
Base-Base interactions energy: -111.048
where: short stacking energy: -55.598
Base-Backbone interact. energy: -0.145
local terms energy: -72.668878
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -15.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -111.675516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.675516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.675516 (E_RNA)
where:
Base-Base interactions energy: -51.888
where: short stacking energy: -46.148
Base-Backbone interact. energy: -0.109
local terms energy: -59.678894
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -10.734
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -10.152
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: 8
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -187.608009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.608009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.608009 (E_RNA)
where:
Base-Base interactions energy: -122.471
where: short stacking energy: -66.373
Base-Backbone interact. energy: -0.008
local terms energy: -65.129397
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -13.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -93.024340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.024340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.024340 (E_RNA)
where:
Base-Base interactions energy: -32.167
where: short stacking energy: -27.444
Base-Backbone interact. energy: -0.222
local terms energy: -60.635670
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -6.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -83.534997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.534997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.534997 (E_RNA)
where:
Base-Base interactions energy: -40.574
where: short stacking energy: -40.574
Base-Backbone interact. energy: 1.094
local terms energy: -44.055505
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -8.672
flat angles C4'-P-C4' energy: -10.298
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -4.247
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: 9
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -132.611338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.611338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.611338 (E_RNA)
where:
Base-Base interactions energy: -80.663
where: short stacking energy: -38.929
Base-Backbone interact. energy: 3.847
local terms energy: -55.795487
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -8.291
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -10.233
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: 10
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -91.001110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.001110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.001110 (E_RNA)
where:
Base-Base interactions energy: -33.378
where: short stacking energy: -33.378
Base-Backbone interact. energy: -0.087
local terms energy: -57.535419
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -10.256
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -8.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -69.031958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.031958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.031958 (E_RNA)
where:
Base-Base interactions energy: -21.818
where: short stacking energy: -18.549
Base-Backbone interact. energy: -0.093
local terms energy: -47.120271
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -2.225
tors. eta vs tors. theta energy: -1.054
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: 4
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -195.490717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.490717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.490717 (E_RNA)
where:
Base-Base interactions energy: -120.188
where: short stacking energy: -67.929
Base-Backbone interact. energy: -0.004
local terms energy: -75.297979
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -19.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -186.627391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.627391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.627391 (E_RNA)
where:
Base-Base interactions energy: -115.650
where: short stacking energy: -63.497
Base-Backbone interact. energy: -0.001
local terms energy: -70.976693
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -15.975
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: 6
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -176.824949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.824949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.824949 (E_RNA)
where:
Base-Base interactions energy: -109.585
where: short stacking energy: -62.324
Base-Backbone interact. energy: -0.091
local terms energy: -67.148951
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -14.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -138.404410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.404410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.404410 (E_RNA)
where:
Base-Base interactions energy: -81.760
where: short stacking energy: -55.955
Base-Backbone interact. energy: -0.149
local terms energy: -56.495767
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -11.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -171.598824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.598824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.598824 (E_RNA)
where:
Base-Base interactions energy: -108.168
where: short stacking energy: -59.595
Base-Backbone interact. energy: -0.107
local terms energy: -63.324016
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -14.203
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: 6, replica: 7
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -99.496795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.496795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.496795 (E_RNA)
where:
Base-Base interactions energy: -41.977
where: short stacking energy: -36.553
Base-Backbone interact. energy: -0.040
local terms energy: -57.480036
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -8.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -156.721868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.721868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.721868 (E_RNA)
where:
Base-Base interactions energy: -93.842
where: short stacking energy: -55.458
Base-Backbone interact. energy: -0.019
local terms energy: -62.860233
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -6.641
tors. eta vs tors. theta energy: -16.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -91.126047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.126047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.126047 (E_RNA)
where:
Base-Base interactions energy: -36.478
where: short stacking energy: -33.857
Base-Backbone interact. energy: -0.177
local terms energy: -54.471108
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -12.463
flat angles C4'-P-C4' energy: -9.433
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -9.437
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: 9, replica: 10
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -71.737908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.737908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.737908 (E_RNA)
where:
Base-Base interactions energy: -21.432
where: short stacking energy: -21.372
Base-Backbone interact. energy: 0.348
local terms energy: -50.653357
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -10.610
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: -0.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -86.133280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.133280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.133280 (E_RNA)
where:
Base-Base interactions energy: -32.803
where: short stacking energy: -31.945
Base-Backbone interact. energy: 0.875
local terms energy: -54.204861
where:
bonds (distance) C4'-P energy: -11.397
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -6.862
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: 4
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -189.440196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.440196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.440196 (E_RNA)
where:
Base-Base interactions energy: -115.907
where: short stacking energy: -61.658
Base-Backbone interact. energy: -0.462
local terms energy: -73.071196
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -15.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -197.084399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.084399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.084399 (E_RNA)
where:
Base-Base interactions energy: -123.043
where: short stacking energy: -68.014
Base-Backbone interact. energy: -0.003
local terms energy: -74.038136
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -18.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -185.514532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.514532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.514532 (E_RNA)
where:
Base-Base interactions energy: -112.832
where: short stacking energy: -52.872
Base-Backbone interact. energy: 0.009
local terms energy: -72.691872
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -18.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -170.138226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.138226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.138226 (E_RNA)
where:
Base-Base interactions energy: -110.337
where: short stacking energy: -55.483
Base-Backbone interact. energy: -0.204
local terms energy: -59.597782
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -9.087
flat angles P-C4'-P energy: -6.641
tors. eta vs tors. theta energy: -16.180
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: 1
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -100.244143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.244143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.244143 (E_RNA)
where:
Base-Base interactions energy: -50.804
where: short stacking energy: -36.832
Base-Backbone interact. energy: 0.183
local terms energy: -49.623117
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -12.003
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -3.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -171.445396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.445396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.445396 (E_RNA)
where:
Base-Base interactions energy: -104.218
where: short stacking energy: -57.262
Base-Backbone interact. energy: -0.012
local terms energy: -67.215061
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -16.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -102.637877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.637877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.637877 (E_RNA)
where:
Base-Base interactions energy: -52.600
where: short stacking energy: -32.893
Base-Backbone interact. energy: 0.354
local terms energy: -50.391488
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -6.095
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -6.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -74.656602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.656602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.656602 (E_RNA)
where:
Base-Base interactions energy: -21.057
where: short stacking energy: -19.136
Base-Backbone interact. energy: 2.287
local terms energy: -55.887335
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: 4.061
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: 2
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -79.150269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.150269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.150269 (E_RNA)
where:
Base-Base interactions energy: -32.533
where: short stacking energy: -32.533
Base-Backbone interact. energy: -0.335
local terms energy: -46.282851
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -5.529
tors. eta vs tors. theta energy: -2.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -84.437815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.437815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.437815 (E_RNA)
where:
Base-Base interactions energy: -37.624
where: short stacking energy: -37.624
Base-Backbone interact. energy: -0.603
local terms energy: -46.210294
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -10.645
flat angles C4'-P-C4' energy: -9.820
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -2.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -191.012844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.012844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.012844 (E_RNA)
where:
Base-Base interactions energy: -114.172
where: short stacking energy: -66.724
Base-Backbone interact. energy: -0.291
local terms energy: -76.550183
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -17.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -180.513816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.513816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.513816 (E_RNA)
where:
Base-Base interactions energy: -109.114
where: short stacking energy: -57.393
Base-Backbone interact. energy: -0.608
local terms energy: -70.791181
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -16.056
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -13.952
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: 5
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -188.452479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.452479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.452479 (E_RNA)
where:
Base-Base interactions energy: -107.015
where: short stacking energy: -60.378
Base-Backbone interact. energy: -0.092
local terms energy: -81.345440
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -20.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -167.663635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.663635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.663635 (E_RNA)
where:
Base-Base interactions energy: -104.690
where: short stacking energy: -47.768
Base-Backbone interact. energy: -0.279
local terms energy: -62.694740
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -7.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -152.208599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.208599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.208599 (E_RNA)
where:
Base-Base interactions energy: -89.343
where: short stacking energy: -47.979
Base-Backbone interact. energy: -0.206
local terms energy: -62.659135
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -10.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -107.032689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.032689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.032689 (E_RNA)
where:
Base-Base interactions energy: -46.619
where: short stacking energy: -39.589
Base-Backbone interact. energy: -0.214
local terms energy: -60.199575
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -8.505
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -8.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -79.302109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.302109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.302109 (E_RNA)
where:
Base-Base interactions energy: -23.423
where: short stacking energy: -23.423
Base-Backbone interact. energy: -0.624
local terms energy: -55.255038
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: 0.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -82.523936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.523936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.523936 (E_RNA)
where:
Base-Base interactions energy: -34.627
where: short stacking energy: -32.336
Base-Backbone interact. energy: -0.198
local terms energy: -47.698467
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -8.262
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -6.134
tors. eta vs tors. theta energy: -7.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -78.711852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.711852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.711852 (E_RNA)
where:
Base-Base interactions energy: -32.479
where: short stacking energy: -25.573
Base-Backbone interact. energy: -0.978
local terms energy: -45.255345
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -6.186
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -2.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -73.377474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.377474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.377474 (E_RNA)
where:
Base-Base interactions energy: -40.125
where: short stacking energy: -26.447
Base-Backbone interact. energy: -0.353
local terms energy: -32.899359
where:
bonds (distance) C4'-P energy: -6.538
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -3.379
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: 3.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -187.335892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.335892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.335892 (E_RNA)
where:
Base-Base interactions energy: -119.284
where: short stacking energy: -67.217
Base-Backbone interact. energy: -0.022
local terms energy: -68.030193
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -17.129
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: 199
Temperature: 0.950000
Total energy: -193.076223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.076223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.076223 (E_RNA)
where:
Base-Base interactions energy: -115.096
where: short stacking energy: -59.564
Base-Backbone interact. energy: -2.010
local terms energy: -75.970021
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -16.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -178.739614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.739614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.739614 (E_RNA)
where:
Base-Base interactions energy: -113.745
where: short stacking energy: -47.910
Base-Backbone interact. energy: 0.001
local terms energy: -64.996111
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -13.398
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: 8
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -175.869925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.869925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.869925 (E_RNA)
where:
Base-Base interactions energy: -115.108
where: short stacking energy: -57.594
Base-Backbone interact. energy: -0.242
local terms energy: -60.519826
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -10.151
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -15.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -172.719514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.719514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.719514 (E_RNA)
where:
Base-Base interactions energy: -104.368
where: short stacking energy: -63.742
Base-Backbone interact. energy: -0.011
local terms energy: -68.339970
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -2.555
tors. eta vs tors. theta energy: -20.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -93.827867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.827867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.827867 (E_RNA)
where:
Base-Base interactions energy: -35.432
where: short stacking energy: -35.432
Base-Backbone interact. energy: -0.232
local terms energy: -58.163790
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -10.112
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -9.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -83.142121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.142121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.142121 (E_RNA)
where:
Base-Base interactions energy: -34.355
where: short stacking energy: -31.881
Base-Backbone interact. energy: 1.767
local terms energy: -50.553674
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -6.260
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -5.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -86.827123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.827123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.827123 (E_RNA)
where:
Base-Base interactions energy: -30.495
where: short stacking energy: -30.495
Base-Backbone interact. energy: -0.217
local terms energy: -56.115335
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -6.667
tors. eta vs tors. theta energy: -2.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -84.782203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.782203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.782203 (E_RNA)
where:
Base-Base interactions energy: -40.998
where: short stacking energy: -33.659
Base-Backbone interact. energy: -0.030
local terms energy: -43.754103
where:
bonds (distance) C4'-P energy: -6.191
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -9.730
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -5.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -75.685775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.685775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.685775 (E_RNA)
where:
Base-Base interactions energy: -36.300
where: short stacking energy: -21.675
Base-Backbone interact. energy: 0.305
local terms energy: -39.690808
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -12.776
flat angles C4'-P-C4' energy: -10.958
flat angles P-C4'-P energy: -5.526
tors. eta vs tors. theta energy: 1.647
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: 1, replica: 5
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -192.272358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.272358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.272358 (E_RNA)
where:
Base-Base interactions energy: -123.471
where: short stacking energy: -62.850
Base-Backbone interact. energy: -0.207
local terms energy: -68.594633
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -19.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -183.845900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.845900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.845900 (E_RNA)
where:
Base-Base interactions energy: -110.163
where: short stacking energy: -57.499
Base-Backbone interact. energy: -1.090
local terms energy: -72.592622
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -15.637
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: 8
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -174.824598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.824598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.824598 (E_RNA)
where:
Base-Base interactions energy: -102.170
where: short stacking energy: -62.292
Base-Backbone interact. energy: -0.018
local terms energy: -72.636697
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -16.086
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: 4, replica: 4
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -169.312807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.312807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.312807 (E_RNA)
where:
Base-Base interactions energy: -100.130
where: short stacking energy: -54.111
Base-Backbone interact. energy: -0.775
local terms energy: -68.407646
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -11.483
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: 9
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -168.774037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.774037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.774037 (E_RNA)
where:
Base-Base interactions energy: -106.521
where: short stacking energy: -51.871
Base-Backbone interact. energy: -0.434
local terms energy: -61.819159
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -10.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -105.946309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.946309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.946309 (E_RNA)
where:
Base-Base interactions energy: -49.208
where: short stacking energy: -49.050
Base-Backbone interact. energy: -0.086
local terms energy: -56.651911
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -11.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -100.082866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.082866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.082866 (E_RNA)
where:
Base-Base interactions energy: -38.748
where: short stacking energy: -38.748
Base-Backbone interact. energy: -0.223
local terms energy: -61.112102
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -7.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -97.653777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.653777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.653777 (E_RNA)
where:
Base-Base interactions energy: -53.610
where: short stacking energy: -24.963
Base-Backbone interact. energy: 0.665
local terms energy: -44.708319
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: 1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -110.134518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.134518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.134518 (E_RNA)
where:
Base-Base interactions energy: -59.094
where: short stacking energy: -29.542
Base-Backbone interact. energy: -0.053
local terms energy: -50.987833
where:
bonds (distance) C4'-P energy: -8.618
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -10.696
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -8.735
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: 7
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -74.418768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.418768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.418768 (E_RNA)
where:
Base-Base interactions energy: -30.777
where: short stacking energy: -30.777
Base-Backbone interact. energy: -0.068
local terms energy: -43.573667
where:
bonds (distance) C4'-P energy: -8.534
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: -2.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -203.449321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.449321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.449321 (E_RNA)
where:
Base-Base interactions energy: -123.371
where: short stacking energy: -64.842
Base-Backbone interact. energy: -0.028
local terms energy: -80.051089
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -14.344
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -20.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -176.897084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.897084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.897084 (E_RNA)
where:
Base-Base interactions energy: -115.032
where: short stacking energy: -56.097
Base-Backbone interact. energy: -0.982
local terms energy: -60.883156
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -12.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -185.385240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.385240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.385240 (E_RNA)
where:
Base-Base interactions energy: -113.866
where: short stacking energy: -58.141
Base-Backbone interact. energy: -0.051
local terms energy: -71.468881
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -167.351923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.351923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.351923 (E_RNA)
where:
Base-Base interactions energy: -98.599
where: short stacking energy: -52.145
Base-Backbone interact. energy: -0.169
local terms energy: -68.584894
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -13.542
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: 9
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -168.959511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.959511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.959511 (E_RNA)
where:
Base-Base interactions energy: -112.518
where: short stacking energy: -55.459
Base-Backbone interact. energy: 1.407
local terms energy: -57.848658
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -6.359
tors. eta vs tors. theta energy: -10.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -92.819479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.819479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.819479 (E_RNA)
where:
Base-Base interactions energy: -31.309
where: short stacking energy: -30.412
Base-Backbone interact. energy: -0.253
local terms energy: -61.257818
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -11.147
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: 7, replica: 10
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -89.610209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.610209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.610209 (E_RNA)
where:
Base-Base interactions energy: -38.665
where: short stacking energy: -29.620
Base-Backbone interact. energy: -0.623
local terms energy: -50.321966
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -10.209
flat angles P-C4'-P energy: -4.766
tors. eta vs tors. theta energy: -3.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -90.012618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.012618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.012618 (E_RNA)
where:
Base-Base interactions energy: -34.329
where: short stacking energy: -34.329
Base-Backbone interact. energy: -0.013
local terms energy: -55.671041
where:
bonds (distance) C4'-P energy: -9.113
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -11.717
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -9.633
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: 1
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -85.048743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.048743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.048743 (E_RNA)
where:
Base-Base interactions energy: -33.468
where: short stacking energy: -33.468
Base-Backbone interact. energy: -0.060
local terms energy: -51.521042
where:
bonds (distance) C4'-P energy: -11.481
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -6.186
tors. eta vs tors. theta energy: -5.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -78.892198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.892198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.892198 (E_RNA)
where:
Base-Base interactions energy: -25.158
where: short stacking energy: -25.158
Base-Backbone interact. energy: -0.044
local terms energy: -53.690013
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -4.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -199.241438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.241438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.241438 (E_RNA)
where:
Base-Base interactions energy: -123.504
where: short stacking energy: -64.254
Base-Backbone interact. energy: -1.652
local terms energy: -74.085457
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -16.636
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: 6
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -191.414465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.414465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.414465 (E_RNA)
where:
Base-Base interactions energy: -116.354
where: short stacking energy: -59.096
Base-Backbone interact. energy: -1.269
local terms energy: -73.791444
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -17.447
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: 8
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -172.024639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.024639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.024639 (E_RNA)
where:
Base-Base interactions energy: -100.762
where: short stacking energy: -57.252
Base-Backbone interact. energy: -0.114
local terms energy: -71.148616
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -18.951
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: 202
Temperature: 1.050000
Total energy: -156.698483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.698483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.698483 (E_RNA)
where:
Base-Base interactions energy: -89.856
where: short stacking energy: -55.090
Base-Backbone interact. energy: 0.180
local terms energy: -67.021774
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -10.490
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -13.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -146.784765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.784765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.784765 (E_RNA)
where:
Base-Base interactions energy: -90.563
where: short stacking energy: -44.589
Base-Backbone interact. energy: -0.307
local terms energy: -55.914697
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -5.600
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: 202
Temperature: 1.150000
Total energy: -80.093559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.093559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.093559 (E_RNA)
where:
Base-Base interactions energy: -28.000
where: short stacking energy: -19.913
Base-Backbone interact. energy: 0.713
local terms energy: -52.805878
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: 1.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -86.705217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.705217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.705217 (E_RNA)
where:
Base-Base interactions energy: -31.606
where: short stacking energy: -26.054
Base-Backbone interact. energy: -0.104
local terms energy: -54.996068
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -3.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -87.846307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.846307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.846307 (E_RNA)
where:
Base-Base interactions energy: -34.849
where: short stacking energy: -32.241
Base-Backbone interact. energy: -1.339
local terms energy: -51.658309
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -6.005
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: 7
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -79.061814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.061814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.061814 (E_RNA)
where:
Base-Base interactions energy: -28.319
where: short stacking energy: -26.628
Base-Backbone interact. energy: -0.140
local terms energy: -50.602789
where:
bonds (distance) C4'-P energy: -8.523
bonds (distance) P-C4' energy: -12.650
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -2.277
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: 1
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -99.513021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.513021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.513021 (E_RNA)
where:
Base-Base interactions energy: -56.751
where: short stacking energy: -22.090
Base-Backbone interact. energy: -0.573
local terms energy: -42.188555
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -10.028
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: 0.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -195.067524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.067524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.067524 (E_RNA)
where:
Base-Base interactions energy: -115.551
where: short stacking energy: -70.334
Base-Backbone interact. energy: -0.346
local terms energy: -79.170576
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -20.449
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: 6
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -182.042915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.042915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.042915 (E_RNA)
where:
Base-Base interactions energy: -115.359
where: short stacking energy: -59.283
Base-Backbone interact. energy: 0.455
local terms energy: -67.138991
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -15.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -180.691417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.691417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.691417 (E_RNA)
where:
Base-Base interactions energy: -109.557
where: short stacking energy: -56.380
Base-Backbone interact. energy: -1.209
local terms energy: -69.925204
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -13.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -175.427961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.427961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.427961 (E_RNA)
where:
Base-Base interactions energy: -105.507
where: short stacking energy: -61.562
Base-Backbone interact. energy: -0.871
local terms energy: -69.049880
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -8.250
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -17.212
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: 203
Temperature: 1.100000
Total energy: -155.733290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.733290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.733290 (E_RNA)
where:
Base-Base interactions energy: -91.187
where: short stacking energy: -59.525
Base-Backbone interact. energy: -0.289
local terms energy: -64.256577
where:
bonds (distance) C4'-P energy: -10.106
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -14.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -95.227637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.227637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.227637 (E_RNA)
where:
Base-Base interactions energy: -35.157
where: short stacking energy: -35.157
Base-Backbone interact. energy: -0.012
local terms energy: -60.058922
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -8.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -85.586719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.586719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.586719 (E_RNA)
where:
Base-Base interactions energy: -28.661
where: short stacking energy: -28.661
Base-Backbone interact. energy: -0.146
local terms energy: -56.779799
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -2.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -78.619804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.619804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.619804 (E_RNA)
where:
Base-Base interactions energy: -20.564
where: short stacking energy: -20.564
Base-Backbone interact. energy: -0.193
local terms energy: -57.862763
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -11.190
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: 9, replica: 10
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -87.270430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.270430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.270430 (E_RNA)
where:
Base-Base interactions energy: -37.681
where: short stacking energy: -33.835
Base-Backbone interact. energy: -0.369
local terms energy: -49.220675
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -10.322
flat angles C4'-P-C4' energy: -9.348
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -6.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -71.746209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.746209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.746209 (E_RNA)
where:
Base-Base interactions energy: -28.347
where: short stacking energy: -26.475
Base-Backbone interact. energy: -0.264
local terms energy: -43.134902
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -6.467
flat angles P-C4'-P energy: -4.658
tors. eta vs tors. theta energy: -1.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -185.132779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.132779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.132779 (E_RNA)
where:
Base-Base interactions energy: -110.588
where: short stacking energy: -63.869
Base-Backbone interact. energy: 0.632
local terms energy: -75.176821
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -15.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -183.991173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.991173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.991173 (E_RNA)
where:
Base-Base interactions energy: -122.304
where: short stacking energy: -53.103
Base-Backbone interact. energy: 0.500
local terms energy: -62.187746
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -4.910
tors. eta vs tors. theta energy: -12.645
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: 9
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -186.201210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.201210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.201210 (E_RNA)
where:
Base-Base interactions energy: -115.617
where: short stacking energy: -52.834
Base-Backbone interact. energy: -0.189
local terms energy: -70.395520
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -15.280
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: 4, replica: 8
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -161.754152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.754152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.754152 (E_RNA)
where:
Base-Base interactions energy: -97.170
where: short stacking energy: -39.554
Base-Backbone interact. energy: 1.297
local terms energy: -65.881464
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -10.361
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: 5, replica: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -100.276664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.276664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.276664 (E_RNA)
where:
Base-Base interactions energy: -44.915
where: short stacking energy: -33.794
Base-Backbone interact. energy: -0.088
local terms energy: -55.273183
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -1.173
tors. eta vs tors. theta energy: -5.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -134.507174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.507174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.507174 (E_RNA)
where:
Base-Base interactions energy: -81.328
where: short stacking energy: -46.223
Base-Backbone interact. energy: -0.334
local terms energy: -52.845315
where:
bonds (distance) C4'-P energy: -5.802
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -4.060
tors. eta vs tors. theta energy: -13.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -118.879520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.879520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.879520 (E_RNA)
where:
Base-Base interactions energy: -64.643
where: short stacking energy: -40.226
Base-Backbone interact. energy: -0.027
local terms energy: -54.209090
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -9.471
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -7.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -88.230261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.230261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.230261 (E_RNA)
where:
Base-Base interactions energy: -31.944
where: short stacking energy: -31.901
Base-Backbone interact. energy: 0.785
local terms energy: -57.071075
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -11.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -85.631672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.631672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.631672 (E_RNA)
where:
Base-Base interactions energy: -27.141
where: short stacking energy: -25.381
Base-Backbone interact. energy: 0.869
local terms energy: -59.359012
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: -8.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -82.653204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.653204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.653204 (E_RNA)
where:
Base-Base interactions energy: -34.216
where: short stacking energy: -34.216
Base-Backbone interact. energy: -0.024
local terms energy: -48.413115
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -8.114
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -4.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -182.177053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.177053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.177053 (E_RNA)
where:
Base-Base interactions energy: -118.222
where: short stacking energy: -52.373
Base-Backbone interact. energy: -0.164
local terms energy: -63.791695
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -9.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -206.892297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.892297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.892297 (E_RNA)
where:
Base-Base interactions energy: -128.794
where: short stacking energy: -72.132
Base-Backbone interact. energy: -0.295
local terms energy: -77.803015
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -19.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -210.133381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.133381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.133381 (E_RNA)
where:
Base-Base interactions energy: -138.571
where: short stacking energy: -62.012
Base-Backbone interact. energy: -0.103
local terms energy: -71.459672
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -19.067
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: 8
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -169.683451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.683451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.683451 (E_RNA)
where:
Base-Base interactions energy: -104.103
where: short stacking energy: -48.066
Base-Backbone interact. energy: -0.100
local terms energy: -65.480032
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -14.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -95.513507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.513507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.513507 (E_RNA)
where:
Base-Base interactions energy: -38.478
where: short stacking energy: -30.259
Base-Backbone interact. energy: -0.173
local terms energy: -56.862095
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -7.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -100.890220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.890220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.890220 (E_RNA)
where:
Base-Base interactions energy: -42.422
where: short stacking energy: -34.422
Base-Backbone interact. energy: -0.613
local terms energy: -57.855271
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -10.020
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -95.039550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.039550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.039550 (E_RNA)
where:
Base-Base interactions energy: -39.225
where: short stacking energy: -33.294
Base-Backbone interact. energy: -0.126
local terms energy: -55.688563
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -4.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -80.529842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.529842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.529842 (E_RNA)
where:
Base-Base interactions energy: -29.918
where: short stacking energy: -29.848
Base-Backbone interact. energy: -0.135
local terms energy: -50.477533
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -7.569
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: 7
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -80.910597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.910597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.910597 (E_RNA)
where:
Base-Base interactions energy: -28.948
where: short stacking energy: -28.948
Base-Backbone interact. energy: 1.507
local terms energy: -53.470044
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: 1.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -71.870687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.870687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.870687 (E_RNA)
where:
Base-Base interactions energy: -27.790
where: short stacking energy: -26.006
Base-Backbone interact. energy: 0.081
local terms energy: -44.161162
where:
bonds (distance) C4'-P energy: -9.302
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -10.301
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -0.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -200.369835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.369835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.369835 (E_RNA)
where:
Base-Base interactions energy: -122.705
where: short stacking energy: -66.907
Base-Backbone interact. energy: -1.793
local terms energy: -75.871556
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -18.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -179.211115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.211115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.211115 (E_RNA)
where:
Base-Base interactions energy: -105.117
where: short stacking energy: -49.960
Base-Backbone interact. energy: -0.895
local terms energy: -73.198821
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -14.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -186.052340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.052340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.052340 (E_RNA)
where:
Base-Base interactions energy: -113.102
where: short stacking energy: -58.768
Base-Backbone interact. energy: 0.257
local terms energy: -73.207412
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -15.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -195.480028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.480028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.480028 (E_RNA)
where:
Base-Base interactions energy: -122.985
where: short stacking energy: -63.170
Base-Backbone interact. energy: -0.151
local terms energy: -72.343697
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -15.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -92.851459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.851459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.851459 (E_RNA)
where:
Base-Base interactions energy: -35.607
where: short stacking energy: -31.081
Base-Backbone interact. energy: -0.159
local terms energy: -57.085483
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -1.653
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: 206
Temperature: 1.150000
Total energy: -96.705175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.705175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.705175 (E_RNA)
where:
Base-Base interactions energy: -44.855
where: short stacking energy: -38.582
Base-Backbone interact. energy: -0.338
local terms energy: -51.511250
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -10.900
flat angles P-C4'-P energy: -5.524
tors. eta vs tors. theta energy: -3.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -93.008077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.008077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.008077 (E_RNA)
where:
Base-Base interactions energy: -30.466
where: short stacking energy: -24.675
Base-Backbone interact. energy: 1.258
local terms energy: -63.799792
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -9.785
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: 4
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -79.491555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.491555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.491555 (E_RNA)
where:
Base-Base interactions energy: -33.036
where: short stacking energy: -33.036
Base-Backbone interact. energy: -0.086
local terms energy: -46.369561
where:
bonds (distance) C4'-P energy: -8.803
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -0.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -76.744260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.744260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.744260 (E_RNA)
where:
Base-Base interactions energy: -25.832
where: short stacking energy: -24.445
Base-Backbone interact. energy: 0.833
local terms energy: -51.745059
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: 0.492
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: 206
Temperature: 1.350000
Total energy: -82.521958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.521958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.521958 (E_RNA)
where:
Base-Base interactions energy: -32.204
where: short stacking energy: -32.184
Base-Backbone interact. energy: -0.809
local terms energy: -49.509005
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -10.287
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -4.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -202.199325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.199325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.199325 (E_RNA)
where:
Base-Base interactions energy: -120.352
where: short stacking energy: -67.070
Base-Backbone interact. energy: -0.012
local terms energy: -81.835431
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -14.351
tors. eta vs tors. theta energy: -20.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -198.653031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.653031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.653031 (E_RNA)
where:
Base-Base interactions energy: -123.865
where: short stacking energy: -54.328
Base-Backbone interact. energy: -0.569
local terms energy: -74.218741
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -16.650
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: 6
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -172.632856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.632856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.632856 (E_RNA)
where:
Base-Base interactions energy: -111.550
where: short stacking energy: -50.066
Base-Backbone interact. energy: -0.109
local terms energy: -60.973573
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -9.472
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -11.004
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: 5
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -182.182190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.182190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.182190 (E_RNA)
where:
Base-Base interactions energy: -121.106
where: short stacking energy: -54.884
Base-Backbone interact. energy: -0.074
local terms energy: -61.002172
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -7.891
flat angles P-C4'-P energy: -4.184
tors. eta vs tors. theta energy: -16.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -97.183269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.183269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.183269 (E_RNA)
where:
Base-Base interactions energy: -42.036
where: short stacking energy: -39.222
Base-Backbone interact. energy: 0.118
local terms energy: -55.265224
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -5.263
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: 6, replica: 2
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -90.094843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.094843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.094843 (E_RNA)
where:
Base-Base interactions energy: -44.630
where: short stacking energy: -32.206
Base-Backbone interact. energy: -0.006
local terms energy: -45.459339
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -9.319
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -2.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -87.495958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.495958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.495958 (E_RNA)
where:
Base-Base interactions energy: -31.502
where: short stacking energy: -29.124
Base-Backbone interact. energy: -0.180
local terms energy: -55.814336
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -1.663
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: 8, replica: 4
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -91.693829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.693829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.693829 (E_RNA)
where:
Base-Base interactions energy: -38.862
where: short stacking energy: -20.553
Base-Backbone interact. energy: -0.709
local terms energy: -52.122616
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -9.856
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: 0.322
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: 7
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -87.173922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.173922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.173922 (E_RNA)
where:
Base-Base interactions energy: -37.049
where: short stacking energy: -28.522
Base-Backbone interact. energy: -0.922
local terms energy: -49.203309
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -0.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -88.534931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.534931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.534931 (E_RNA)
where:
Base-Base interactions energy: -39.527
where: short stacking energy: -30.089
Base-Backbone interact. energy: 0.247
local terms energy: -49.254960
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -1.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -216.264738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.264738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.264738 (E_RNA)
where:
Base-Base interactions energy: -135.142
where: short stacking energy: -60.242
Base-Backbone interact. energy: -0.164
local terms energy: -80.958447
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -18.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -195.563960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.563960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.563960 (E_RNA)
where:
Base-Base interactions energy: -130.511
where: short stacking energy: -53.983
Base-Backbone interact. energy: 0.707
local terms energy: -65.760250
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -13.131
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: 5
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -183.472362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.472362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.472362 (E_RNA)
where:
Base-Base interactions energy: -111.957
where: short stacking energy: -59.510
Base-Backbone interact. energy: -0.029
local terms energy: -71.486549
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -12.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -171.775283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.775283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.775283 (E_RNA)
where:
Base-Base interactions energy: -106.405
where: short stacking energy: -55.664
Base-Backbone interact. energy: 0.062
local terms energy: -65.432439
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -12.428
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: 208
Temperature: 1.100000
Total energy: -105.163761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.163761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.163761 (E_RNA)
where:
Base-Base interactions energy: -48.007
where: short stacking energy: -48.007
Base-Backbone interact. energy: -0.003
local terms energy: -57.153772
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -6.812
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: 3
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -98.336299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.336299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.336299 (E_RNA)
where:
Base-Base interactions energy: -37.574
where: short stacking energy: -37.574
Base-Backbone interact. energy: -0.077
local terms energy: -60.685885
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -9.847
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: 4
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -87.691964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.691964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.691964 (E_RNA)
where:
Base-Base interactions energy: -38.107
where: short stacking energy: -26.090
Base-Backbone interact. energy: -0.305
local terms energy: -49.279972
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: 2.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -88.920338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.920338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.920338 (E_RNA)
where:
Base-Base interactions energy: -37.009
where: short stacking energy: -36.654
Base-Backbone interact. energy: -0.189
local terms energy: -51.722847
where:
bonds (distance) C4'-P energy: -7.686
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -9.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -76.325361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.325361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.325361 (E_RNA)
where:
Base-Base interactions energy: -30.577
where: short stacking energy: -25.473
Base-Backbone interact. energy: -0.374
local terms energy: -45.374312
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -10.555
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: 3.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -71.825058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.825058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.825058 (E_RNA)
where:
Base-Base interactions energy: -23.498
where: short stacking energy: -23.498
Base-Backbone interact. energy: -0.163
local terms energy: -48.163873
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -1.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -209.338648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.338648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.338648 (E_RNA)
where:
Base-Base interactions energy: -136.117
where: short stacking energy: -64.389
Base-Backbone interact. energy: -0.208
local terms energy: -73.013583
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -15.662
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: 209
Temperature: 0.950000
Total energy: -184.524944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.524944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.524944 (E_RNA)
where:
Base-Base interactions energy: -116.641
where: short stacking energy: -66.650
Base-Backbone interact. energy: -0.143
local terms energy: -67.740199
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -5.532
tors. eta vs tors. theta energy: -16.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -197.135317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.135317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.135317 (E_RNA)
where:
Base-Base interactions energy: -127.086
where: short stacking energy: -62.856
Base-Backbone interact. energy: -0.145
local terms energy: -69.904185
where:
bonds (distance) C4'-P energy: -10.121
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -19.077
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: 4, replica: 6
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -164.790493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.790493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.790493 (E_RNA)
where:
Base-Base interactions energy: -97.255
where: short stacking energy: -50.959
Base-Backbone interact. energy: -0.131
local terms energy: -67.404411
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -10.361
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -11.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -105.607548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.607548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.607548 (E_RNA)
where:
Base-Base interactions energy: -53.194
where: short stacking energy: -41.419
Base-Backbone interact. energy: 0.072
local terms energy: -52.484732
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -7.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -96.552873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.552873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.552873 (E_RNA)
where:
Base-Base interactions energy: -40.436
where: short stacking energy: -35.572
Base-Backbone interact. energy: -0.330
local terms energy: -55.786888
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -8.224
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -8.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -86.505353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.505353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.505353 (E_RNA)
where:
Base-Base interactions energy: -35.271
where: short stacking energy: -35.271
Base-Backbone interact. energy: -0.187
local terms energy: -51.046996
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -12.245
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -4.088
tors. eta vs tors. theta energy: -7.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -82.818504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.818504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.818504 (E_RNA)
where:
Base-Base interactions energy: -34.311
where: short stacking energy: -34.311
Base-Backbone interact. energy: -0.085
local terms energy: -48.423046
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -10.476
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -6.663
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: 1
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -86.819164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.819164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.819164 (E_RNA)
where:
Base-Base interactions energy: -35.199
where: short stacking energy: -31.103
Base-Backbone interact. energy: -0.871
local terms energy: -50.749747
where:
bonds (distance) C4'-P energy: -6.985
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -4.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -70.054971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.054971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.054971 (E_RNA)
where:
Base-Base interactions energy: -23.185
where: short stacking energy: -23.185
Base-Backbone interact. energy: -0.132
local terms energy: -46.737531
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -8.613
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: 8
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -205.060477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.060477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.060477 (E_RNA)
where:
Base-Base interactions energy: -127.163
where: short stacking energy: -63.951
Base-Backbone interact. energy: -0.087
local terms energy: -77.811172
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: -19.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -203.795224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.795224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.795224 (E_RNA)
where:
Base-Base interactions energy: -123.042
where: short stacking energy: -71.217
Base-Backbone interact. energy: -0.001
local terms energy: -80.752880
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -22.149
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: 9
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -200.757538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.757538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.757538 (E_RNA)
where:
Base-Base interactions energy: -128.550
where: short stacking energy: -61.133
Base-Backbone interact. energy: 1.118
local terms energy: -73.325822
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -5.848
tors. eta vs tors. theta energy: -18.149
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: 4, replica: 6
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -168.432613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.432613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.432613 (E_RNA)
where:
Base-Base interactions energy: -105.926
where: short stacking energy: -58.005
Base-Backbone interact. energy: -0.204
local terms energy: -62.302850
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -13.262
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: 210
Temperature: 1.100000
Total energy: -96.758370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.758370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.758370 (E_RNA)
where:
Base-Base interactions energy: -37.036
where: short stacking energy: -32.316
Base-Backbone interact. energy: 0.570
local terms energy: -60.292445
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -7.511
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: 3
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -96.393058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.393058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.393058 (E_RNA)
where:
Base-Base interactions energy: -39.730
where: short stacking energy: -34.859
Base-Backbone interact. energy: -0.047
local terms energy: -56.616159
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -5.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -87.231699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.231699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.231699 (E_RNA)
where:
Base-Base interactions energy: -31.800
where: short stacking energy: -29.427
Base-Backbone interact. energy: -0.359
local terms energy: -55.072784
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -7.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -90.506299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.506299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.506299 (E_RNA)
where:
Base-Base interactions energy: -36.030
where: short stacking energy: -33.789
Base-Backbone interact. energy: -0.037
local terms energy: -54.439170
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -6.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -81.772501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.772501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.772501 (E_RNA)
where:
Base-Base interactions energy: -28.118
where: short stacking energy: -22.279
Base-Backbone interact. energy: -0.192
local terms energy: -53.462365
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: 1.834
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: 1
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -79.817024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.817024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.817024 (E_RNA)
where:
Base-Base interactions energy: -30.839
where: short stacking energy: -26.002
Base-Backbone interact. energy: -0.330
local terms energy: -48.648475
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: -2.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -209.662478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.662478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.662478 (E_RNA)
where:
Base-Base interactions energy: -134.566
where: short stacking energy: -66.269
Base-Backbone interact. energy: -0.143
local terms energy: -74.953366
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -17.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -202.017306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.017306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.017306 (E_RNA)
where:
Base-Base interactions energy: -134.935
where: short stacking energy: -61.644
Base-Backbone interact. energy: -0.079
local terms energy: -67.002646
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -8.983
flat angles P-C4'-P energy: -8.350
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: 3, replica: 5
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -193.401567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.401567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.401567 (E_RNA)
where:
Base-Base interactions energy: -116.466
where: short stacking energy: -66.504
Base-Backbone interact. energy: -0.578
local terms energy: -76.357618
where:
bonds (distance) C4'-P energy: -11.281
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -19.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -182.822160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.822160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.822160 (E_RNA)
where:
Base-Base interactions energy: -104.189
where: short stacking energy: -55.107
Base-Backbone interact. energy: -0.652
local terms energy: -77.981729
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -17.433
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: 2
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -100.170846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.170846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.170846 (E_RNA)
where:
Base-Base interactions energy: -41.211
where: short stacking energy: -37.389
Base-Backbone interact. energy: -0.122
local terms energy: -58.837948
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -8.731
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -10.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -94.486368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.486368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.486368 (E_RNA)
where:
Base-Base interactions energy: -38.524
where: short stacking energy: -37.057
Base-Backbone interact. energy: -1.068
local terms energy: -54.894157
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -6.786
tors. eta vs tors. theta energy: -2.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -101.078409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.078409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.078409 (E_RNA)
where:
Base-Base interactions energy: -48.974
where: short stacking energy: -32.161
Base-Backbone interact. energy: -0.295
local terms energy: -51.809336
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -4.807
tors. eta vs tors. theta energy: -2.770
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: 4
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -85.562254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.562254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.562254 (E_RNA)
where:
Base-Base interactions energy: -33.351
where: short stacking energy: -32.523
Base-Backbone interact. energy: -0.007
local terms energy: -52.204037
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -6.152
tors. eta vs tors. theta energy: -6.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -96.489498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.489498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.489498 (E_RNA)
where:
Base-Base interactions energy: -56.793
where: short stacking energy: -24.509
Base-Backbone interact. energy: -0.196
local terms energy: -39.500747
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -9.030
flat angles C4'-P-C4' energy: -10.310
flat angles P-C4'-P energy: -4.837
tors. eta vs tors. theta energy: -5.444
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: 1
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -69.827096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.827096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.827096 (E_RNA)
where:
Base-Base interactions energy: -23.152
where: short stacking energy: -20.476
Base-Backbone interact. energy: -0.274
local terms energy: -46.401058
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: 2.980
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: 9
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -194.514172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.514172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.514172 (E_RNA)
where:
Base-Base interactions energy: -120.163
where: short stacking energy: -63.172
Base-Backbone interact. energy: -0.110
local terms energy: -74.240609
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -18.466
flat angles C4'-P-C4' energy: -10.009
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -21.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -208.424597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.424597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.424597 (E_RNA)
where:
Base-Base interactions energy: -134.075
where: short stacking energy: -59.535
Base-Backbone interact. energy: -0.692
local terms energy: -73.657335
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -17.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -175.182136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.182136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.182136 (E_RNA)
where:
Base-Base interactions energy: -110.277
where: short stacking energy: -51.781
Base-Backbone interact. energy: -0.013
local terms energy: -64.892229
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -11.198
flat angles P-C4'-P energy: -9.749
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: 4, replica: 5
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -181.842256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.842256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.842256 (E_RNA)
where:
Base-Base interactions energy: -113.483
where: short stacking energy: -58.931
Base-Backbone interact. energy: 0.367
local terms energy: -68.726235
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -13.855
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: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -109.578695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.578695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.578695 (E_RNA)
where:
Base-Base interactions energy: -57.675
where: short stacking energy: -26.647
Base-Backbone interact. energy: -0.188
local terms energy: -51.716429
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -0.330
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: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -95.912911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.912911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.912911 (E_RNA)
where:
Base-Base interactions energy: -39.639
where: short stacking energy: -39.639
Base-Backbone interact. energy: -0.002
local terms energy: -56.271664
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -5.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -89.166681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.166681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.166681 (E_RNA)
where:
Base-Base interactions energy: -29.901
where: short stacking energy: -29.601
Base-Backbone interact. energy: -0.135
local terms energy: -59.130196
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -11.217
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: 8, replica: 10
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -92.340106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.340106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.340106 (E_RNA)
where:
Base-Base interactions energy: -34.121
where: short stacking energy: -34.121
Base-Backbone interact. energy: -0.078
local terms energy: -58.141206
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -5.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -98.242916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.242916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.242916 (E_RNA)
where:
Base-Base interactions energy: -51.277
where: short stacking energy: -23.915
Base-Backbone interact. energy: 1.433
local terms energy: -48.398469
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -10.604
flat angles P-C4'-P energy: -5.572
tors. eta vs tors. theta energy: -4.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -84.248098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.248098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.248098 (E_RNA)
where:
Base-Base interactions energy: -39.794
where: short stacking energy: -27.091
Base-Backbone interact. energy: 1.355
local terms energy: -45.808618
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: 0.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -206.715577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.715577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.715577 (E_RNA)
where:
Base-Base interactions energy: -131.472
where: short stacking energy: -69.134
Base-Backbone interact. energy: 0.555
local terms energy: -75.798363
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -18.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -197.004127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.004127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.004127 (E_RNA)
where:
Base-Base interactions energy: -123.033
where: short stacking energy: -70.464
Base-Backbone interact. energy: -0.131
local terms energy: -73.840216
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -19.472
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: 6
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -178.555560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.555560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.555560 (E_RNA)
where:
Base-Base interactions energy: -107.428
where: short stacking energy: -52.541
Base-Backbone interact. energy: 0.159
local terms energy: -71.286594
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -15.590
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: 5
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -191.290306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.290306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.290306 (E_RNA)
where:
Base-Base interactions energy: -119.913
where: short stacking energy: -60.066
Base-Backbone interact. energy: 0.645
local terms energy: -72.021931
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -5.302
tors. eta vs tors. theta energy: -21.141
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: 5, replica: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -136.597912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.597912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.597912 (E_RNA)
where:
Base-Base interactions energy: -82.925
where: short stacking energy: -43.550
Base-Backbone interact. energy: -1.026
local terms energy: -52.646524
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -10.611
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -8.969
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: 4
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -108.879078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.879078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.879078 (E_RNA)
where:
Base-Base interactions energy: -49.395
where: short stacking energy: -28.823
Base-Backbone interact. energy: -0.157
local terms energy: -59.327154
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -7.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -92.635772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.635772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.635772 (E_RNA)
where:
Base-Base interactions energy: -35.022
where: short stacking energy: -34.317
Base-Backbone interact. energy: -0.075
local terms energy: -57.538267
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -14.786
tors. eta vs tors. theta energy: -6.288
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: 7
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -82.325495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.325495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.325495 (E_RNA)
where:
Base-Base interactions energy: -29.755
where: short stacking energy: -29.569
Base-Backbone interact. energy: -0.093
local terms energy: -52.477800
where:
bonds (distance) C4'-P energy: -7.157
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -8.924
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: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -79.991970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.991970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.991970 (E_RNA)
where:
Base-Base interactions energy: -28.619
where: short stacking energy: -27.506
Base-Backbone interact. energy: -0.152
local terms energy: -51.221035
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -3.790
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: 1
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -84.805484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.805484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.805484 (E_RNA)
where:
Base-Base interactions energy: -35.129
where: short stacking energy: -25.224
Base-Backbone interact. energy: -0.157
local terms energy: -49.519089
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: 0.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -193.019907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.019907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.019907 (E_RNA)
where:
Base-Base interactions energy: -120.232
where: short stacking energy: -59.876
Base-Backbone interact. energy: -0.577
local terms energy: -72.210327
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -15.430
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: 8
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -193.679160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.679160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.679160 (E_RNA)
where:
Base-Base interactions energy: -120.131
where: short stacking energy: -62.839
Base-Backbone interact. energy: -0.039
local terms energy: -73.508763
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -12.515
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -19.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -187.516947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.516947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.516947 (E_RNA)
where:
Base-Base interactions energy: -116.297
where: short stacking energy: -59.151
Base-Backbone interact. energy: -0.092
local terms energy: -71.127764
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -18.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -179.547206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.547206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.547206 (E_RNA)
where:
Base-Base interactions energy: -116.485
where: short stacking energy: -59.594
Base-Backbone interact. energy: 1.925
local terms energy: -64.986895
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -6.594
tors. eta vs tors. theta energy: -19.282
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: 5, replica: 2
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -104.698388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.698388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.698388 (E_RNA)
where:
Base-Base interactions energy: -47.174
where: short stacking energy: -47.174
Base-Backbone interact. energy: -0.529
local terms energy: -56.995203
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -10.516
flat angles P-C4'-P energy: -6.282
tors. eta vs tors. theta energy: -13.016
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: 4
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -100.108843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.108843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.108843 (E_RNA)
where:
Base-Base interactions energy: -40.137
where: short stacking energy: -27.860
Base-Backbone interact. energy: -0.368
local terms energy: -59.604003
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -7.889
flat angles P-C4'-P energy: -14.120
tors. eta vs tors. theta energy: -8.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -108.722561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.722561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.722561 (E_RNA)
where:
Base-Base interactions energy: -51.721
where: short stacking energy: -44.644
Base-Backbone interact. energy: -0.020
local terms energy: -56.981774
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -10.350
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: 7
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -96.109351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.109351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.109351 (E_RNA)
where:
Base-Base interactions energy: -44.169
where: short stacking energy: -28.891
Base-Backbone interact. energy: -0.257
local terms energy: -51.683832
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -10.485
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: -6.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -85.246992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.246992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.246992 (E_RNA)
where:
Base-Base interactions energy: -43.382
where: short stacking energy: -23.258
Base-Backbone interact. energy: -0.246
local terms energy: -41.619160
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -10.485
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -8.215
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: 10, replica: 10
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -91.595151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.595151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.595151 (E_RNA)
where:
Base-Base interactions energy: -34.766
where: short stacking energy: -34.766
Base-Backbone interact. energy: -0.159
local terms energy: -56.670311
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -5.039
tors. eta vs tors. theta energy: -5.259
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: 215
Temperature: 0.900000
Total energy: -201.153622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.153622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.153622 (E_RNA)
where:
Base-Base interactions energy: -120.595
where: short stacking energy: -65.947
Base-Backbone interact. energy: 0.442
local terms energy: -81.000509
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -17.633
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -19.688
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: 5
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -193.881591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.881591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.881591 (E_RNA)
where:
Base-Base interactions energy: -115.534
where: short stacking energy: -62.071
Base-Backbone interact. energy: -0.007
local terms energy: -78.340160
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -20.523
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: 8
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -192.994770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.994770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.994770 (E_RNA)
where:
Base-Base interactions energy: -121.328
where: short stacking energy: -71.407
Base-Backbone interact. energy: -0.021
local terms energy: -71.645049
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -6.316
tors. eta vs tors. theta energy: -17.198
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: 6
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -173.197773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.197773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.197773 (E_RNA)
where:
Base-Base interactions energy: -101.226
where: short stacking energy: -59.912
Base-Backbone interact. energy: -0.090
local terms energy: -71.882388
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -15.873
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -15.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -98.129765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.129765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.129765 (E_RNA)
where:
Base-Base interactions energy: -38.038
where: short stacking energy: -28.485
Base-Backbone interact. energy: -0.598
local terms energy: -59.494717
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -8.669
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: 3
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -93.092014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.092014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.092014 (E_RNA)
where:
Base-Base interactions energy: -34.309
where: short stacking energy: -32.573
Base-Backbone interact. energy: -0.124
local terms energy: -58.659000
where:
bonds (distance) C4'-P energy: -10.411
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -6.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -119.739766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.739766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.739766 (E_RNA)
where:
Base-Base interactions energy: -67.485
where: short stacking energy: -39.063
Base-Backbone interact. energy: -0.608
local terms energy: -51.646749
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -10.555
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -5.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -86.085666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.085666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.085666 (E_RNA)
where:
Base-Base interactions energy: -29.238
where: short stacking energy: -29.238
Base-Backbone interact. energy: -0.113
local terms energy: -56.734655
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -2.168
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: 7
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -96.439323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.439323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.439323 (E_RNA)
where:
Base-Base interactions energy: -50.957
where: short stacking energy: -23.723
Base-Backbone interact. energy: 0.084
local terms energy: -45.566864
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -11.413
flat angles C4'-P-C4' energy: -8.671
flat angles P-C4'-P energy: -4.173
tors. eta vs tors. theta energy: -5.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -76.116866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.116866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.116866 (E_RNA)
where:
Base-Base interactions energy: -24.313
where: short stacking energy: -20.268
Base-Backbone interact. energy: -0.166
local terms energy: -51.638579
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -9.022
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -6.060
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: 216
Temperature: 0.900000
Total energy: -198.860841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.860841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.860841 (E_RNA)
where:
Base-Base interactions energy: -122.674
where: short stacking energy: -69.383
Base-Backbone interact. energy: -1.272
local terms energy: -74.915046
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -19.829
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: 9
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -204.201371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.201371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.201371 (E_RNA)
where:
Base-Base interactions energy: -124.078
where: short stacking energy: -67.382
Base-Backbone interact. energy: -0.604
local terms energy: -79.520238
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -19.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -179.328036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.328036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.328036 (E_RNA)
where:
Base-Base interactions energy: -107.440
where: short stacking energy: -61.561
Base-Backbone interact. energy: -0.306
local terms energy: -71.581716
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -17.639
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: 8
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -165.417123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.417123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.417123 (E_RNA)
where:
Base-Base interactions energy: -94.286
where: short stacking energy: -52.786
Base-Backbone interact. energy: -0.610
local terms energy: -70.521756
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -13.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -108.175357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.175357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.175357 (E_RNA)
where:
Base-Base interactions energy: -59.574
where: short stacking energy: -31.690
Base-Backbone interact. energy: -0.331
local terms energy: -48.270696
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -6.678
tors. eta vs tors. theta energy: -0.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -103.558489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.558489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.558489 (E_RNA)
where:
Base-Base interactions energy: -53.087
where: short stacking energy: -53.087
Base-Backbone interact. energy: -0.001
local terms energy: -50.470636
where:
bonds (distance) C4'-P energy: -4.601
bonds (distance) P-C4' energy: -8.604
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -11.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -132.101704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.101704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.101704 (E_RNA)
where:
Base-Base interactions energy: -84.971
where: short stacking energy: -33.395
Base-Backbone interact. energy: -0.189
local terms energy: -46.942547
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -12.251
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -4.636
tors. eta vs tors. theta energy: -3.148
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: 1
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -80.417276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.417276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.417276 (E_RNA)
where:
Base-Base interactions energy: -37.279
where: short stacking energy: -27.082
Base-Backbone interact. energy: 2.522
local terms energy: -45.660022
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -9.306
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: 216
Temperature: 1.300000
Total energy: -83.694367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.694367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.694367 (E_RNA)
where:
Base-Base interactions energy: -30.649
where: short stacking energy: -30.174
Base-Backbone interact. energy: -0.709
local terms energy: -52.335839
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -10.455
flat angles P-C4'-P energy: -9.658
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: 7
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -78.817328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.817328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.817328 (E_RNA)
where:
Base-Base interactions energy: -24.415
where: short stacking energy: -21.268
Base-Backbone interact. energy: -0.007
local terms energy: -54.395533
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -8.361
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -3.818
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: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -203.891781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.891781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.891781 (E_RNA)
where:
Base-Base interactions energy: -130.624
where: short stacking energy: -68.858
Base-Backbone interact. energy: -0.450
local terms energy: -72.818477
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -12.705
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -19.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -188.970088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.970088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.970088 (E_RNA)
where:
Base-Base interactions energy: -113.382
where: short stacking energy: -58.045
Base-Backbone interact. energy: -0.074
local terms energy: -75.514341
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -18.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -181.585582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.585582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.585582 (E_RNA)
where:
Base-Base interactions energy: -110.566
where: short stacking energy: -60.406
Base-Backbone interact. energy: -0.383
local terms energy: -70.636196
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -10.665
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -20.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -186.592028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.592028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.592028 (E_RNA)
where:
Base-Base interactions energy: -111.936
where: short stacking energy: -61.916
Base-Backbone interact. energy: -0.280
local terms energy: -74.376489
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -19.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -149.185585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.185585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.185585 (E_RNA)
where:
Base-Base interactions energy: -83.028
where: short stacking energy: -46.976
Base-Backbone interact. energy: -0.159
local terms energy: -65.998007
where:
bonds (distance) C4'-P energy: -14.246
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -12.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -126.329588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.329588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.329588 (E_RNA)
where:
Base-Base interactions energy: -72.858
where: short stacking energy: -31.594
Base-Backbone interact. energy: -0.392
local terms energy: -53.080013
where:
bonds (distance) C4'-P energy: -10.120
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -8.556
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -6.769
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: 217
Temperature: 1.200000
Total energy: -88.411592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.411592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.411592 (E_RNA)
where:
Base-Base interactions energy: -37.597
where: short stacking energy: -26.614
Base-Backbone interact. energy: 0.180
local terms energy: -50.994058
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -6.574
tors. eta vs tors. theta energy: -5.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -89.162544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.162544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.162544 (E_RNA)
where:
Base-Base interactions energy: -37.588
where: short stacking energy: -20.245
Base-Backbone interact. energy: -0.666
local terms energy: -50.908321
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -9.070
flat angles P-C4'-P energy: -12.939
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: 9, replica: 1
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -78.475656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.475656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.475656 (E_RNA)
where:
Base-Base interactions energy: -30.987
where: short stacking energy: -26.017
Base-Backbone interact. energy: 0.238
local terms energy: -47.727129
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -9.193
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -3.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -87.096082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.096082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.096082 (E_RNA)
where:
Base-Base interactions energy: -35.850
where: short stacking energy: -26.213
Base-Backbone interact. energy: -0.136
local terms energy: -51.109549
where:
bonds (distance) C4'-P energy: -9.762
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -210.490297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.490297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.490297 (E_RNA)
where:
Base-Base interactions energy: -129.405
where: short stacking energy: -69.883
Base-Backbone interact. energy: -0.707
local terms energy: -80.378363
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -20.034
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: 6
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -182.893261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.893261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.893261 (E_RNA)
where:
Base-Base interactions energy: -113.726
where: short stacking energy: -54.420
Base-Backbone interact. energy: -1.162
local terms energy: -68.005442
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -6.845
tors. eta vs tors. theta energy: -14.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -191.634886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.634886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.634886 (E_RNA)
where:
Base-Base interactions energy: -115.221
where: short stacking energy: -63.427
Base-Backbone interact. energy: -1.021
local terms energy: -75.393628
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -17.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -185.058596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.058596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.058596 (E_RNA)
where:
Base-Base interactions energy: -109.332
where: short stacking energy: -60.393
Base-Backbone interact. energy: 0.199
local terms energy: -75.925940
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -17.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -132.051863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.051863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.051863 (E_RNA)
where:
Base-Base interactions energy: -73.688
where: short stacking energy: -44.030
Base-Backbone interact. energy: 0.384
local terms energy: -58.748624
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -11.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -148.886676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.886676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.886676 (E_RNA)
where:
Base-Base interactions energy: -93.980
where: short stacking energy: -47.310
Base-Backbone interact. energy: -0.210
local terms energy: -54.697276
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -10.982
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -9.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -84.445509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.445509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.445509 (E_RNA)
where:
Base-Base interactions energy: -29.486
where: short stacking energy: -29.486
Base-Backbone interact. energy: -0.052
local terms energy: -54.907234
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -4.764
tors. eta vs tors. theta energy: -4.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -88.215669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.215669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.215669 (E_RNA)
where:
Base-Base interactions energy: -30.907
where: short stacking energy: -27.121
Base-Backbone interact. energy: -0.178
local terms energy: -57.131025
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -2.969
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: 1
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -86.064729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.064729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.064729 (E_RNA)
where:
Base-Base interactions energy: -33.177
where: short stacking energy: -33.177
Base-Backbone interact. energy: -0.084
local terms energy: -52.804092
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -3.619
tors. eta vs tors. theta energy: -7.185
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: 7
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -82.857890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.857890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.857890 (E_RNA)
where:
Base-Base interactions energy: -37.249
where: short stacking energy: -37.249
Base-Backbone interact. energy: -0.254
local terms energy: -45.355630
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -7.025
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -0.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -208.066818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.066818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.066818 (E_RNA)
where:
Base-Base interactions energy: -138.345
where: short stacking energy: -67.262
Base-Backbone interact. energy: -0.165
local terms energy: -69.556204
where:
bonds (distance) C4'-P energy: -8.981
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -16.004
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: 6
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -187.211925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.211925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.211925 (E_RNA)
where:
Base-Base interactions energy: -114.521
where: short stacking energy: -61.891
Base-Backbone interact. energy: -0.002
local terms energy: -72.689196
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -4.171
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: 3, replica: 8
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -176.976330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.976330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.976330 (E_RNA)
where:
Base-Base interactions energy: -115.997
where: short stacking energy: -61.949
Base-Backbone interact. energy: -0.101
local terms energy: -60.877755
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -8.403
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -14.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -161.944148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.944148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.944148 (E_RNA)
where:
Base-Base interactions energy: -95.290
where: short stacking energy: -48.139
Base-Backbone interact. energy: -0.373
local terms energy: -66.281249
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -12.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -145.525801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.525801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.525801 (E_RNA)
where:
Base-Base interactions energy: -82.829
where: short stacking energy: -47.473
Base-Backbone interact. energy: -1.192
local terms energy: -61.504767
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -10.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -135.613520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.613520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.613520 (E_RNA)
where:
Base-Base interactions energy: -84.357
where: short stacking energy: -42.204
Base-Backbone interact. energy: -0.234
local terms energy: -51.022143
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -3.834
tors. eta vs tors. theta energy: -3.872
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: 10
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -80.739076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.739076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.739076 (E_RNA)
where:
Base-Base interactions energy: -25.182
where: short stacking energy: -25.182
Base-Backbone interact. energy: -0.100
local terms energy: -55.457458
where:
bonds (distance) C4'-P energy: -10.460
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -7.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -76.711461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.711461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.711461 (E_RNA)
where:
Base-Base interactions energy: -22.959
where: short stacking energy: -22.777
Base-Backbone interact. energy: -0.109
local terms energy: -53.643401
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -2.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -70.753473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.753473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.753473 (E_RNA)
where:
Base-Base interactions energy: -42.019
where: short stacking energy: -21.213
Base-Backbone interact. energy: -0.257
local terms energy: -28.477397
where:
bonds (distance) C4'-P energy: -6.652
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -10.169
flat angles P-C4'-P energy: -4.547
tors. eta vs tors. theta energy: 5.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -75.563216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.563216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.563216 (E_RNA)
where:
Base-Base interactions energy: -26.535
where: short stacking energy: -27.135
Base-Backbone interact. energy: -0.261
local terms energy: -48.766485
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -2.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -219.858760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.858760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.858760 (E_RNA)
where:
Base-Base interactions energy: -140.191
where: short stacking energy: -66.444
Base-Backbone interact. energy: -0.367
local terms energy: -79.300169
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -18.937
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -17.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -190.378503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.378503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.378503 (E_RNA)
where:
Base-Base interactions energy: -120.901
where: short stacking energy: -63.191
Base-Backbone interact. energy: -0.057
local terms energy: -69.420559
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -4.449
tors. eta vs tors. theta energy: -17.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -185.993369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.993369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.993369 (E_RNA)
where:
Base-Base interactions energy: -110.725
where: short stacking energy: -63.079
Base-Backbone interact. energy: -0.114
local terms energy: -75.154666
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -14.408
tors. eta vs tors. theta energy: -16.968
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: 4, replica: 9
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -159.693422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.693422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.693422 (E_RNA)
where:
Base-Base interactions energy: -90.283
where: short stacking energy: -50.106
Base-Backbone interact. energy: -0.101
local terms energy: -69.310121
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -13.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -156.830988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.830988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.830988 (E_RNA)
where:
Base-Base interactions energy: -95.643
where: short stacking energy: -38.561
Base-Backbone interact. energy: -0.258
local terms energy: -60.929531
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -8.914
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: 6, replica: 4
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -130.724794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.724794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.724794 (E_RNA)
where:
Base-Base interactions energy: -67.953
where: short stacking energy: -35.876
Base-Backbone interact. energy: -0.114
local terms energy: -62.658285
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -11.199
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: 7, replica: 10
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -92.568468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.568468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.568468 (E_RNA)
where:
Base-Base interactions energy: -39.884
where: short stacking energy: -28.879
Base-Backbone interact. energy: 1.249
local terms energy: -53.933527
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -16.267
flat angles C4'-P-C4' energy: -10.805
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -2.478
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: 1
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -84.404291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.404291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.404291 (E_RNA)
where:
Base-Base interactions energy: -35.024
where: short stacking energy: -30.411
Base-Backbone interact. energy: -0.011
local terms energy: -49.368581
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: 3.930
tors. eta vs tors. theta energy: -8.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -72.964131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.964131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.964131 (E_RNA)
where:
Base-Base interactions energy: -23.862
where: short stacking energy: -17.229
Base-Backbone interact. energy: -0.082
local terms energy: -49.020485
where:
bonds (distance) C4'-P energy: -10.358
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -0.725
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: 2
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -84.481080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.481080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.481080 (E_RNA)
where:
Base-Base interactions energy: -28.897
where: short stacking energy: -28.228
Base-Backbone interact. energy: -0.136
local terms energy: -55.448732
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -9.738
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -6.556
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: 221
Temperature: 0.900000
Total energy: -200.186410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.186410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.186410 (E_RNA)
where:
Base-Base interactions energy: -117.307
where: short stacking energy: -66.336
Base-Backbone interact. energy: -0.416
local terms energy: -82.463414
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -19.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -192.267590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.267590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.267590 (E_RNA)
where:
Base-Base interactions energy: -124.775
where: short stacking energy: -62.817
Base-Backbone interact. energy: -1.661
local terms energy: -65.832437
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -14.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -182.846422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.846422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.846422 (E_RNA)
where:
Base-Base interactions energy: -109.849
where: short stacking energy: -62.746
Base-Backbone interact. energy: -0.070
local terms energy: -72.927024
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -18.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -165.305912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.305912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.305912 (E_RNA)
where:
Base-Base interactions energy: -102.490
where: short stacking energy: -47.484
Base-Backbone interact. energy: -0.248
local terms energy: -62.568101
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -8.782
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: 9
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -160.712704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.712704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.712704 (E_RNA)
where:
Base-Base interactions energy: -94.331
where: short stacking energy: -56.777
Base-Backbone interact. energy: -0.080
local terms energy: -66.301407
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -13.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -106.694229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.694229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.694229 (E_RNA)
where:
Base-Base interactions energy: -45.137
where: short stacking energy: -35.031
Base-Backbone interact. energy: -0.043
local terms energy: -61.514675
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -5.374
tors. eta vs tors. theta energy: -11.613
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: 4
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -129.800359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.800359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.800359 (E_RNA)
where:
Base-Base interactions energy: -60.897
where: short stacking energy: -38.938
Base-Backbone interact. energy: -0.094
local terms energy: -68.808914
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -9.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -80.008199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.008199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.008199 (E_RNA)
where:
Base-Base interactions energy: -24.385
where: short stacking energy: -22.616
Base-Backbone interact. energy: -0.027
local terms energy: -55.596472
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -2.698
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: 7
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -79.812005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.812005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.812005 (E_RNA)
where:
Base-Base interactions energy: -27.511
where: short stacking energy: -27.511
Base-Backbone interact. energy: -0.047
local terms energy: -52.254477
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -9.474
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -6.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -75.961689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.961689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.961689 (E_RNA)
where:
Base-Base interactions energy: -34.272
where: short stacking energy: -31.388
Base-Backbone interact. energy: 1.150
local terms energy: -42.839558
where:
bonds (distance) C4'-P energy: -9.347
bonds (distance) P-C4' energy: -7.960
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -2.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -205.570972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.570972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.570972 (E_RNA)
where:
Base-Base interactions energy: -137.587
where: short stacking energy: -65.398
Base-Backbone interact. energy: -0.592
local terms energy: -67.391789
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -15.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -197.164906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.164906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.164906 (E_RNA)
where:
Base-Base interactions energy: -119.919
where: short stacking energy: -61.675
Base-Backbone interact. energy: -0.065
local terms energy: -77.181287
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -22.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -174.697615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.697615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.697615 (E_RNA)
where:
Base-Base interactions energy: -109.422
where: short stacking energy: -56.009
Base-Backbone interact. energy: -0.559
local terms energy: -64.717406
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -5.372
tors. eta vs tors. theta energy: -11.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -171.796269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.796269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.796269 (E_RNA)
where:
Base-Base interactions energy: -107.424
where: short stacking energy: -56.035
Base-Backbone interact. energy: -0.041
local terms energy: -64.331369
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -10.354
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -16.770
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: 9
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -173.670413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.670413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.670413 (E_RNA)
where:
Base-Base interactions energy: -107.075
where: short stacking energy: -59.081
Base-Backbone interact. energy: -0.241
local terms energy: -66.354243
where:
bonds (distance) C4'-P energy: -10.860
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -16.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -139.833820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.833820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.833820 (E_RNA)
where:
Base-Base interactions energy: -80.825
where: short stacking energy: -46.092
Base-Backbone interact. energy: -0.694
local terms energy: -58.315052
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -5.889
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: 7, replica: 1
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -85.842942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.842942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.842942 (E_RNA)
where:
Base-Base interactions energy: -33.077
where: short stacking energy: -29.751
Base-Backbone interact. energy: -0.176
local terms energy: -52.589499
where:
bonds (distance) C4'-P energy: -7.925
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -6.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -82.491181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.491181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.491181 (E_RNA)
where:
Base-Base interactions energy: -30.934
where: short stacking energy: -30.934
Base-Backbone interact. energy: -0.306
local terms energy: -51.251054
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: -2.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -87.026005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.026005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.026005 (E_RNA)
where:
Base-Base interactions energy: -37.074
where: short stacking energy: -21.329
Base-Backbone interact. energy: 0.176
local terms energy: -50.127683
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -5.374
tors. eta vs tors. theta energy: 1.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -80.587577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.587577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.587577 (E_RNA)
where:
Base-Base interactions energy: -37.927
where: short stacking energy: -29.321
Base-Backbone interact. energy: -0.734
local terms energy: -41.927093
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -9.343
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -0.917
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: 5
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -202.814102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.814102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.814102 (E_RNA)
where:
Base-Base interactions energy: -135.153
where: short stacking energy: -67.954
Base-Backbone interact. energy: -0.090
local terms energy: -67.570837
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -18.109
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: 2, replica: 8
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -194.806298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.806298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.806298 (E_RNA)
where:
Base-Base interactions energy: -123.679
where: short stacking energy: -68.124
Base-Backbone interact. energy: -0.204
local terms energy: -70.923421
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -16.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -175.363807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.363807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.363807 (E_RNA)
where:
Base-Base interactions energy: -109.230
where: short stacking energy: -58.906
Base-Backbone interact. energy: -0.016
local terms energy: -66.117999
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -12.379
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -16.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -134.890472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.890472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.890472 (E_RNA)
where:
Base-Base interactions energy: -80.131
where: short stacking energy: -33.174
Base-Backbone interact. energy: -0.527
local terms energy: -54.233165
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -6.466
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -8.123
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: 5, replica: 6
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -165.943570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.943570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.943570 (E_RNA)
where:
Base-Base interactions energy: -103.803
where: short stacking energy: -53.143
Base-Backbone interact. energy: -0.134
local terms energy: -62.006823
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -9.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -140.910131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.910131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.910131 (E_RNA)
where:
Base-Base interactions energy: -86.532
where: short stacking energy: -40.922
Base-Backbone interact. energy: -0.134
local terms energy: -54.243592
where:
bonds (distance) C4'-P energy: -8.519
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -6.904
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: 1
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -92.587710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.587710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.587710 (E_RNA)
where:
Base-Base interactions energy: -43.013
where: short stacking energy: -39.193
Base-Backbone interact. energy: -0.079
local terms energy: -49.496308
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -5.346
tors. eta vs tors. theta energy: -5.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -88.234681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.234681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.234681 (E_RNA)
where:
Base-Base interactions energy: -35.729
where: short stacking energy: -30.827
Base-Backbone interact. energy: -0.211
local terms energy: -52.294172
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -6.332
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: 9, replica: 4
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -77.186249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.186249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.186249 (E_RNA)
where:
Base-Base interactions energy: -25.387
where: short stacking energy: -14.473
Base-Backbone interact. energy: -0.061
local terms energy: -51.738820
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: 0.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -77.847717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.847717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.847717 (E_RNA)
where:
Base-Base interactions energy: -27.254
where: short stacking energy: -23.014
Base-Backbone interact. energy: -0.339
local terms energy: -50.254168
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: -2.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -198.765394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.765394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.765394 (E_RNA)
where:
Base-Base interactions energy: -123.369
where: short stacking energy: -65.496
Base-Backbone interact. energy: 0.014
local terms energy: -75.409986
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -20.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -190.230296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.230296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.230296 (E_RNA)
where:
Base-Base interactions energy: -118.227
where: short stacking energy: -60.467
Base-Backbone interact. energy: -0.815
local terms energy: -71.188700
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -10.187
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -14.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -167.269194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.269194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.269194 (E_RNA)
where:
Base-Base interactions energy: -102.278
where: short stacking energy: -55.730
Base-Backbone interact. energy: -0.373
local terms energy: -64.618997
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -10.459
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: 4, replica: 9
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -186.976672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.976672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.976672 (E_RNA)
where:
Base-Base interactions energy: -115.481
where: short stacking energy: -60.756
Base-Backbone interact. energy: -0.118
local terms energy: -71.376883
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -18.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -153.117055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.117055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.117055 (E_RNA)
where:
Base-Base interactions energy: -91.089
where: short stacking energy: -45.333
Base-Backbone interact. energy: -0.184
local terms energy: -61.844451
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: -13.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -165.267134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.267134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.267134 (E_RNA)
where:
Base-Base interactions energy: -102.821
where: short stacking energy: -46.455
Base-Backbone interact. energy: 0.229
local terms energy: -62.675353
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -9.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -91.587603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.587603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.587603 (E_RNA)
where:
Base-Base interactions energy: -35.031
where: short stacking energy: -34.721
Base-Backbone interact. energy: -0.062
local terms energy: -56.495445
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -9.167
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: 8, replica: 1
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -84.255049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.255049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.255049 (E_RNA)
where:
Base-Base interactions energy: -35.638
where: short stacking energy: -30.784
Base-Backbone interact. energy: -0.465
local terms energy: -48.151927
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -11.245
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -4.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -85.405580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.405580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.405580 (E_RNA)
where:
Base-Base interactions energy: -35.194
where: short stacking energy: -32.580
Base-Backbone interact. energy: -0.045
local terms energy: -50.167034
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -12.089
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -4.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -88.823106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.823106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.823106 (E_RNA)
where:
Base-Base interactions energy: -47.961
where: short stacking energy: -18.724
Base-Backbone interact. energy: 0.524
local terms energy: -41.386265
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -9.412
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: -0.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -188.798306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.798306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.798306 (E_RNA)
where:
Base-Base interactions energy: -112.034
where: short stacking energy: -62.437
Base-Backbone interact. energy: -0.147
local terms energy: -76.617571
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -16.349
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: 5
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -195.105055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.105055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.105055 (E_RNA)
where:
Base-Base interactions energy: -125.537
where: short stacking energy: -59.959
Base-Backbone interact. energy: -0.818
local terms energy: -68.750549
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -13.530
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: 3
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -170.895034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.895034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.895034 (E_RNA)
where:
Base-Base interactions energy: -102.640
where: short stacking energy: -52.037
Base-Backbone interact. energy: -0.080
local terms energy: -68.174960
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -14.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -160.801348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.801348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.801348 (E_RNA)
where:
Base-Base interactions energy: -92.565
where: short stacking energy: -42.863
Base-Backbone interact. energy: -1.239
local terms energy: -66.996772
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -12.866
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: 9
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -163.676508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.676508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.676508 (E_RNA)
where:
Base-Base interactions energy: -104.067
where: short stacking energy: -51.027
Base-Backbone interact. energy: -0.109
local terms energy: -59.500841
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -8.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -153.677130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.677130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.677130 (E_RNA)
where:
Base-Base interactions energy: -89.751
where: short stacking energy: -45.861
Base-Backbone interact. energy: -0.084
local terms energy: -63.842894
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -10.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -90.114807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.114807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.114807 (E_RNA)
where:
Base-Base interactions energy: -35.698
where: short stacking energy: -25.710
Base-Backbone interact. energy: -1.001
local terms energy: -53.416153
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -2.371
tors. eta vs tors. theta energy: -7.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -87.453505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.453505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.453505 (E_RNA)
where:
Base-Base interactions energy: -32.807
where: short stacking energy: -27.832
Base-Backbone interact. energy: 0.141
local terms energy: -54.787420
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -6.225
tors. eta vs tors. theta energy: 0.564
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: 1
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -86.327443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.327443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.327443 (E_RNA)
where:
Base-Base interactions energy: -29.875
where: short stacking energy: -26.932
Base-Backbone interact. energy: -0.145
local terms energy: -56.307230
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -6.647
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: 10, replica: 7
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -137.809397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.809397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.809397 (E_RNA)
where:
Base-Base interactions energy: -79.168
where: short stacking energy: -40.182
Base-Backbone interact. energy: -0.041
local terms energy: -58.600912
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -4.279
tors. eta vs tors. theta energy: -10.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -201.484553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.484553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.484553 (E_RNA)
where:
Base-Base interactions energy: -122.698
where: short stacking energy: -69.999
Base-Backbone interact. energy: -0.904
local terms energy: -77.883120
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -18.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -196.468061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.468061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.468061 (E_RNA)
where:
Base-Base interactions energy: -119.747
where: short stacking energy: -65.714
Base-Backbone interact. energy: -0.297
local terms energy: -76.424887
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -16.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -175.611876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.611876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.611876 (E_RNA)
where:
Base-Base interactions energy: -107.306
where: short stacking energy: -62.994
Base-Backbone interact. energy: -0.925
local terms energy: -67.380441
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -13.418
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: 6
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -172.769922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.769922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.769922 (E_RNA)
where:
Base-Base interactions energy: -104.148
where: short stacking energy: -52.795
Base-Backbone interact. energy: -0.275
local terms energy: -68.347301
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -16.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -161.735994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.735994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.735994 (E_RNA)
where:
Base-Base interactions energy: -92.259
where: short stacking energy: -60.119
Base-Backbone interact. energy: -0.101
local terms energy: -69.376659
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -16.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -178.026834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.026834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.026834 (E_RNA)
where:
Base-Base interactions energy: -104.615
where: short stacking energy: -53.344
Base-Backbone interact. energy: -0.909
local terms energy: -72.502945
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -20.224
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: 7, replica: 4
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -90.041348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.041348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.041348 (E_RNA)
where:
Base-Base interactions energy: -34.756
where: short stacking energy: -34.756
Base-Backbone interact. energy: -0.164
local terms energy: -55.120715
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -9.700
flat angles C4'-P-C4' energy: -11.155
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -12.480
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: 8, replica: 2
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -86.732743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.732743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.732743 (E_RNA)
where:
Base-Base interactions energy: -32.631
where: short stacking energy: -32.631
Base-Backbone interact. energy: -0.117
local terms energy: -53.984980
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -3.705
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: 1
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -92.969870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.969870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.969870 (E_RNA)
where:
Base-Base interactions energy: -43.875
where: short stacking energy: -31.866
Base-Backbone interact. energy: -0.236
local terms energy: -48.858424
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: 1.931
tors. eta vs tors. theta energy: -7.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -82.190979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.190979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.190979 (E_RNA)
where:
Base-Base interactions energy: -33.639
where: short stacking energy: -30.660
Base-Backbone interact. energy: -0.273
local terms energy: -48.278974
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -4.813
tors. eta vs tors. theta energy: -4.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -203.580509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.580509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.580509 (E_RNA)
where:
Base-Base interactions energy: -137.545
where: short stacking energy: -63.528
Base-Backbone interact. energy: 0.815
local terms energy: -66.850885
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -13.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -196.557637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.557637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.557637 (E_RNA)
where:
Base-Base interactions energy: -123.429
where: short stacking energy: -63.212
Base-Backbone interact. energy: -0.241
local terms energy: -72.887395
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -18.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -166.346637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.346637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.346637 (E_RNA)
where:
Base-Base interactions energy: -95.454
where: short stacking energy: -50.807
Base-Backbone interact. energy: -0.076
local terms energy: -70.817056
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -11.587
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: 10
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -174.313023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.313023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.313023 (E_RNA)
where:
Base-Base interactions energy: -117.463
where: short stacking energy: -60.721
Base-Backbone interact. energy: -0.576
local terms energy: -56.273371
where:
bonds (distance) C4'-P energy: -8.261
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -3.656
tors. eta vs tors. theta energy: -16.324
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: 5, replica: 6
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -168.115071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.115071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.115071 (E_RNA)
where:
Base-Base interactions energy: -103.077
where: short stacking energy: -54.271
Base-Backbone interact. energy: -0.005
local terms energy: -65.033382
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -7.500
tors. eta vs tors. theta energy: -12.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -174.914379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.914379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.914379 (E_RNA)
where:
Base-Base interactions energy: -111.408
where: short stacking energy: -59.802
Base-Backbone interact. energy: -0.000
local terms energy: -63.506407
where:
bonds (distance) C4'-P energy: -9.442
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -16.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -98.032096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.032096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.032096 (E_RNA)
where:
Base-Base interactions energy: -51.460
where: short stacking energy: -19.130
Base-Backbone interact. energy: 0.684
local terms energy: -47.255954
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -9.595
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -85.715119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.715119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.715119 (E_RNA)
where:
Base-Base interactions energy: -25.194
where: short stacking energy: -25.194
Base-Backbone interact. energy: -0.008
local terms energy: -60.514031
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -5.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -90.596081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.596081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.596081 (E_RNA)
where:
Base-Base interactions energy: -37.662
where: short stacking energy: -35.501
Base-Backbone interact. energy: -0.932
local terms energy: -52.001658
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -4.899
tors. eta vs tors. theta energy: -3.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -85.166952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.166952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.166952 (E_RNA)
where:
Base-Base interactions energy: -32.590
where: short stacking energy: -28.016
Base-Backbone interact. energy: -1.100
local terms energy: -51.476915
where:
bonds (distance) C4'-P energy: -9.039
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -4.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -195.923508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.923508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.923508 (E_RNA)
where:
Base-Base interactions energy: -115.471
where: short stacking energy: -69.649
Base-Backbone interact. energy: -0.292
local terms energy: -80.160105
where:
bonds (distance) C4'-P energy: -18.325
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -20.343
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: 8
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -188.193381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.193381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.193381 (E_RNA)
where:
Base-Base interactions energy: -121.657
where: short stacking energy: -55.330
Base-Backbone interact. energy: -0.429
local terms energy: -66.106771
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -15.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -187.715598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.715598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.715598 (E_RNA)
where:
Base-Base interactions energy: -110.847
where: short stacking energy: -63.820
Base-Backbone interact. energy: -2.976
local terms energy: -73.892702
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -18.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -180.438559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.438559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.438559 (E_RNA)
where:
Base-Base interactions energy: -109.302
where: short stacking energy: -61.214
Base-Backbone interact. energy: 0.252
local terms energy: -71.388263
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -13.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -166.154366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.154366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.154366 (E_RNA)
where:
Base-Base interactions energy: -98.922
where: short stacking energy: -42.155
Base-Backbone interact. energy: -0.863
local terms energy: -66.369437
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -13.421
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: 9
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -133.034834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.034834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.034834 (E_RNA)
where:
Base-Base interactions energy: -79.621
where: short stacking energy: -45.240
Base-Backbone interact. energy: -0.146
local terms energy: -53.268072
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -5.728
tors. eta vs tors. theta energy: -8.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -76.108016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.108016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.108016 (E_RNA)
where:
Base-Base interactions energy: -29.277
where: short stacking energy: -27.033
Base-Backbone interact. energy: -1.827
local terms energy: -45.004777
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -8.694
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: 0.370
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: 2
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -78.373034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.373034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.373034 (E_RNA)
where:
Base-Base interactions energy: -27.539
where: short stacking energy: -27.539
Base-Backbone interact. energy: -0.128
local terms energy: -50.706312
where:
bonds (distance) C4'-P energy: -10.218
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -7.933
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: 9, replica: 7
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -81.087382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.087382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.087382 (E_RNA)
where:
Base-Base interactions energy: -30.702
where: short stacking energy: -25.330
Base-Backbone interact. energy: -1.021
local terms energy: -49.364503
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -9.580
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: -2.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -83.380203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.380203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.380203 (E_RNA)
where:
Base-Base interactions energy: -37.281
where: short stacking energy: -20.787
Base-Backbone interact. energy: -0.227
local terms energy: -45.871977
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -3.045
tors. eta vs tors. theta energy: -2.378
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: 1, replica: 5
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -200.097844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.097844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.097844 (E_RNA)
where:
Base-Base interactions energy: -121.269
where: short stacking energy: -72.816
Base-Backbone interact. energy: -0.046
local terms energy: -78.782833
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -14.029
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: 2, replica: 8
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -203.950230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.950230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.950230 (E_RNA)
where:
Base-Base interactions energy: -128.728
where: short stacking energy: -62.156
Base-Backbone interact. energy: -1.063
local terms energy: -74.159014
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -19.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -171.785798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.785798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.785798 (E_RNA)
where:
Base-Base interactions energy: -101.982
where: short stacking energy: -45.886
Base-Backbone interact. energy: -0.738
local terms energy: -69.065852
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -12.707
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: 3
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -182.665625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.665625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.665625 (E_RNA)
where:
Base-Base interactions energy: -109.490
where: short stacking energy: -56.909
Base-Backbone interact. energy: -0.001
local terms energy: -73.174331
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -18.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -171.791474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.791474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.791474 (E_RNA)
where:
Base-Base interactions energy: -101.683
where: short stacking energy: -50.721
Base-Backbone interact. energy: -0.905
local terms energy: -69.203193
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -11.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -160.736721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.736721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.736721 (E_RNA)
where:
Base-Base interactions energy: -101.067
where: short stacking energy: -44.237
Base-Backbone interact. energy: 0.792
local terms energy: -60.461956
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -4.919
tors. eta vs tors. theta energy: -12.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -80.371116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.371116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.371116 (E_RNA)
where:
Base-Base interactions energy: -26.029
where: short stacking energy: -24.674
Base-Backbone interact. energy: -0.843
local terms energy: -53.499614
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: 0.811
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: 7
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -82.773760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.773760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.773760 (E_RNA)
where:
Base-Base interactions energy: -34.074
where: short stacking energy: -33.582
Base-Backbone interact. energy: -0.101
local terms energy: -48.599060
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -9.285
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -5.943
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: 2
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -86.460254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.460254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.460254 (E_RNA)
where:
Base-Base interactions energy: -29.558
where: short stacking energy: -29.412
Base-Backbone interact. energy: -0.078
local terms energy: -56.824043
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -7.700
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: 1
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -91.511057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.511057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.511057 (E_RNA)
where:
Base-Base interactions energy: -39.221
where: short stacking energy: -22.388
Base-Backbone interact. energy: -0.879
local terms energy: -51.411127
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -2.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -209.075015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.075015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.075015 (E_RNA)
where:
Base-Base interactions energy: -134.145
where: short stacking energy: -60.290
Base-Backbone interact. energy: -1.343
local terms energy: -73.586609
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -16.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -191.209332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.209332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.209332 (E_RNA)
where:
Base-Base interactions energy: -115.581
where: short stacking energy: -64.086
Base-Backbone interact. energy: -0.006
local terms energy: -75.622698
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -20.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -187.924393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.924393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.924393 (E_RNA)
where:
Base-Base interactions energy: -116.750
where: short stacking energy: -61.327
Base-Backbone interact. energy: -0.068
local terms energy: -71.106325
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -17.648
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -5.077
tors. eta vs tors. theta energy: -16.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -182.026873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.026873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.026873 (E_RNA)
where:
Base-Base interactions energy: -109.732
where: short stacking energy: -63.348
Base-Backbone interact. energy: -0.119
local terms energy: -72.175666
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -15.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -161.805469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.805469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.805469 (E_RNA)
where:
Base-Base interactions energy: -87.606
where: short stacking energy: -55.193
Base-Backbone interact. energy: -1.130
local terms energy: -73.069467
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -15.201
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: 6
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -155.742429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.742429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.742429 (E_RNA)
where:
Base-Base interactions energy: -98.064
where: short stacking energy: -50.271
Base-Backbone interact. energy: -0.153
local terms energy: -57.525490
where:
bonds (distance) C4'-P energy: -11.873
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -6.925
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -13.935
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: 7, replica: 7
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -86.749582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.749582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.749582 (E_RNA)
where:
Base-Base interactions energy: -33.878
where: short stacking energy: -28.756
Base-Backbone interact. energy: -0.096
local terms energy: -52.775059
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -2.370
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: 4
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -81.125385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.125385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.125385 (E_RNA)
where:
Base-Base interactions energy: -30.668
where: short stacking energy: -30.668
Base-Backbone interact. energy: -1.131
local terms energy: -49.326722
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: -3.359
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: 1
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -79.672803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.672803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.672803 (E_RNA)
where:
Base-Base interactions energy: -26.020
where: short stacking energy: -22.888
Base-Backbone interact. energy: -0.123
local terms energy: -53.529700
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -2.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -81.848046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.848046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.848046 (E_RNA)
where:
Base-Base interactions energy: -26.148
where: short stacking energy: -26.148
Base-Backbone interact. energy: -0.002
local terms energy: -55.698058
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -9.581
flat angles P-C4'-P energy: -10.672
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: 1, replica: 8
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -203.959304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.959304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.959304 (E_RNA)
where:
Base-Base interactions energy: -133.233
where: short stacking energy: -62.667
Base-Backbone interact. energy: -0.170
local terms energy: -70.556528
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -16.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -180.655764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.655764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.655764 (E_RNA)
where:
Base-Base interactions energy: -110.034
where: short stacking energy: -59.047
Base-Backbone interact. energy: -0.005
local terms energy: -70.617099
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -15.774
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: 5
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -196.651636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.651636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.651636 (E_RNA)
where:
Base-Base interactions energy: -123.382
where: short stacking energy: -66.572
Base-Backbone interact. energy: -0.000
local terms energy: -73.268884
where:
bonds (distance) C4'-P energy: -8.058
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -20.692
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: 10
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -160.419257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.419257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.419257 (E_RNA)
where:
Base-Base interactions energy: -94.797
where: short stacking energy: -51.041
Base-Backbone interact. energy: -0.022
local terms energy: -65.600236
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -6.432
tors. eta vs tors. theta energy: -12.048
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: 9
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -151.401745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.401745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.401745 (E_RNA)
where:
Base-Base interactions energy: -98.644
where: short stacking energy: -42.212
Base-Backbone interact. energy: -0.360
local terms energy: -52.397857
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -11.173
flat angles P-C4'-P energy: -4.839
tors. eta vs tors. theta energy: -8.728
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: 6
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -161.711386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.711386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.711386 (E_RNA)
where:
Base-Base interactions energy: -100.093
where: short stacking energy: -51.731
Base-Backbone interact. energy: -0.047
local terms energy: -61.572004
where:
bonds (distance) C4'-P energy: -9.307
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -10.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -104.736877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.736877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.736877 (E_RNA)
where:
Base-Base interactions energy: -41.990
where: short stacking energy: -28.193
Base-Backbone interact. energy: -0.086
local terms energy: -62.660727
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -4.508
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: 4
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -87.291282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.291282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.291282 (E_RNA)
where:
Base-Base interactions energy: -39.406
where: short stacking energy: -34.094
Base-Backbone interact. energy: -0.151
local terms energy: -47.734511
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -7.095
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -1.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -87.072113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.072113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.072113 (E_RNA)
where:
Base-Base interactions energy: -37.769
where: short stacking energy: -28.831
Base-Backbone interact. energy: -0.019
local terms energy: -49.283466
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -4.158
tors. eta vs tors. theta energy: -7.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -78.088194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.088194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.088194 (E_RNA)
where:
Base-Base interactions energy: -22.653
where: short stacking energy: -20.330
Base-Backbone interact. energy: -0.084
local terms energy: -55.351745
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -7.111
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: 8
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -208.659622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.659622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.659622 (E_RNA)
where:
Base-Base interactions energy: -133.552
where: short stacking energy: -57.955
Base-Backbone interact. energy: -0.814
local terms energy: -74.293434
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -17.610
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: 3
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -176.928944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.928944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.928944 (E_RNA)
where:
Base-Base interactions energy: -105.388
where: short stacking energy: -57.211
Base-Backbone interact. energy: 0.424
local terms energy: -71.964538
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -13.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -192.757906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.757906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.757906 (E_RNA)
where:
Base-Base interactions energy: -116.834
where: short stacking energy: -68.030
Base-Backbone interact. energy: -0.414
local terms energy: -75.509806
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -20.115
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: 4, replica: 10
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -168.922483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.922483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.922483 (E_RNA)
where:
Base-Base interactions energy: -99.816
where: short stacking energy: -50.235
Base-Backbone interact. energy: -0.516
local terms energy: -68.590170
where:
bonds (distance) C4'-P energy: -17.733
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -11.662
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: 6
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -165.361305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.361305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.361305 (E_RNA)
where:
Base-Base interactions energy: -103.333
where: short stacking energy: -52.749
Base-Backbone interact. energy: 0.374
local terms energy: -62.403119
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -8.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -153.477174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.477174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.477174 (E_RNA)
where:
Base-Base interactions energy: -92.549
where: short stacking energy: -50.899
Base-Backbone interact. energy: -0.431
local terms energy: -60.496974
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -12.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -89.249189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.249189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.249189 (E_RNA)
where:
Base-Base interactions energy: -36.138
where: short stacking energy: -36.138
Base-Backbone interact. energy: -0.029
local terms energy: -53.082555
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -5.725
tors. eta vs tors. theta energy: -9.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -79.856374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.856374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.856374 (E_RNA)
where:
Base-Base interactions energy: -36.230
where: short stacking energy: -33.150
Base-Backbone interact. energy: -0.150
local terms energy: -43.476554
where:
bonds (distance) C4'-P energy: -10.459
bonds (distance) P-C4' energy: -10.302
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -10.179
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: 9, replica: 2
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -83.120068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.120068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.120068 (E_RNA)
where:
Base-Base interactions energy: -39.863
where: short stacking energy: -39.020
Base-Backbone interact. energy: -0.150
local terms energy: -43.107302
where:
bonds (distance) C4'-P energy: -8.546
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -1.015
tors. eta vs tors. theta energy: -7.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -75.699124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.699124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.699124 (E_RNA)
where:
Base-Base interactions energy: -32.628
where: short stacking energy: -32.628
Base-Backbone interact. energy: -0.255
local terms energy: -42.816718
where:
bonds (distance) C4'-P energy: -9.826
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -7.415
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: -2.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -215.382257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.382257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.382257 (E_RNA)
where:
Base-Base interactions energy: -138.874
where: short stacking energy: -71.004
Base-Backbone interact. energy: -0.138
local terms energy: -76.370368
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -19.651
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: 2, replica: 5
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -184.777892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.777892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.777892 (E_RNA)
where:
Base-Base interactions energy: -115.052
where: short stacking energy: -62.093
Base-Backbone interact. energy: -0.002
local terms energy: -69.723185
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: -16.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -170.176647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.176647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.176647 (E_RNA)
where:
Base-Base interactions energy: -100.311
where: short stacking energy: -53.278
Base-Backbone interact. energy: -0.172
local terms energy: -69.694252
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -12.187
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: 4, replica: 6
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -163.483822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.483822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.483822 (E_RNA)
where:
Base-Base interactions energy: -93.251
where: short stacking energy: -51.493
Base-Backbone interact. energy: -0.016
local terms energy: -70.216506
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -14.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -150.114038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.114038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.114038 (E_RNA)
where:
Base-Base interactions energy: -91.022
where: short stacking energy: -41.939
Base-Backbone interact. energy: -0.094
local terms energy: -58.998117
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -7.940
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: 9
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -153.416099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.416099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.416099 (E_RNA)
where:
Base-Base interactions energy: -92.756
where: short stacking energy: -52.047
Base-Backbone interact. energy: -0.080
local terms energy: -60.579973
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -11.574
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -13.885
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: 4
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -91.291142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.291142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.291142 (E_RNA)
where:
Base-Base interactions energy: -40.629
where: short stacking energy: -35.088
Base-Backbone interact. energy: -0.226
local terms energy: -50.436330
where:
bonds (distance) C4'-P energy: -9.781
bonds (distance) P-C4' energy: -9.200
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -5.351
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: 8, replica: 2
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -83.869256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.869256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.869256 (E_RNA)
where:
Base-Base interactions energy: -32.579
where: short stacking energy: -29.359
Base-Backbone interact. energy: -0.282
local terms energy: -51.007853
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -6.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -83.026554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.026554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.026554 (E_RNA)
where:
Base-Base interactions energy: -36.640
where: short stacking energy: -24.624
Base-Backbone interact. energy: -0.098
local terms energy: -46.288938
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -2.891
tors. eta vs tors. theta energy: -3.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -70.280125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.280125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.280125 (E_RNA)
where:
Base-Base interactions energy: -21.815
where: short stacking energy: -21.815
Base-Backbone interact. energy: -0.166
local terms energy: -48.299021
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -12.444
flat angles C4'-P-C4' energy: -10.451
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -1.576
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: 5
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -200.344843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.344843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.344843 (E_RNA)
where:
Base-Base interactions energy: -117.589
where: short stacking energy: -67.866
Base-Backbone interact. energy: -0.087
local terms energy: -82.668771
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -22.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -205.806929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.806929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.806929 (E_RNA)
where:
Base-Base interactions energy: -132.289
where: short stacking energy: -60.976
Base-Backbone interact. energy: 0.171
local terms energy: -73.689218
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -16.334
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: 3, replica: 6
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -169.658514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.658514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.658514 (E_RNA)
where:
Base-Base interactions energy: -100.543
where: short stacking energy: -48.892
Base-Backbone interact. energy: -0.002
local terms energy: -69.113723
where:
bonds (distance) C4'-P energy: -10.057
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -14.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -164.527004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.527004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.527004 (E_RNA)
where:
Base-Base interactions energy: -99.523
where: short stacking energy: -53.527
Base-Backbone interact. energy: -0.017
local terms energy: -64.986740
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -11.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -167.176350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.176350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.176350 (E_RNA)
where:
Base-Base interactions energy: -105.682
where: short stacking energy: -47.010
Base-Backbone interact. energy: -0.714
local terms energy: -60.780340
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -12.985
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: 10
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -159.369587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.369587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.369587 (E_RNA)
where:
Base-Base interactions energy: -92.422
where: short stacking energy: -46.558
Base-Backbone interact. energy: -0.119
local terms energy: -66.828908
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -11.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -96.866540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.866540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.866540 (E_RNA)
where:
Base-Base interactions energy: -41.851
where: short stacking energy: -41.851
Base-Backbone interact. energy: -0.260
local terms energy: -54.755612
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -8.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -97.202505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.202505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.202505 (E_RNA)
where:
Base-Base interactions energy: -40.004
where: short stacking energy: -40.004
Base-Backbone interact. energy: -0.131
local terms energy: -57.067520
where:
bonds (distance) C4'-P energy: -6.754
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -9.270
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: 1
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -73.763819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.763819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.763819 (E_RNA)
where:
Base-Base interactions energy: -26.891
where: short stacking energy: -23.491
Base-Backbone interact. energy: 6.552
local terms energy: -53.424558
where:
bonds (distance) C4'-P energy: -9.723
bonds (distance) P-C4' energy: -16.211
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -5.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -103.718475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.718475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.718475 (E_RNA)
where:
Base-Base interactions energy: -58.438
where: short stacking energy: -23.939
Base-Backbone interact. energy: 0.985
local terms energy: -46.265646
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -11.147
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: -2.706
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: 5
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -201.110153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.110153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.110153 (E_RNA)
where:
Base-Base interactions energy: -122.119
where: short stacking energy: -61.963
Base-Backbone interact. energy: -0.001
local terms energy: -78.989791
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -18.653
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: 6
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -181.531834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.531834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.531834 (E_RNA)
where:
Base-Base interactions energy: -108.315
where: short stacking energy: -61.778
Base-Backbone interact. energy: -0.080
local terms energy: -73.136821
where:
bonds (distance) C4'-P energy: -13.153
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -16.945
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: 3, replica: 8
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -184.699946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.699946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.699946 (E_RNA)
where:
Base-Base interactions energy: -113.296
where: short stacking energy: -62.794
Base-Backbone interact. energy: 3.493
local terms energy: -74.896754
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -16.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -160.921600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.921600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.921600 (E_RNA)
where:
Base-Base interactions energy: -96.575
where: short stacking energy: -51.558
Base-Backbone interact. energy: -0.496
local terms energy: -63.850439
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -12.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -153.177918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.177918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.177918 (E_RNA)
where:
Base-Base interactions energy: -87.806
where: short stacking energy: -41.397
Base-Backbone interact. energy: -0.096
local terms energy: -65.276710
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -11.284
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: 6, replica: 10
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -147.494995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.494995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.494995 (E_RNA)
where:
Base-Base interactions energy: -87.594
where: short stacking energy: -39.895
Base-Backbone interact. energy: -0.291
local terms energy: -59.609738
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -10.849
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: 7, replica: 2
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -87.094410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.094410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.094410 (E_RNA)
where:
Base-Base interactions energy: -41.080
where: short stacking energy: -24.479
Base-Backbone interact. energy: -0.229
local terms energy: -45.785643
where:
bonds (distance) C4'-P energy: -10.140
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -10.595
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -2.046
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: 4
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -80.656204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.656204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.656204 (E_RNA)
where:
Base-Base interactions energy: -32.667
where: short stacking energy: -32.634
Base-Backbone interact. energy: -0.161
local terms energy: -47.827578
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -10.948
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -70.665618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.665618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.665618 (E_RNA)
where:
Base-Base interactions energy: -22.318
where: short stacking energy: -18.237
Base-Backbone interact. energy: -1.035
local terms energy: -47.313096
where:
bonds (distance) C4'-P energy: -8.766
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -9.658
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -5.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -91.316879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.316879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.316879 (E_RNA)
where:
Base-Base interactions energy: -44.982
where: short stacking energy: -19.095
Base-Backbone interact. energy: 1.388
local terms energy: -47.722851
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -9.181
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -1.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -198.388433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.388433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.388433 (E_RNA)
where:
Base-Base interactions energy: -120.377
where: short stacking energy: -68.072
Base-Backbone interact. energy: -0.000
local terms energy: -78.010870
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -20.678
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: 5
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -184.351209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.351209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.351209 (E_RNA)
where:
Base-Base interactions energy: -115.730
where: short stacking energy: -59.291
Base-Backbone interact. energy: -0.056
local terms energy: -68.564408
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -16.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -188.366816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.366816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.366816 (E_RNA)
where:
Base-Base interactions energy: -109.107
where: short stacking energy: -67.899
Base-Backbone interact. energy: -0.125
local terms energy: -79.134627
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -21.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -164.432125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.432125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.432125 (E_RNA)
where:
Base-Base interactions energy: -95.966
where: short stacking energy: -49.676
Base-Backbone interact. energy: -0.097
local terms energy: -68.369797
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -14.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -168.213860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.213860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.213860 (E_RNA)
where:
Base-Base interactions energy: -108.989
where: short stacking energy: -44.071
Base-Backbone interact. energy: -0.471
local terms energy: -58.753774
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -6.961
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -8.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -149.325157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.325157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.325157 (E_RNA)
where:
Base-Base interactions energy: -89.250
where: short stacking energy: -49.101
Base-Backbone interact. energy: -0.083
local terms energy: -59.992981
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -9.457
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -13.355
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: 7, replica: 4
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -85.730838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.730838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.730838 (E_RNA)
where:
Base-Base interactions energy: -38.578
where: short stacking energy: -31.825
Base-Backbone interact. energy: -0.164
local terms energy: -46.988802
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -6.919
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: -0.179
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: 2
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -91.585970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.585970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.585970 (E_RNA)
where:
Base-Base interactions energy: -44.211
where: short stacking energy: -44.211
Base-Backbone interact. energy: -0.088
local terms energy: -47.287365
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -6.625
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -5.900
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: 9, replica: 7
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -79.522664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.522664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.522664 (E_RNA)
where:
Base-Base interactions energy: -33.402
where: short stacking energy: -29.195
Base-Backbone interact. energy: -0.061
local terms energy: -46.059375
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -12.016
flat angles P-C4'-P energy: -2.431
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: 10, replica: 1
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -81.879696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.879696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.879696 (E_RNA)
where:
Base-Base interactions energy: -33.172
where: short stacking energy: -27.389
Base-Backbone interact. energy: -0.186
local terms energy: -48.521019
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -0.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -190.469129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.469129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.469129 (E_RNA)
where:
Base-Base interactions energy: -114.178
where: short stacking energy: -63.996
Base-Backbone interact. energy: -0.058
local terms energy: -76.233071
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -21.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -196.559473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.559473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.559473 (E_RNA)
where:
Base-Base interactions energy: -115.220
where: short stacking energy: -64.646
Base-Backbone interact. energy: -0.917
local terms energy: -80.423140
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -22.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -193.635663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.635663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.635663 (E_RNA)
where:
Base-Base interactions energy: -123.082
where: short stacking energy: -69.485
Base-Backbone interact. energy: -0.015
local terms energy: -70.538215
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -17.923
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: 4, replica: 10
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -170.873951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.873951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.873951 (E_RNA)
where:
Base-Base interactions energy: -105.935
where: short stacking energy: -54.259
Base-Backbone interact. energy: -0.002
local terms energy: -64.937255
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -12.888
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: 9
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -167.228428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.228428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.228428 (E_RNA)
where:
Base-Base interactions energy: -97.596
where: short stacking energy: -50.797
Base-Backbone interact. energy: -0.101
local terms energy: -69.530627
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -7.207
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: 6, replica: 3
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -131.304472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.304472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.304472 (E_RNA)
where:
Base-Base interactions energy: -77.433
where: short stacking energy: -37.609
Base-Backbone interact. energy: -0.276
local terms energy: -53.595457
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -17.898
flat angles C4'-P-C4' energy: -10.139
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -4.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -103.548254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.548254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.548254 (E_RNA)
where:
Base-Base interactions energy: -59.293
where: short stacking energy: -18.607
Base-Backbone interact. energy: -0.366
local terms energy: -43.889831
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -3.213
tors. eta vs tors. theta energy: 1.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -84.712085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.712085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.712085 (E_RNA)
where:
Base-Base interactions energy: -29.391
where: short stacking energy: -28.592
Base-Backbone interact. energy: -0.345
local terms energy: -54.975854
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: -7.792
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: 2
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -79.092504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.092504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.092504 (E_RNA)
where:
Base-Base interactions energy: -29.933
where: short stacking energy: -29.933
Base-Backbone interact. energy: -0.938
local terms energy: -48.221096
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -5.093
tors. eta vs tors. theta energy: -3.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -80.133641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.133641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.133641 (E_RNA)
where:
Base-Base interactions energy: -27.323
where: short stacking energy: -27.323
Base-Backbone interact. energy: -0.102
local terms energy: -52.708381
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -4.101
tors. eta vs tors. theta energy: -10.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -200.833972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.833972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.833972 (E_RNA)
where:
Base-Base interactions energy: -124.623
where: short stacking energy: -73.244
Base-Backbone interact. energy: -0.005
local terms energy: -76.205651
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -21.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -171.519573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.519573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.519573 (E_RNA)
where:
Base-Base interactions energy: -110.175
where: short stacking energy: -51.793
Base-Backbone interact. energy: -1.109
local terms energy: -60.234639
where:
bonds (distance) C4'-P energy: -4.624
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -14.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -175.985065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.985065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.985065 (E_RNA)
where:
Base-Base interactions energy: -104.665
where: short stacking energy: -46.826
Base-Backbone interact. energy: -0.397
local terms energy: -70.923553
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -3.033
tors. eta vs tors. theta energy: -20.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -186.542697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.542697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.542697 (E_RNA)
where:
Base-Base interactions energy: -112.067
where: short stacking energy: -54.954
Base-Backbone interact. energy: -0.003
local terms energy: -74.472872
where:
bonds (distance) C4'-P energy: -9.482
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -17.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -168.376585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.376585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.376585 (E_RNA)
where:
Base-Base interactions energy: -108.487
where: short stacking energy: -57.542
Base-Backbone interact. energy: -0.103
local terms energy: -59.786359
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -11.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -141.832370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.832370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.832370 (E_RNA)
where:
Base-Base interactions energy: -81.405
where: short stacking energy: -48.087
Base-Backbone interact. energy: -0.181
local terms energy: -60.246385
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -6.572
tors. eta vs tors. theta energy: -5.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -82.558309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.558309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.558309 (E_RNA)
where:
Base-Base interactions energy: -35.955
where: short stacking energy: -31.310
Base-Backbone interact. energy: -0.064
local terms energy: -46.539074
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -9.125
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -5.419
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: 4
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -91.176388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.176388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.176388 (E_RNA)
where:
Base-Base interactions energy: -41.011
where: short stacking energy: -30.554
Base-Backbone interact. energy: 0.599
local terms energy: -50.763588
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -10.974
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -3.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -81.780599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.780599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.780599 (E_RNA)
where:
Base-Base interactions energy: -29.008
where: short stacking energy: -23.312
Base-Backbone interact. energy: -0.195
local terms energy: -52.577859
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -10.412
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: 10, replica: 2
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -74.748754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.748754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.748754 (E_RNA)
where:
Base-Base interactions energy: -30.263
where: short stacking energy: -30.263
Base-Backbone interact. energy: -0.216
local terms energy: -44.270558
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -7.353
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -0.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -205.509339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.509339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.509339 (E_RNA)
where:
Base-Base interactions energy: -121.283
where: short stacking energy: -67.825
Base-Backbone interact. energy: -0.610
local terms energy: -83.615687
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -19.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -177.020534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.020534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.020534 (E_RNA)
where:
Base-Base interactions energy: -105.684
where: short stacking energy: -58.810
Base-Backbone interact. energy: -0.018
local terms energy: -71.318508
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -18.792
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -11.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -181.107380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.107380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.107380 (E_RNA)
where:
Base-Base interactions energy: -105.964
where: short stacking energy: -55.766
Base-Backbone interact. energy: -0.043
local terms energy: -75.099934
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -17.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -171.581495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.581495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.581495 (E_RNA)
where:
Base-Base interactions energy: -99.239
where: short stacking energy: -51.222
Base-Backbone interact. energy: -0.080
local terms energy: -72.262585
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -16.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -169.002524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.002524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.002524 (E_RNA)
where:
Base-Base interactions energy: -102.905
where: short stacking energy: -53.462
Base-Backbone interact. energy: -0.427
local terms energy: -65.670344
where:
bonds (distance) C4'-P energy: -8.451
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -15.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -164.313162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.313162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.313162 (E_RNA)
where:
Base-Base interactions energy: -101.154
where: short stacking energy: -41.483
Base-Backbone interact. energy: -0.014
local terms energy: -63.145391
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -10.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -88.604396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.604396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.604396 (E_RNA)
where:
Base-Base interactions energy: -34.142
where: short stacking energy: -34.142
Base-Backbone interact. energy: -0.019
local terms energy: -54.443161
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -10.847
flat angles C4'-P-C4' energy: -10.523
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -4.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -82.116690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.116690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.116690 (E_RNA)
where:
Base-Base interactions energy: -31.574
where: short stacking energy: -31.574
Base-Backbone interact. energy: -0.095
local terms energy: -50.447449
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -9.022
flat angles C4'-P-C4' energy: -18.302
flat angles P-C4'-P energy: -4.137
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: 4
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -76.468767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.468767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.468767 (E_RNA)
where:
Base-Base interactions energy: -24.826
where: short stacking energy: -24.822
Base-Backbone interact. energy: -0.211
local terms energy: -51.431469
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -3.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -71.806060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.806060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.806060 (E_RNA)
where:
Base-Base interactions energy: -22.067
where: short stacking energy: -15.165
Base-Backbone interact. energy: -0.185
local terms energy: -49.553259
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -5.154
tors. eta vs tors. theta energy: -1.541
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: 8
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -212.472101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.472101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.472101 (E_RNA)
where:
Base-Base interactions energy: -134.239
where: short stacking energy: -60.203
Base-Backbone interact. energy: -0.752
local terms energy: -77.480844
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -19.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -179.298079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.298079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.298079 (E_RNA)
where:
Base-Base interactions energy: -107.081
where: short stacking energy: -60.319
Base-Backbone interact. energy: -0.112
local terms energy: -72.104905
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -12.952
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: 6
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -172.291298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.291298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.291298 (E_RNA)
where:
Base-Base interactions energy: -108.418
where: short stacking energy: -52.860
Base-Backbone interact. energy: -0.004
local terms energy: -63.869581
where:
bonds (distance) C4'-P energy: -9.703
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -15.315
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: 5
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -180.078622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.078622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.078622 (E_RNA)
where:
Base-Base interactions energy: -108.216
where: short stacking energy: -59.361
Base-Backbone interact. energy: -0.479
local terms energy: -71.383891
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -18.117
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: 3
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -130.757878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.757878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.757878 (E_RNA)
where:
Base-Base interactions energy: -70.703
where: short stacking energy: -36.683
Base-Backbone interact. energy: -0.457
local terms energy: -59.598700
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -8.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -154.621603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.621603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.621603 (E_RNA)
where:
Base-Base interactions energy: -88.204
where: short stacking energy: -52.238
Base-Backbone interact. energy: -0.003
local terms energy: -66.413772
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -14.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -93.784361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.784361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.784361 (E_RNA)
where:
Base-Base interactions energy: -47.358
where: short stacking energy: -39.018
Base-Backbone interact. energy: -0.153
local terms energy: -46.273458
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -7.606
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -3.420
tors. eta vs tors. theta energy: -8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -83.920912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.920912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.920912 (E_RNA)
where:
Base-Base interactions energy: -33.783
where: short stacking energy: -26.605
Base-Backbone interact. energy: -0.300
local terms energy: -49.838101
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -11.406
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -11.408
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: 9, replica: 2
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -78.254169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.254169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.254169 (E_RNA)
where:
Base-Base interactions energy: -28.170
where: short stacking energy: -25.383
Base-Backbone interact. energy: -0.409
local terms energy: -49.675397
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -14.288
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: -0.358
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: 4
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -98.369621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.369621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.369621 (E_RNA)
where:
Base-Base interactions energy: -49.064
where: short stacking energy: -23.988
Base-Backbone interact. energy: 0.017
local terms energy: -49.322667
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -10.029
flat angles P-C4'-P energy: -5.513
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: 1, replica: 8
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -210.668394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.668394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.668394 (E_RNA)
where:
Base-Base interactions energy: -133.043
where: short stacking energy: -69.014
Base-Backbone interact. energy: -0.183
local terms energy: -77.442064
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -19.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -178.658402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.658402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.658402 (E_RNA)
where:
Base-Base interactions energy: -108.977
where: short stacking energy: -47.138
Base-Backbone interact. energy: -0.081
local terms energy: -69.600765
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -17.602
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: 10
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -176.159272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.159272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.159272 (E_RNA)
where:
Base-Base interactions energy: -104.116
where: short stacking energy: -61.117
Base-Backbone interact. energy: -0.058
local terms energy: -71.984649
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -19.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -183.214889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.214889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.214889 (E_RNA)
where:
Base-Base interactions energy: -115.319
where: short stacking energy: -61.329
Base-Backbone interact. energy: -0.171
local terms energy: -67.724832
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -15.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -136.247709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.247709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.247709 (E_RNA)
where:
Base-Base interactions energy: -76.021
where: short stacking energy: -38.969
Base-Backbone interact. energy: -0.065
local terms energy: -60.161897
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -12.200
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: 6, replica: 9
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -149.409867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.409867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.409867 (E_RNA)
where:
Base-Base interactions energy: -89.601
where: short stacking energy: -53.082
Base-Backbone interact. energy: -0.095
local terms energy: -59.713844
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -10.721
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: 1
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -90.870073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.870073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.870073 (E_RNA)
where:
Base-Base interactions energy: -29.981
where: short stacking energy: -25.834
Base-Backbone interact. energy: -1.179
local terms energy: -59.709854
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -13.396
tors. eta vs tors. theta energy: 0.094
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: 2
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -92.698374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.698374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.698374 (E_RNA)
where:
Base-Base interactions energy: -38.406
where: short stacking energy: -36.362
Base-Backbone interact. energy: -0.042
local terms energy: -54.250572
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -10.570
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -3.357
tors. eta vs tors. theta energy: -7.580
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: 9, replica: 7
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -79.011547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.011547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.011547 (E_RNA)
where:
Base-Base interactions energy: -30.781
where: short stacking energy: -30.047
Base-Backbone interact. energy: -0.041
local terms energy: -48.189400
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -10.589
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -4.726
tors. eta vs tors. theta energy: -5.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -80.604845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.604845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.604845 (E_RNA)
where:
Base-Base interactions energy: -32.949
where: short stacking energy: -26.401
Base-Backbone interact. energy: -0.159
local terms energy: -47.496537
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -7.048
flat angles C4'-P-C4' energy: -10.329
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -6.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -212.691655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.691655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.691655 (E_RNA)
where:
Base-Base interactions energy: -139.359
where: short stacking energy: -61.898
Base-Backbone interact. energy: -0.612
local terms energy: -72.720812
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -17.974
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: 6
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -167.375678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.375678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.375678 (E_RNA)
where:
Base-Base interactions energy: -102.607
where: short stacking energy: -46.367
Base-Backbone interact. energy: -0.042
local terms energy: -64.726667
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -12.871
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: 5
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -187.278744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.278744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.278744 (E_RNA)
where:
Base-Base interactions energy: -115.561
where: short stacking energy: -56.552
Base-Backbone interact. energy: -0.042
local terms energy: -71.675619
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -17.504
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: 10
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -173.291224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.291224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.291224 (E_RNA)
where:
Base-Base interactions energy: -105.999
where: short stacking energy: -54.318
Base-Backbone interact. energy: -0.092
local terms energy: -67.199976
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -4.480
tors. eta vs tors. theta energy: -16.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -173.284020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.284020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.284020 (E_RNA)
where:
Base-Base interactions energy: -110.267
where: short stacking energy: -53.110
Base-Backbone interact. energy: -0.893
local terms energy: -62.124723
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: -14.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -141.400865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.400865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.400865 (E_RNA)
where:
Base-Base interactions energy: -82.958
where: short stacking energy: -51.316
Base-Backbone interact. energy: 0.687
local terms energy: -59.129880
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -9.596
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: 2
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -86.446934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.446934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.446934 (E_RNA)
where:
Base-Base interactions energy: -40.799
where: short stacking energy: -39.988
Base-Backbone interact. energy: -0.199
local terms energy: -45.449225
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -11.428
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -5.227
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: 8, replica: 1
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -91.335355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.335355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.335355 (E_RNA)
where:
Base-Base interactions energy: -44.131
where: short stacking energy: -39.877
Base-Backbone interact. energy: -0.073
local terms energy: -47.130986
where:
bonds (distance) C4'-P energy: -8.720
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -6.911
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: 9, replica: 4
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -82.969724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.969724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.969724 (E_RNA)
where:
Base-Base interactions energy: -35.474
where: short stacking energy: -29.515
Base-Backbone interact. energy: -0.057
local terms energy: -47.438619
where:
bonds (distance) C4'-P energy: -9.603
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -3.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -71.168460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.168460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.168460 (E_RNA)
where:
Base-Base interactions energy: -20.671
where: short stacking energy: -20.671
Base-Backbone interact. energy: 1.194
local terms energy: -51.691866
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -2.103
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: 8
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -220.030629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.030629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.030629 (E_RNA)
where:
Base-Base interactions energy: -143.150
where: short stacking energy: -64.957
Base-Backbone interact. energy: -0.237
local terms energy: -76.644197
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -19.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -194.162775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.162775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.162775 (E_RNA)
where:
Base-Base interactions energy: -114.428
where: short stacking energy: -58.321
Base-Backbone interact. energy: -0.231
local terms energy: -79.503362
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -18.871
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: 6
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -181.901468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.901468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.901468 (E_RNA)
where:
Base-Base interactions energy: -106.949
where: short stacking energy: -61.663
Base-Backbone interact. energy: -0.630
local terms energy: -74.322822
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -16.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -168.492578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.492578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.492578 (E_RNA)
where:
Base-Base interactions energy: -97.286
where: short stacking energy: -57.527
Base-Backbone interact. energy: -0.070
local terms energy: -71.136790
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -14.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -161.519992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.519992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.519992 (E_RNA)
where:
Base-Base interactions energy: -94.805
where: short stacking energy: -52.097
Base-Backbone interact. energy: -0.548
local terms energy: -66.167863
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -14.233
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -11.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -107.576717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.576717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.576717 (E_RNA)
where:
Base-Base interactions energy: -45.374
where: short stacking energy: -42.779
Base-Backbone interact. energy: -0.280
local terms energy: -61.922017
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -9.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -134.461845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.461845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.461845 (E_RNA)
where:
Base-Base interactions energy: -74.707
where: short stacking energy: -35.585
Base-Backbone interact. energy: -0.135
local terms energy: -59.620048
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -8.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -88.728495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.728495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.728495 (E_RNA)
where:
Base-Base interactions energy: -39.454
where: short stacking energy: -34.355
Base-Backbone interact. energy: -0.230
local terms energy: -49.044572
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -4.099
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -9.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -92.920039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.920039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.920039 (E_RNA)
where:
Base-Base interactions energy: -32.495
where: short stacking energy: -32.495
Base-Backbone interact. energy: -0.220
local terms energy: -60.205207
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -11.235
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -7.891
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: 7
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -81.619034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.619034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.619034 (E_RNA)
where:
Base-Base interactions energy: -30.485
where: short stacking energy: -29.753
Base-Backbone interact. energy: -0.138
local terms energy: -50.996098
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -223.303988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.303988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.303988 (E_RNA)
where:
Base-Base interactions energy: -146.818
where: short stacking energy: -71.613
Base-Backbone interact. energy: -0.691
local terms energy: -75.795435
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -18.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -186.229567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.229567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.229567 (E_RNA)
where:
Base-Base interactions energy: -115.239
where: short stacking energy: -61.047
Base-Backbone interact. energy: -0.029
local terms energy: -70.961105
where:
bonds (distance) C4'-P energy: -11.223
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -16.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -169.588327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.588327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.588327 (E_RNA)
where:
Base-Base interactions energy: -95.967
where: short stacking energy: -55.446
Base-Backbone interact. energy: -0.214
local terms energy: -73.407702
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -13.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -171.247518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.247518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.247518 (E_RNA)
where:
Base-Base interactions energy: -105.698
where: short stacking energy: -57.462
Base-Backbone interact. energy: -0.008
local terms energy: -65.541587
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -14.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -161.967516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.967516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.967516 (E_RNA)
where:
Base-Base interactions energy: -97.274
where: short stacking energy: -51.896
Base-Backbone interact. energy: -0.379
local terms energy: -64.314409
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -6.501
tors. eta vs tors. theta energy: -10.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -102.916884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.916884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.916884 (E_RNA)
where:
Base-Base interactions energy: -53.527
where: short stacking energy: -33.269
Base-Backbone interact. energy: -0.036
local terms energy: -49.354623
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -3.946
tors. eta vs tors. theta energy: -4.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -158.875539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.875539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.875539 (E_RNA)
where:
Base-Base interactions energy: -99.428
where: short stacking energy: -49.928
Base-Backbone interact. energy: -0.325
local terms energy: -59.122597
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -6.516
tors. eta vs tors. theta energy: -10.444
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: 8, replica: 4
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -89.085570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.085570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.085570 (E_RNA)
where:
Base-Base interactions energy: -28.172
where: short stacking energy: -28.172
Base-Backbone interact. energy: -0.179
local terms energy: -60.734082
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -7.137
tors. eta vs tors. theta energy: -10.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -89.507851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.507851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.507851 (E_RNA)
where:
Base-Base interactions energy: -36.033
where: short stacking energy: -36.033
Base-Backbone interact. energy: -0.375
local terms energy: -53.099625
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -8.507
flat angles C4'-P-C4' energy: -10.484
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -8.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -67.739901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.739901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.739901 (E_RNA)
where:
Base-Base interactions energy: -24.385
where: short stacking energy: -20.192
Base-Backbone interact. energy: 1.447
local terms energy: -44.801221
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -6.026
tors. eta vs tors. theta energy: 2.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -203.243626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.243626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.243626 (E_RNA)
where:
Base-Base interactions energy: -126.101
where: short stacking energy: -68.337
Base-Backbone interact. energy: -0.032
local terms energy: -77.111511
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -19.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -183.601971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.601971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.601971 (E_RNA)
where:
Base-Base interactions energy: -121.671
where: short stacking energy: -55.421
Base-Backbone interact. energy: -0.235
local terms energy: -61.695363
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -11.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -173.903660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.903660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.903660 (E_RNA)
where:
Base-Base interactions energy: -98.288
where: short stacking energy: -54.355
Base-Backbone interact. energy: -0.772
local terms energy: -74.843080
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -16.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -166.435065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.435065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.435065 (E_RNA)
where:
Base-Base interactions energy: -101.242
where: short stacking energy: -51.980
Base-Backbone interact. energy: 0.363
local terms energy: -65.556319
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -10.450
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: 6
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -164.951221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.951221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.951221 (E_RNA)
where:
Base-Base interactions energy: -98.234
where: short stacking energy: -50.004
Base-Backbone interact. energy: -0.058
local terms energy: -66.659845
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -10.012
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -14.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -143.247819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.247819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.247819 (E_RNA)
where:
Base-Base interactions energy: -85.519
where: short stacking energy: -40.078
Base-Backbone interact. energy: -0.199
local terms energy: -57.529708
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -9.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -89.061652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.061652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.061652 (E_RNA)
where:
Base-Base interactions energy: -36.382
where: short stacking energy: -36.382
Base-Backbone interact. energy: -0.327
local terms energy: -52.352076
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -8.734
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -4.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -89.656486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.656486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.656486 (E_RNA)
where:
Base-Base interactions energy: -35.643
where: short stacking energy: -31.282
Base-Backbone interact. energy: -0.221
local terms energy: -53.792585
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -2.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -79.469568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.469568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.469568 (E_RNA)
where:
Base-Base interactions energy: -35.127
where: short stacking energy: -35.127
Base-Backbone interact. energy: -0.107
local terms energy: -44.235519
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -7.360
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -4.300
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: 1
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -68.393395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.393395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.393395 (E_RNA)
where:
Base-Base interactions energy: -20.526
where: short stacking energy: -19.310
Base-Backbone interact. energy: -0.055
local terms energy: -47.812289
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -9.437
flat angles P-C4'-P energy: -6.144
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: 8
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -197.346134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.346134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.346134 (E_RNA)
where:
Base-Base interactions energy: -121.243
where: short stacking energy: -60.006
Base-Backbone interact. energy: -1.571
local terms energy: -74.532352
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -16.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -180.008070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.008070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.008070 (E_RNA)
where:
Base-Base interactions energy: -112.828
where: short stacking energy: -62.526
Base-Backbone interact. energy: 0.868
local terms energy: -68.048045
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -14.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -178.375761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.375761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.375761 (E_RNA)
where:
Base-Base interactions energy: -106.019
where: short stacking energy: -59.170
Base-Backbone interact. energy: -0.027
local terms energy: -72.330002
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -18.577
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: 9
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -154.788871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.788871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.788871 (E_RNA)
where:
Base-Base interactions energy: -86.347
where: short stacking energy: -39.589
Base-Backbone interact. energy: -0.175
local terms energy: -68.266191
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -11.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -158.251066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.251066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.251066 (E_RNA)
where:
Base-Base interactions energy: -94.988
where: short stacking energy: -45.624
Base-Backbone interact. energy: -0.107
local terms energy: -63.156276
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -7.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -168.336671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.336671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.336671 (E_RNA)
where:
Base-Base interactions energy: -104.080
where: short stacking energy: -49.664
Base-Backbone interact. energy: -0.589
local terms energy: -63.668030
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -12.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -101.572886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.572886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.572886 (E_RNA)
where:
Base-Base interactions energy: -41.442
where: short stacking energy: -27.665
Base-Backbone interact. energy: -0.296
local terms energy: -59.835407
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -9.325
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: 8, replica: 2
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -87.053062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.053062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.053062 (E_RNA)
where:
Base-Base interactions energy: -36.695
where: short stacking energy: -22.084
Base-Backbone interact. energy: -0.707
local terms energy: -49.650527
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -5.041
tors. eta vs tors. theta energy: -1.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -84.155252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.155252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.155252 (E_RNA)
where:
Base-Base interactions energy: -33.827
where: short stacking energy: -29.810
Base-Backbone interact. energy: 1.581
local terms energy: -51.909057
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -12.231
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: -2.368
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: 4
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -74.900348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.900348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.900348 (E_RNA)
where:
Base-Base interactions energy: -22.272
where: short stacking energy: -15.530
Base-Backbone interact. energy: -0.734
local terms energy: -51.893613
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -208.009227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.009227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.009227 (E_RNA)
where:
Base-Base interactions energy: -134.527
where: short stacking energy: -69.946
Base-Backbone interact. energy: -0.883
local terms energy: -72.598507
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -14.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -185.753811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.753811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.753811 (E_RNA)
where:
Base-Base interactions energy: -107.383
where: short stacking energy: -60.401
Base-Backbone interact. energy: -0.212
local terms energy: -78.159143
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: -14.836
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: 3, replica: 5
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -191.689054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.689054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.689054 (E_RNA)
where:
Base-Base interactions energy: -122.988
where: short stacking energy: -69.782
Base-Backbone interact. energy: -0.538
local terms energy: -68.162372
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -18.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -166.862948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.862948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.862948 (E_RNA)
where:
Base-Base interactions energy: -105.929
where: short stacking energy: -55.401
Base-Backbone interact. energy: -0.091
local terms energy: -60.843405
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -8.017
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -16.989
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: 5, replica: 9
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -179.075462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.075462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.075462 (E_RNA)
where:
Base-Base interactions energy: -109.485
where: short stacking energy: -55.617
Base-Backbone interact. energy: -0.725
local terms energy: -68.864897
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -16.798
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: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -138.604622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.604622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.604622 (E_RNA)
where:
Base-Base interactions energy: -82.333
where: short stacking energy: -41.694
Base-Backbone interact. energy: -0.028
local terms energy: -56.244240
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -14.248
flat angles C4'-P-C4' energy: -9.934
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -10.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -109.250758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.250758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.250758 (E_RNA)
where:
Base-Base interactions energy: -51.259
where: short stacking energy: -31.229
Base-Backbone interact. energy: -0.127
local terms energy: -57.865145
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -15.721
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -4.654
tors. eta vs tors. theta energy: -9.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -76.216728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.216728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.216728 (E_RNA)
where:
Base-Base interactions energy: -36.593
where: short stacking energy: -30.960
Base-Backbone interact. energy: -0.768
local terms energy: -38.856368
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -10.806
flat angles C4'-P-C4' energy: -9.870
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: -0.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -75.161913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.161913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.161913 (E_RNA)
where:
Base-Base interactions energy: -30.136
where: short stacking energy: -22.790
Base-Backbone interact. energy: -0.166
local terms energy: -44.859858
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -10.747
flat angles C4'-P-C4' energy: -10.082
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -1.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -71.436714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.436714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.436714 (E_RNA)
where:
Base-Base interactions energy: -22.350
where: short stacking energy: -22.218
Base-Backbone interact. energy: -0.185
local terms energy: -48.902082
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: 0.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -189.081793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.081793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.081793 (E_RNA)
where:
Base-Base interactions energy: -122.386
where: short stacking energy: -63.748
Base-Backbone interact. energy: 0.208
local terms energy: -66.903718
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -9.294
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -17.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -182.474231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.474231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.474231 (E_RNA)
where:
Base-Base interactions energy: -103.139
where: short stacking energy: -60.108
Base-Backbone interact. energy: -0.170
local terms energy: -79.165684
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -17.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -193.337948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.337948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.337948 (E_RNA)
where:
Base-Base interactions energy: -118.083
where: short stacking energy: -65.490
Base-Backbone interact. energy: 0.613
local terms energy: -75.867761
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -17.276
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: 3
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -184.635757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.635757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.635757 (E_RNA)
where:
Base-Base interactions energy: -114.334
where: short stacking energy: -64.902
Base-Backbone interact. energy: -0.008
local terms energy: -70.293003
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -15.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -180.315868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.315868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.315868 (E_RNA)
where:
Base-Base interactions energy: -114.574
where: short stacking energy: -57.236
Base-Backbone interact. energy: -0.045
local terms energy: -65.696805
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -11.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -133.044357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.044357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.044357 (E_RNA)
where:
Base-Base interactions energy: -84.274
where: short stacking energy: -37.969
Base-Backbone interact. energy: -0.223
local terms energy: -48.546451
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -11.617
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -3.980
tors. eta vs tors. theta energy: -4.257
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: 2
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -89.245491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.245491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.245491 (E_RNA)
where:
Base-Base interactions energy: -36.884
where: short stacking energy: -36.884
Base-Backbone interact. energy: -0.011
local terms energy: -52.350974
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -10.642
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -4.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -84.879176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.879176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.879176 (E_RNA)
where:
Base-Base interactions energy: -41.183
where: short stacking energy: -20.609
Base-Backbone interact. energy: -0.244
local terms energy: -43.452309
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -10.537
flat angles C4'-P-C4' energy: -6.965
flat angles P-C4'-P energy: -10.761
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: 4
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -93.358544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.358544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.358544 (E_RNA)
where:
Base-Base interactions energy: -40.116
where: short stacking energy: -27.014
Base-Backbone interact. energy: -0.092
local terms energy: -53.150565
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: 2.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -82.741256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.741256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.741256 (E_RNA)
where:
Base-Base interactions energy: -30.021
where: short stacking energy: -26.829
Base-Backbone interact. energy: -0.288
local terms energy: -52.432290
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -10.554
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -0.153
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: 10
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -187.665401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.665401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.665401 (E_RNA)
where:
Base-Base interactions energy: -122.994
where: short stacking energy: -64.836
Base-Backbone interact. energy: -0.824
local terms energy: -63.847467
where:
bonds (distance) C4'-P energy: -9.606
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -15.793
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: 2, replica: 5
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -190.127130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.127130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.127130 (E_RNA)
where:
Base-Base interactions energy: -112.780
where: short stacking energy: -65.119
Base-Backbone interact. energy: -0.083
local terms energy: -77.263913
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -20.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -175.226585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.226585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.226585 (E_RNA)
where:
Base-Base interactions energy: -106.521
where: short stacking energy: -63.413
Base-Backbone interact. energy: -0.002
local terms energy: -68.703076
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -15.865
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: 4, replica: 3
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -183.394711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.394711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.394711 (E_RNA)
where:
Base-Base interactions energy: -111.688
where: short stacking energy: -62.295
Base-Backbone interact. energy: -0.026
local terms energy: -71.680518
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -16.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -188.240565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.240565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.240565 (E_RNA)
where:
Base-Base interactions energy: -117.473
where: short stacking energy: -54.817
Base-Backbone interact. energy: -0.319
local terms energy: -70.448235
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -17.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -136.960876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.960876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.960876 (E_RNA)
where:
Base-Base interactions energy: -76.119
where: short stacking energy: -41.535
Base-Backbone interact. energy: -1.439
local terms energy: -59.403330
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -3.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -101.784346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.784346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.784346 (E_RNA)
where:
Base-Base interactions energy: -41.526
where: short stacking energy: -38.902
Base-Backbone interact. energy: -0.703
local terms energy: -59.555454
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -8.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -81.194383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.194383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.194383 (E_RNA)
where:
Base-Base interactions energy: -33.219
where: short stacking energy: -33.219
Base-Backbone interact. energy: -0.028
local terms energy: -47.947205
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -4.491
tors. eta vs tors. theta energy: -2.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -72.859457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.859457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.859457 (E_RNA)
where:
Base-Base interactions energy: -26.700
where: short stacking energy: -22.878
Base-Backbone interact. energy: -0.398
local terms energy: -45.761625
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -9.034
flat angles P-C4'-P energy: -9.254
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: 1
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -75.321191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.321191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.321191 (E_RNA)
where:
Base-Base interactions energy: -23.709
where: short stacking energy: -23.467
Base-Backbone interact. energy: -0.081
local terms energy: -51.530985
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -9.662
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: 1, replica: 5
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -196.611177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.611177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.611177 (E_RNA)
where:
Base-Base interactions energy: -118.573
where: short stacking energy: -63.321
Base-Backbone interact. energy: -0.034
local terms energy: -78.004099
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -14.406
tors. eta vs tors. theta energy: -17.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -176.534855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.534855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.534855 (E_RNA)
where:
Base-Base interactions energy: -111.828
where: short stacking energy: -59.785
Base-Backbone interact. energy: -0.113
local terms energy: -64.593874
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -11.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -173.237058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.237058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.237058 (E_RNA)
where:
Base-Base interactions energy: -110.634
where: short stacking energy: -51.275
Base-Backbone interact. energy: -0.002
local terms energy: -62.600242
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -11.298
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -12.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -179.132249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.132249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.132249 (E_RNA)
where:
Base-Base interactions energy: -108.334
where: short stacking energy: -58.497
Base-Backbone interact. energy: -0.149
local terms energy: -70.649149
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -18.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -190.724499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.724499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.724499 (E_RNA)
where:
Base-Base interactions energy: -117.367
where: short stacking energy: -62.009
Base-Backbone interact. energy: -0.013
local terms energy: -73.344578
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -18.500
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -13.809
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: 6
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -145.804407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.804407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.804407 (E_RNA)
where:
Base-Base interactions energy: -85.186
where: short stacking energy: -38.864
Base-Backbone interact. energy: -0.111
local terms energy: -60.507000
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -6.676
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: 7
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -88.832402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.832402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.832402 (E_RNA)
where:
Base-Base interactions energy: -38.701
where: short stacking energy: -32.741
Base-Backbone interact. energy: 0.763
local terms energy: -50.893679
where:
bonds (distance) C4'-P energy: -9.375
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -4.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -87.113523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.113523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.113523 (E_RNA)
where:
Base-Base interactions energy: -35.870
where: short stacking energy: -35.870
Base-Backbone interact. energy: -0.874
local terms energy: -50.369408
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -5.200
tors. eta vs tors. theta energy: -6.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -76.626531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.626531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.626531 (E_RNA)
where:
Base-Base interactions energy: -29.180
where: short stacking energy: -29.180
Base-Backbone interact. energy: -0.023
local terms energy: -47.423788
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -3.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -71.329568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.329568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.329568 (E_RNA)
where:
Base-Base interactions energy: -27.687
where: short stacking energy: -22.443
Base-Backbone interact. energy: -0.199
local terms energy: -43.444099
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -7.161
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: 2.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -198.573923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.573923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.573923 (E_RNA)
where:
Base-Base interactions energy: -119.775
where: short stacking energy: -62.612
Base-Backbone interact. energy: -0.073
local terms energy: -78.725427
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -19.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -169.854394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.854394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.854394 (E_RNA)
where:
Base-Base interactions energy: -101.443
where: short stacking energy: -49.401
Base-Backbone interact. energy: -0.080
local terms energy: -68.331688
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -13.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -171.437425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.437425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.437425 (E_RNA)
where:
Base-Base interactions energy: -104.306
where: short stacking energy: -42.389
Base-Backbone interact. energy: -0.064
local terms energy: -67.067736
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -6.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -188.840965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.840965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.840965 (E_RNA)
where:
Base-Base interactions energy: -119.817
where: short stacking energy: -60.713
Base-Backbone interact. energy: -1.344
local terms energy: -67.679301
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -18.971
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: 8
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -162.359204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.359204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.359204 (E_RNA)
where:
Base-Base interactions energy: -92.115
where: short stacking energy: -47.267
Base-Backbone interact. energy: -0.090
local terms energy: -70.154015
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -14.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -170.394185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.394185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.394185 (E_RNA)
where:
Base-Base interactions energy: -97.812
where: short stacking energy: -51.310
Base-Backbone interact. energy: -0.012
local terms energy: -72.570059
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -22.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -82.016500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.016500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.016500 (E_RNA)
where:
Base-Base interactions energy: -35.347
where: short stacking energy: -32.068
Base-Backbone interact. energy: 0.146
local terms energy: -46.815206
where:
bonds (distance) C4'-P energy: -6.539
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -3.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -95.362905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.362905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.362905 (E_RNA)
where:
Base-Base interactions energy: -41.924
where: short stacking energy: -28.299
Base-Backbone interact. energy: 0.037
local terms energy: -53.475828
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -10.598
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -5.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -80.854052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.854052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.854052 (E_RNA)
where:
Base-Base interactions energy: -33.713
where: short stacking energy: -33.713
Base-Backbone interact. energy: -0.620
local terms energy: -46.520392
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -5.407
tors. eta vs tors. theta energy: 1.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -80.230047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.230047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.230047 (E_RNA)
where:
Base-Base interactions energy: -32.268
where: short stacking energy: -29.298
Base-Backbone interact. energy: -0.170
local terms energy: -47.791989
where:
bonds (distance) C4'-P energy: -8.431
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -10.339
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -5.061
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: 252
Temperature: 0.900000
Total energy: -208.332166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.332166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.332166 (E_RNA)
where:
Base-Base interactions energy: -135.409
where: short stacking energy: -68.116
Base-Backbone interact. energy: -0.118
local terms energy: -72.805187
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -20.968
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: 3
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -167.616733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.616733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.616733 (E_RNA)
where:
Base-Base interactions energy: -96.549
where: short stacking energy: -55.188
Base-Backbone interact. energy: -0.505
local terms energy: -70.562712
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -14.355
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: 3, replica: 9
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -176.108429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.108429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.108429 (E_RNA)
where:
Base-Base interactions energy: -108.334
where: short stacking energy: -52.455
Base-Backbone interact. energy: -0.190
local terms energy: -67.584460
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -15.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -180.834077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.834077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.834077 (E_RNA)
where:
Base-Base interactions energy: -114.361
where: short stacking energy: -63.978
Base-Backbone interact. energy: -0.001
local terms energy: -66.472184
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -4.240
tors. eta vs tors. theta energy: -20.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -156.650110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.650110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.650110 (E_RNA)
where:
Base-Base interactions energy: -99.458
where: short stacking energy: -50.708
Base-Backbone interact. energy: -0.058
local terms energy: -57.133495
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -9.359
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -7.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -144.663611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.663611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.663611 (E_RNA)
where:
Base-Base interactions energy: -84.453
where: short stacking energy: -49.554
Base-Backbone interact. energy: 1.384
local terms energy: -61.594723
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -10.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -84.502491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.502491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.502491 (E_RNA)
where:
Base-Base interactions energy: -31.912
where: short stacking energy: -31.912
Base-Backbone interact. energy: -0.079
local terms energy: -52.511617
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -5.249
tors. eta vs tors. theta energy: -3.811
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: 7
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -87.185294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.185294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.185294 (E_RNA)
where:
Base-Base interactions energy: -35.705
where: short stacking energy: -35.705
Base-Backbone interact. energy: -0.025
local terms energy: -51.455417
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -7.722
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -4.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -78.714715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.714715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.714715 (E_RNA)
where:
Base-Base interactions energy: -28.113
where: short stacking energy: -28.113
Base-Backbone interact. energy: -0.206
local terms energy: -50.395125
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -0.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -70.009496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.009496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.009496 (E_RNA)
where:
Base-Base interactions energy: -21.466
where: short stacking energy: -20.660
Base-Backbone interact. energy: 0.150
local terms energy: -48.693768
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -8.491
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: 1.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -209.306360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.306360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.306360 (E_RNA)
where:
Base-Base interactions energy: -136.640
where: short stacking energy: -57.410
Base-Backbone interact. energy: -0.115
local terms energy: -72.550451
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: -19.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -185.234820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.234820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.234820 (E_RNA)
where:
Base-Base interactions energy: -116.545
where: short stacking energy: -45.123
Base-Backbone interact. energy: -1.433
local terms energy: -67.256934
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -10.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -152.895460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.895460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.895460 (E_RNA)
where:
Base-Base interactions energy: -92.956
where: short stacking energy: -52.240
Base-Backbone interact. energy: -0.157
local terms energy: -59.782109
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -15.126
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -7.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -148.301971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.301971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.301971 (E_RNA)
where:
Base-Base interactions energy: -85.993
where: short stacking energy: -40.570
Base-Backbone interact. energy: -0.253
local terms energy: -62.055522
where:
bonds (distance) C4'-P energy: -10.636
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -10.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -170.819393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.819393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.819393 (E_RNA)
where:
Base-Base interactions energy: -104.977
where: short stacking energy: -53.508
Base-Backbone interact. energy: -0.746
local terms energy: -65.096986
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -15.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -173.754729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.754729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.754729 (E_RNA)
where:
Base-Base interactions energy: -107.037
where: short stacking energy: -51.105
Base-Backbone interact. energy: -1.116
local terms energy: -65.602153
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -10.931
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: 1
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -92.037071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.037071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.037071 (E_RNA)
where:
Base-Base interactions energy: -41.793
where: short stacking energy: -41.793
Base-Backbone interact. energy: -0.101
local terms energy: -50.142518
where:
bonds (distance) C4'-P energy: -8.613
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -9.061
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -9.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -82.453255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.453255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.453255 (E_RNA)
where:
Base-Base interactions energy: -33.779
where: short stacking energy: -29.120
Base-Backbone interact. energy: -0.688
local terms energy: -47.985681
where:
bonds (distance) C4'-P energy: -9.490
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -7.819
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: 9, replica: 4
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -86.309364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.309364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.309364 (E_RNA)
where:
Base-Base interactions energy: -37.708
where: short stacking energy: -37.708
Base-Backbone interact. energy: -0.150
local terms energy: -48.451590
where:
bonds (distance) C4'-P energy: -9.541
bonds (distance) P-C4' energy: -10.106
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -8.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -71.226403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.226403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.226403 (E_RNA)
where:
Base-Base interactions energy: -29.911
where: short stacking energy: -28.689
Base-Backbone interact. energy: -0.020
local terms energy: -41.294556
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -8.422
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -2.082
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: 5
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -195.013019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.013019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.013019 (E_RNA)
where:
Base-Base interactions energy: -122.725
where: short stacking energy: -48.864
Base-Backbone interact. energy: -0.121
local terms energy: -72.166867
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -15.030
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: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -192.185580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.185580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.185580 (E_RNA)
where:
Base-Base interactions energy: -126.794
where: short stacking energy: -54.176
Base-Backbone interact. energy: -0.534
local terms energy: -64.857659
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -15.827
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: 6
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -175.562852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.562852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.562852 (E_RNA)
where:
Base-Base interactions energy: -107.178
where: short stacking energy: -61.285
Base-Backbone interact. energy: -0.132
local terms energy: -68.252628
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -13.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -155.481969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.481969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.481969 (E_RNA)
where:
Base-Base interactions energy: -93.370
where: short stacking energy: -50.248
Base-Backbone interact. energy: -1.037
local terms energy: -61.074684
where:
bonds (distance) C4'-P energy: -10.450
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -11.631
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: 8
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -162.676502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.676502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.676502 (E_RNA)
where:
Base-Base interactions energy: -97.977
where: short stacking energy: -52.901
Base-Backbone interact. energy: -0.127
local terms energy: -64.572253
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -6.746
tors. eta vs tors. theta energy: -11.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -168.113438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.113438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.113438 (E_RNA)
where:
Base-Base interactions energy: -97.371
where: short stacking energy: -56.036
Base-Backbone interact. energy: -0.034
local terms energy: -70.708898
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -11.533
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -17.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -88.873264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.873264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.873264 (E_RNA)
where:
Base-Base interactions energy: -34.737
where: short stacking energy: -34.737
Base-Backbone interact. energy: -0.108
local terms energy: -54.027871
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -9.759
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -12.309
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: 8, replica: 1
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -94.302762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.302762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.302762 (E_RNA)
where:
Base-Base interactions energy: -38.303
where: short stacking energy: -37.988
Base-Backbone interact. energy: -0.025
local terms energy: -55.975186
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -10.815
flat angles P-C4'-P energy: -5.785
tors. eta vs tors. theta energy: -13.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -85.285506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.285506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.285506 (E_RNA)
where:
Base-Base interactions energy: -33.194
where: short stacking energy: -33.194
Base-Backbone interact. energy: -0.066
local terms energy: -52.025654
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -10.531
flat angles P-C4'-P energy: -6.450
tors. eta vs tors. theta energy: -6.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -82.016537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.016537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.016537 (E_RNA)
where:
Base-Base interactions energy: -38.325
where: short stacking energy: -34.605
Base-Backbone interact. energy: 0.695
local terms energy: -44.386421
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -9.120
flat angles P-C4'-P energy: -2.684
tors. eta vs tors. theta energy: -4.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -215.980668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.980668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.980668 (E_RNA)
where:
Base-Base interactions energy: -139.277
where: short stacking energy: -65.209
Base-Backbone interact. energy: -0.385
local terms energy: -76.318584
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -18.634
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -18.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -181.016868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.016868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.016868 (E_RNA)
where:
Base-Base interactions energy: -108.879
where: short stacking energy: -45.017
Base-Backbone interact. energy: -0.841
local terms energy: -71.297334
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -11.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -188.894933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.894933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.894933 (E_RNA)
where:
Base-Base interactions energy: -120.219
where: short stacking energy: -61.711
Base-Backbone interact. energy: -0.200
local terms energy: -68.475896
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -17.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -155.262567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.262567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.262567 (E_RNA)
where:
Base-Base interactions energy: -100.766
where: short stacking energy: -53.572
Base-Backbone interact. energy: -0.101
local terms energy: -54.395744
where:
bonds (distance) C4'-P energy: -10.140
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -12.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -141.771676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.771676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.771676 (E_RNA)
where:
Base-Base interactions energy: -77.163
where: short stacking energy: -45.709
Base-Backbone interact. energy: -0.005
local terms energy: -64.603076
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -11.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -162.983462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.983462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.983462 (E_RNA)
where:
Base-Base interactions energy: -100.495
where: short stacking energy: -53.343
Base-Backbone interact. energy: -0.082
local terms energy: -62.406909
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -11.605
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -11.342
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: 7, replica: 7
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -93.952160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.952160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.952160 (E_RNA)
where:
Base-Base interactions energy: -32.741
where: short stacking energy: -32.316
Base-Backbone interact. energy: -0.100
local terms energy: -61.110730
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: -8.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -86.909680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.909680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.909680 (E_RNA)
where:
Base-Base interactions energy: -27.545
where: short stacking energy: -27.545
Base-Backbone interact. energy: -0.146
local terms energy: -59.219592
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -3.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -89.220348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.220348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.220348 (E_RNA)
where:
Base-Base interactions energy: -39.984
where: short stacking energy: -30.149
Base-Backbone interact. energy: -0.120
local terms energy: -49.115996
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -9.976
flat angles P-C4'-P energy: -5.141
tors. eta vs tors. theta energy: -3.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -75.991155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.991155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.991155 (E_RNA)
where:
Base-Base interactions energy: -26.940
where: short stacking energy: -26.639
Base-Backbone interact. energy: -0.072
local terms energy: -48.979273
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -1.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -212.339337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.339337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.339337 (E_RNA)
where:
Base-Base interactions energy: -135.118
where: short stacking energy: -76.696
Base-Backbone interact. energy: -0.345
local terms energy: -76.876179
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -20.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -185.045357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.045357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.045357 (E_RNA)
where:
Base-Base interactions energy: -107.876
where: short stacking energy: -58.127
Base-Backbone interact. energy: -0.098
local terms energy: -77.071092
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -19.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -186.415864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.415864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.415864 (E_RNA)
where:
Base-Base interactions energy: -113.879
where: short stacking energy: -63.777
Base-Backbone interact. energy: -0.087
local terms energy: -72.450118
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -18.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -151.750522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.750522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.750522 (E_RNA)
where:
Base-Base interactions energy: -90.417
where: short stacking energy: -50.662
Base-Backbone interact. energy: -0.148
local terms energy: -61.185609
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -5.843
tors. eta vs tors. theta energy: -10.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -163.250672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.250672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.250672 (E_RNA)
where:
Base-Base interactions energy: -106.975
where: short stacking energy: -45.047
Base-Backbone interact. energy: -0.251
local terms energy: -56.024420
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -10.298
flat angles P-C4'-P energy: -3.940
tors. eta vs tors. theta energy: -11.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -142.317670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.317670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.317670 (E_RNA)
where:
Base-Base interactions energy: -85.593
where: short stacking energy: -53.064
Base-Backbone interact. energy: -0.001
local terms energy: -56.723157
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -5.998
tors. eta vs tors. theta energy: -10.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -97.249409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.249409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.249409 (E_RNA)
where:
Base-Base interactions energy: -47.615
where: short stacking energy: -45.163
Base-Backbone interact. energy: -0.087
local terms energy: -49.547862
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -7.955
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -4.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -92.076776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.076776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.076776 (E_RNA)
where:
Base-Base interactions energy: -36.859
where: short stacking energy: -36.859
Base-Backbone interact. energy: -0.166
local terms energy: -55.051499
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -9.975
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -6.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -82.987578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.987578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.987578 (E_RNA)
where:
Base-Base interactions energy: -27.358
where: short stacking energy: -27.358
Base-Backbone interact. energy: -0.200
local terms energy: -55.429985
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -9.032
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: 1
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -84.537710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.537710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.537710 (E_RNA)
where:
Base-Base interactions energy: -27.542
where: short stacking energy: -27.542
Base-Backbone interact. energy: -1.197
local terms energy: -55.798752
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -10.922
flat angles P-C4'-P energy: -4.502
tors. eta vs tors. theta energy: -6.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -203.124643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.124643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.124643 (E_RNA)
where:
Base-Base interactions energy: -126.345
where: short stacking energy: -70.068
Base-Backbone interact. energy: -0.219
local terms energy: -76.560414
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -13.793
tors. eta vs tors. theta energy: -18.419
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: 9
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -191.544049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.544049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.544049 (E_RNA)
where:
Base-Base interactions energy: -114.420
where: short stacking energy: -59.242
Base-Backbone interact. energy: -0.001
local terms energy: -77.122439
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -17.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -177.676793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.676793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.676793 (E_RNA)
where:
Base-Base interactions energy: -105.714
where: short stacking energy: -59.348
Base-Backbone interact. energy: -0.152
local terms energy: -71.810229
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -15.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -161.497459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.497459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.497459 (E_RNA)
where:
Base-Base interactions energy: -97.986
where: short stacking energy: -55.901
Base-Backbone interact. energy: -0.101
local terms energy: -63.410436
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -15.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -163.842293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.842293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.842293 (E_RNA)
where:
Base-Base interactions energy: -98.118
where: short stacking energy: -52.676
Base-Backbone interact. energy: -0.164
local terms energy: -65.560220
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -11.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -101.999376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.999376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.999376 (E_RNA)
where:
Base-Base interactions energy: -45.094
where: short stacking energy: -35.740
Base-Backbone interact. energy: -0.038
local terms energy: -56.867125
where:
bonds (distance) C4'-P energy: -10.219
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -9.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -130.432600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.432600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.432600 (E_RNA)
where:
Base-Base interactions energy: -78.848
where: short stacking energy: -44.620
Base-Backbone interact. energy: -0.267
local terms energy: -51.317527
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -11.482
flat angles P-C4'-P energy: -5.479
tors. eta vs tors. theta energy: -10.363
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: 4
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -83.585216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.585216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.585216 (E_RNA)
where:
Base-Base interactions energy: -28.904
where: short stacking energy: -26.911
Base-Backbone interact. energy: -0.261
local terms energy: -54.420480
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -15.074
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -6.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -83.245752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.245752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.245752 (E_RNA)
where:
Base-Base interactions energy: -30.378
where: short stacking energy: -24.455
Base-Backbone interact. energy: -1.477
local terms energy: -51.390547
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -10.638
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -5.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -84.342550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.342550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.342550 (E_RNA)
where:
Base-Base interactions energy: -31.509
where: short stacking energy: -20.237
Base-Backbone interact. energy: -0.082
local terms energy: -52.751017
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -10.389
flat angles C4'-P-C4' energy: -10.551
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -4.863
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: 9
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -201.221218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.221218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.221218 (E_RNA)
where:
Base-Base interactions energy: -122.211
where: short stacking energy: -69.179
Base-Backbone interact. energy: -0.601
local terms energy: -78.408808
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -22.991
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: 5
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -197.941160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.941160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.941160 (E_RNA)
where:
Base-Base interactions energy: -133.405
where: short stacking energy: -58.035
Base-Backbone interact. energy: -0.468
local terms energy: -64.067786
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -13.935
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: 3
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -159.011733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.011733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.011733 (E_RNA)
where:
Base-Base interactions energy: -97.700
where: short stacking energy: -53.774
Base-Backbone interact. energy: -0.094
local terms energy: -61.217925
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -6.156
tors. eta vs tors. theta energy: -10.181
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: 6
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -161.037719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.037719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.037719 (E_RNA)
where:
Base-Base interactions energy: -107.016
where: short stacking energy: -52.739
Base-Backbone interact. energy: -0.389
local terms energy: -53.632678
where:
bonds (distance) C4'-P energy: -10.479
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -8.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -164.299972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.299972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.299972 (E_RNA)
where:
Base-Base interactions energy: -99.471
where: short stacking energy: -50.688
Base-Backbone interact. energy: -0.059
local terms energy: -64.769960
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -11.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -93.492263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.492263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.492263 (E_RNA)
where:
Base-Base interactions energy: -47.198
where: short stacking energy: -37.024
Base-Backbone interact. energy: -0.223
local terms energy: -46.070722
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -2.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -134.540721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.540721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.540721 (E_RNA)
where:
Base-Base interactions energy: -80.503
where: short stacking energy: -47.594
Base-Backbone interact. energy: -0.030
local terms energy: -54.007539
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -13.649
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -6.189
tors. eta vs tors. theta energy: -8.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -78.826875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.826875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.826875 (E_RNA)
where:
Base-Base interactions energy: -26.653
where: short stacking energy: -22.929
Base-Backbone interact. energy: -0.030
local terms energy: -52.143227
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -6.114
flat angles P-C4'-P energy: -6.751
tors. eta vs tors. theta energy: -6.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -84.925792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.925792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.925792 (E_RNA)
where:
Base-Base interactions energy: -36.737
where: short stacking energy: -24.288
Base-Backbone interact. energy: 0.608
local terms energy: -48.796757
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -5.009
tors. eta vs tors. theta energy: -5.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -83.459147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.459147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.459147 (E_RNA)
where:
Base-Base interactions energy: -34.706
where: short stacking energy: -27.069
Base-Backbone interact. energy: 1.393
local terms energy: -50.146139
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -2.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -195.001739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.001739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.001739 (E_RNA)
where:
Base-Base interactions energy: -119.013
where: short stacking energy: -65.530
Base-Backbone interact. energy: -0.069
local terms energy: -75.919801
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: -17.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -204.041718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.041718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.041718 (E_RNA)
where:
Base-Base interactions energy: -142.126
where: short stacking energy: -56.535
Base-Backbone interact. energy: -0.212
local terms energy: -61.704034
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -11.875
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: 3
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -145.276253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.276253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.276253 (E_RNA)
where:
Base-Base interactions energy: -89.590
where: short stacking energy: -43.443
Base-Backbone interact. energy: -0.364
local terms energy: -55.321775
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -9.852
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -6.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -171.071128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.071128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.071128 (E_RNA)
where:
Base-Base interactions energy: -109.064
where: short stacking energy: -56.146
Base-Backbone interact. energy: -0.721
local terms energy: -61.286164
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -13.354
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -8.902
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: 5, replica: 6
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -146.483964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.483964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.483964 (E_RNA)
where:
Base-Base interactions energy: -92.523
where: short stacking energy: -50.834
Base-Backbone interact. energy: 0.059
local terms energy: -54.019743
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -5.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -144.900113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.900113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.900113 (E_RNA)
where:
Base-Base interactions energy: -96.836
where: short stacking energy: -50.838
Base-Backbone interact. energy: -0.144
local terms energy: -47.920310
where:
bonds (distance) C4'-P energy: -10.157
bonds (distance) P-C4' energy: -11.022
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -4.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -114.319300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.319300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.319300 (E_RNA)
where:
Base-Base interactions energy: -64.662
where: short stacking energy: -33.819
Base-Backbone interact. energy: -0.020
local terms energy: -49.636947
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -8.267
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -6.023
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: 8, replica: 1
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -83.511832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.511832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.511832 (E_RNA)
where:
Base-Base interactions energy: -36.681
where: short stacking energy: -34.404
Base-Backbone interact. energy: -0.255
local terms energy: -46.575483
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -4.732
tors. eta vs tors. theta energy: 0.027
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: 4
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -81.810074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.810074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.810074 (E_RNA)
where:
Base-Base interactions energy: -32.260
where: short stacking energy: -31.717
Base-Backbone interact. energy: -0.133
local terms energy: -49.417282
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -3.375
tors. eta vs tors. theta energy: -3.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -78.620164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.620164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.620164 (E_RNA)
where:
Base-Base interactions energy: -28.503
where: short stacking energy: -27.738
Base-Backbone interact. energy: -0.126
local terms energy: -49.990920
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -10.272
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -2.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -201.658148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.658148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.658148 (E_RNA)
where:
Base-Base interactions energy: -123.050
where: short stacking energy: -67.802
Base-Backbone interact. energy: -0.044
local terms energy: -78.564403
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -20.149
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: 2, replica: 9
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -198.712582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.712582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.712582 (E_RNA)
where:
Base-Base interactions energy: -124.517
where: short stacking energy: -59.961
Base-Backbone interact. energy: -0.021
local terms energy: -74.174644
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -18.805
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: 3, replica: 10
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -177.484293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.484293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.484293 (E_RNA)
where:
Base-Base interactions energy: -109.259
where: short stacking energy: -62.420
Base-Backbone interact. energy: -0.196
local terms energy: -68.029320
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -9.912
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: 4, replica: 3
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -161.895690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.895690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.895690 (E_RNA)
where:
Base-Base interactions energy: -97.575
where: short stacking energy: -52.835
Base-Backbone interact. energy: -0.706
local terms energy: -63.614483
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -10.920
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: 8
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -139.537502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.537502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.537502 (E_RNA)
where:
Base-Base interactions energy: -82.004
where: short stacking energy: -42.395
Base-Backbone interact. energy: -0.197
local terms energy: -57.336506
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -4.660
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: 6, replica: 6
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -134.634137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.634137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.634137 (E_RNA)
where:
Base-Base interactions energy: -78.386
where: short stacking energy: -42.995
Base-Backbone interact. energy: -0.158
local terms energy: -56.089687
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -8.422
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: 2
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -170.432114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.432114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.432114 (E_RNA)
where:
Base-Base interactions energy: -102.896
where: short stacking energy: -54.724
Base-Backbone interact. energy: 0.960
local terms energy: -68.495981
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -13.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -82.139325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.139325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.139325 (E_RNA)
where:
Base-Base interactions energy: -30.420
where: short stacking energy: -28.588
Base-Backbone interact. energy: -0.148
local terms energy: -51.571283
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -10.786
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -6.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -75.643299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.643299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.643299 (E_RNA)
where:
Base-Base interactions energy: -26.474
where: short stacking energy: -25.245
Base-Backbone interact. energy: 0.816
local terms energy: -49.985795
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -4.890
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: 10, replica: 4
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -86.348442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.348442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.348442 (E_RNA)
where:
Base-Base interactions energy: -31.595
where: short stacking energy: -31.595
Base-Backbone interact. energy: -0.092
local terms energy: -54.661783
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -1.311
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: 261
Temperature: 0.900000
Total energy: -206.934713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.934713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.934713 (E_RNA)
where:
Base-Base interactions energy: -125.846
where: short stacking energy: -69.209
Base-Backbone interact. energy: -0.685
local terms energy: -80.404037
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -22.622
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: 2, replica: 9
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -203.628865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.628865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.628865 (E_RNA)
where:
Base-Base interactions energy: -124.516
where: short stacking energy: -70.172
Base-Backbone interact. energy: -0.063
local terms energy: -79.049900
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -20.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -187.998135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.998135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.998135 (E_RNA)
where:
Base-Base interactions energy: -117.559
where: short stacking energy: -67.504
Base-Backbone interact. energy: -0.000
local terms energy: -70.438431
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -20.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -152.732553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.732553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.732553 (E_RNA)
where:
Base-Base interactions energy: -84.664
where: short stacking energy: -53.563
Base-Backbone interact. energy: -0.128
local terms energy: -67.939996
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -13.032
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: 261
Temperature: 1.100000
Total energy: -161.096779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.096779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.096779 (E_RNA)
where:
Base-Base interactions energy: -98.321
where: short stacking energy: -52.721
Base-Backbone interact. energy: -0.004
local terms energy: -62.771785
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -10.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -185.860349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.860349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.860349 (E_RNA)
where:
Base-Base interactions energy: -115.569
where: short stacking energy: -53.159
Base-Backbone interact. energy: -1.132
local terms energy: -69.158528
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -18.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -132.305085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.305085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.305085 (E_RNA)
where:
Base-Base interactions energy: -77.444
where: short stacking energy: -47.896
Base-Backbone interact. energy: -0.915
local terms energy: -53.945707
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -10.386
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -5.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -99.492701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.492701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.492701 (E_RNA)
where:
Base-Base interactions energy: -34.776
where: short stacking energy: -34.763
Base-Backbone interact. energy: -1.344
local terms energy: -63.372499
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -10.858
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: 9, replica: 1
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -81.532876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.532876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.532876 (E_RNA)
where:
Base-Base interactions energy: -26.085
where: short stacking energy: -19.571
Base-Backbone interact. energy: -0.141
local terms energy: -55.307110
where:
bonds (distance) C4'-P energy: -9.333
bonds (distance) P-C4' energy: -15.528
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -5.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -66.624257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.624257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.624257 (E_RNA)
where:
Base-Base interactions energy: -21.060
where: short stacking energy: -12.671
Base-Backbone interact. energy: -0.073
local terms energy: -45.491509
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: 2.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -198.898005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.898005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.898005 (E_RNA)
where:
Base-Base interactions energy: -116.615
where: short stacking energy: -64.340
Base-Backbone interact. energy: 0.245
local terms energy: -82.527621
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -18.909
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -19.815
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: 5
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -196.060063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.060063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.060063 (E_RNA)
where:
Base-Base interactions energy: -126.666
where: short stacking energy: -69.227
Base-Backbone interact. energy: -0.010
local terms energy: -69.383884
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -5.584
tors. eta vs tors. theta energy: -18.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -188.084591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.084591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.084591 (E_RNA)
where:
Base-Base interactions energy: -111.924
where: short stacking energy: -53.921
Base-Backbone interact. energy: -0.099
local terms energy: -76.061301
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -18.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -164.275564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.275564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.275564 (E_RNA)
where:
Base-Base interactions energy: -94.872
where: short stacking energy: -53.560
Base-Backbone interact. energy: -0.328
local terms energy: -69.075583
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -10.571
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -16.314
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: 2
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -170.488272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.488272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.488272 (E_RNA)
where:
Base-Base interactions energy: -106.866
where: short stacking energy: -64.532
Base-Backbone interact. energy: -0.041
local terms energy: -63.581082
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -14.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -161.428823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.428823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.428823 (E_RNA)
where:
Base-Base interactions energy: -103.159
where: short stacking energy: -52.708
Base-Backbone interact. energy: -0.069
local terms energy: -58.200846
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -11.368
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -5.426
tors. eta vs tors. theta energy: -12.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -98.309586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.309586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.309586 (E_RNA)
where:
Base-Base interactions energy: -52.180
where: short stacking energy: -31.702
Base-Backbone interact. energy: -0.212
local terms energy: -45.917632
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -12.107
flat angles C4'-P-C4' energy: -6.062
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -9.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -80.786615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.786615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.786615 (E_RNA)
where:
Base-Base interactions energy: -25.651
where: short stacking energy: -25.651
Base-Backbone interact. energy: 0.698
local terms energy: -55.834283
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -6.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -75.674780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.674780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.674780 (E_RNA)
where:
Base-Base interactions energy: -23.297
where: short stacking energy: -19.718
Base-Backbone interact. energy: -0.280
local terms energy: -52.098663
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -9.960
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: 10, replica: 1
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -76.066953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.066953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.066953 (E_RNA)
where:
Base-Base interactions energy: -29.650
where: short stacking energy: -28.842
Base-Backbone interact. energy: -0.362
local terms energy: -46.055895
where:
bonds (distance) C4'-P energy: -5.658
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -10.061
flat angles P-C4'-P energy: -6.659
tors. eta vs tors. theta energy: -7.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -198.360127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.360127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.360127 (E_RNA)
where:
Base-Base interactions energy: -124.058
where: short stacking energy: -64.876
Base-Backbone interact. energy: -0.103
local terms energy: -74.198488
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -17.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -185.867298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.867298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.867298 (E_RNA)
where:
Base-Base interactions energy: -115.384
where: short stacking energy: -58.222
Base-Backbone interact. energy: -1.161
local terms energy: -69.322060
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -15.545
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: 10
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -177.948184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.948184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.948184 (E_RNA)
where:
Base-Base interactions energy: -107.045
where: short stacking energy: -56.215
Base-Backbone interact. energy: 0.771
local terms energy: -71.673652
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -15.859
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: 2
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -157.179185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.179185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.179185 (E_RNA)
where:
Base-Base interactions energy: -90.477
where: short stacking energy: -52.729
Base-Backbone interact. energy: -0.249
local terms energy: -66.452603
where:
bonds (distance) C4'-P energy: -17.115
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -10.758
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: 8
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -155.755635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.755635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.755635 (E_RNA)
where:
Base-Base interactions energy: -90.197
where: short stacking energy: -47.605
Base-Backbone interact. energy: -0.174
local terms energy: -65.384831
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -9.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -160.744021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.744021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.744021 (E_RNA)
where:
Base-Base interactions energy: -98.521
where: short stacking energy: -48.197
Base-Backbone interact. energy: -0.042
local terms energy: -62.180594
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -9.096
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -13.955
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: 6
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -87.498353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.498353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.498353 (E_RNA)
where:
Base-Base interactions energy: -44.001
where: short stacking energy: -24.640
Base-Backbone interact. energy: -1.133
local terms energy: -42.364777
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -5.336
tors. eta vs tors. theta energy: 0.714
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: 4
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -83.151654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.151654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.151654 (E_RNA)
where:
Base-Base interactions energy: -33.328
where: short stacking energy: -30.126
Base-Backbone interact. energy: -0.125
local terms energy: -49.699080
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -3.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -85.021170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.021170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.021170 (E_RNA)
where:
Base-Base interactions energy: -36.273
where: short stacking energy: -31.257
Base-Backbone interact. energy: -0.101
local terms energy: -48.647081
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: 0.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -88.575470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.575470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.575470 (E_RNA)
where:
Base-Base interactions energy: -36.625
where: short stacking energy: -33.508
Base-Backbone interact. energy: 0.967
local terms energy: -52.917361
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -6.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -198.351558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.351558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.351558 (E_RNA)
where:
Base-Base interactions energy: -124.225
where: short stacking energy: -66.469
Base-Backbone interact. energy: -0.193
local terms energy: -73.933208
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -17.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -192.818200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.818200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.818200 (E_RNA)
where:
Base-Base interactions energy: -117.604
where: short stacking energy: -68.360
Base-Backbone interact. energy: -0.002
local terms energy: -75.212076
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -17.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -176.215636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.215636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.215636 (E_RNA)
where:
Base-Base interactions energy: -106.816
where: short stacking energy: -58.796
Base-Backbone interact. energy: -0.048
local terms energy: -69.351985
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -18.920
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: -18.218
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: 2
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -176.522734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.522734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.522734 (E_RNA)
where:
Base-Base interactions energy: -109.652
where: short stacking energy: -59.982
Base-Backbone interact. energy: -0.856
local terms energy: -66.015273
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -14.784
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: 8
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -154.379243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.379243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.379243 (E_RNA)
where:
Base-Base interactions energy: -97.302
where: short stacking energy: -47.238
Base-Backbone interact. energy: -0.099
local terms energy: -56.977796
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -3.023
tors. eta vs tors. theta energy: -10.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -148.564264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.564264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.564264 (E_RNA)
where:
Base-Base interactions energy: -86.512
where: short stacking energy: -45.362
Base-Backbone interact. energy: -0.053
local terms energy: -61.999100
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -4.891
tors. eta vs tors. theta energy: -11.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -84.802734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.802734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.802734 (E_RNA)
where:
Base-Base interactions energy: -33.431
where: short stacking energy: -28.561
Base-Backbone interact. energy: -0.217
local terms energy: -51.155265
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -1.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -91.743642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.743642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.743642 (E_RNA)
where:
Base-Base interactions energy: -39.557
where: short stacking energy: -36.028
Base-Backbone interact. energy: -0.097
local terms energy: -52.089764
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -10.824
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -6.305
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: 9, replica: 1
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -72.301015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.301015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.301015 (E_RNA)
where:
Base-Base interactions energy: -17.081
where: short stacking energy: -14.908
Base-Backbone interact. energy: -0.248
local terms energy: -54.971884
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -0.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -75.205546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.205546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.205546 (E_RNA)
where:
Base-Base interactions energy: -34.732
where: short stacking energy: -34.732
Base-Backbone interact. energy: -0.219
local terms energy: -40.254540
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -8.064
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -4.655
tors. eta vs tors. theta energy: -1.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -199.024606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.024606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.024606 (E_RNA)
where:
Base-Base interactions energy: -118.882
where: short stacking energy: -66.204
Base-Backbone interact. energy: -0.045
local terms energy: -80.097713
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -19.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -184.591799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.591799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.591799 (E_RNA)
where:
Base-Base interactions energy: -114.469
where: short stacking energy: -57.118
Base-Backbone interact. energy: 0.437
local terms energy: -70.559460
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -14.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -186.203095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.203095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.203095 (E_RNA)
where:
Base-Base interactions energy: -114.369
where: short stacking energy: -66.315
Base-Backbone interact. energy: -0.267
local terms energy: -71.567050
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -16.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -186.373556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.373556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.373556 (E_RNA)
where:
Base-Base interactions energy: -118.243
where: short stacking energy: -63.588
Base-Backbone interact. energy: -0.009
local terms energy: -68.121202
where:
bonds (distance) C4'-P energy: -9.263
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -15.814
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: 8
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -139.863618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.863618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.863618 (E_RNA)
where:
Base-Base interactions energy: -75.354
where: short stacking energy: -42.706
Base-Backbone interact. energy: -0.135
local terms energy: -64.374272
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -10.829
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -11.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -176.551546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.551546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.551546 (E_RNA)
where:
Base-Base interactions energy: -113.035
where: short stacking energy: -56.520
Base-Backbone interact. energy: -0.117
local terms energy: -63.399620
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -10.640
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -16.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -83.721872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.721872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.721872 (E_RNA)
where:
Base-Base interactions energy: -43.089
where: short stacking energy: -25.953
Base-Backbone interact. energy: 4.248
local terms energy: -44.880753
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -8.614
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: 0.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -82.141288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.141288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.141288 (E_RNA)
where:
Base-Base interactions energy: -35.935
where: short stacking energy: -25.813
Base-Backbone interact. energy: -0.083
local terms energy: -46.122938
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -9.879
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -2.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -79.950305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.950305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.950305 (E_RNA)
where:
Base-Base interactions energy: -30.056
where: short stacking energy: -23.273
Base-Backbone interact. energy: -0.696
local terms energy: -49.198236
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -9.424
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -0.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -88.412871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.412871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.412871 (E_RNA)
where:
Base-Base interactions energy: -40.050
where: short stacking energy: -40.050
Base-Backbone interact. energy: 0.041
local terms energy: -48.403847
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -5.410
tors. eta vs tors. theta energy: -8.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -202.397279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.397279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.397279 (E_RNA)
where:
Base-Base interactions energy: -125.026
where: short stacking energy: -69.146
Base-Backbone interact. energy: -0.065
local terms energy: -77.306684
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -19.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -182.307512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.307512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.307512 (E_RNA)
where:
Base-Base interactions energy: -111.557
where: short stacking energy: -56.736
Base-Backbone interact. energy: -0.458
local terms energy: -70.292398
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -16.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -179.009050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.009050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.009050 (E_RNA)
where:
Base-Base interactions energy: -111.690
where: short stacking energy: -59.498
Base-Backbone interact. energy: -0.193
local terms energy: -67.126473
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -8.563
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -17.859
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: 2
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -180.961355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.961355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.961355 (E_RNA)
where:
Base-Base interactions energy: -114.098
where: short stacking energy: -61.410
Base-Backbone interact. energy: -0.223
local terms energy: -66.640624
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -14.988
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: 3
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -160.988125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.988125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.988125 (E_RNA)
where:
Base-Base interactions energy: -103.184
where: short stacking energy: -46.584
Base-Backbone interact. energy: 0.383
local terms energy: -58.186940
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -10.389
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -7.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -141.937338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.937338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.937338 (E_RNA)
where:
Base-Base interactions energy: -86.892
where: short stacking energy: -43.490
Base-Backbone interact. energy: -0.067
local terms energy: -54.978080
where:
bonds (distance) C4'-P energy: -9.339
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -8.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -106.275890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.275890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.275890 (E_RNA)
where:
Base-Base interactions energy: -55.562
where: short stacking energy: -23.443
Base-Backbone interact. energy: -0.931
local terms energy: -49.782878
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -12.590
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -1.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -113.180825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.180825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.180825 (E_RNA)
where:
Base-Base interactions energy: -54.932
where: short stacking energy: -37.343
Base-Backbone interact. energy: -0.342
local terms energy: -57.906804
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -6.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -93.573905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.573905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.573905 (E_RNA)
where:
Base-Base interactions energy: -32.121
where: short stacking energy: -32.121
Base-Backbone interact. energy: -0.083
local terms energy: -61.369352
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -5.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -73.397797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.397797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.397797 (E_RNA)
where:
Base-Base interactions energy: -27.135
where: short stacking energy: -25.556
Base-Backbone interact. energy: -0.412
local terms energy: -45.850314
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -6.809
flat angles P-C4'-P energy: -5.851
tors. eta vs tors. theta energy: -0.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -201.338853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.338853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.338853 (E_RNA)
where:
Base-Base interactions energy: -122.578
where: short stacking energy: -64.204
Base-Backbone interact. energy: -0.104
local terms energy: -78.657120
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -21.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -186.680031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.680031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.680031 (E_RNA)
where:
Base-Base interactions energy: -111.059
where: short stacking energy: -55.774
Base-Backbone interact. energy: 0.086
local terms energy: -75.706954
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -17.003
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -15.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -168.336054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.336054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.336054 (E_RNA)
where:
Base-Base interactions energy: -99.853
where: short stacking energy: -54.326
Base-Backbone interact. energy: -0.133
local terms energy: -68.350134
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -12.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -186.274596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.274596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.274596 (E_RNA)
where:
Base-Base interactions energy: -115.837
where: short stacking energy: -64.323
Base-Backbone interact. energy: -0.079
local terms energy: -70.359173
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -17.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -129.127476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.127476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.127476 (E_RNA)
where:
Base-Base interactions energy: -72.438
where: short stacking energy: -38.272
Base-Backbone interact. energy: -0.507
local terms energy: -56.182158
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -6.652
tors. eta vs tors. theta energy: -9.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -148.532418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.532418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.532418 (E_RNA)
where:
Base-Base interactions energy: -83.966
where: short stacking energy: -46.835
Base-Backbone interact. energy: -1.555
local terms energy: -63.011073
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -6.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -94.225200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.225200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.225200 (E_RNA)
where:
Base-Base interactions energy: -49.185
where: short stacking energy: -35.901
Base-Backbone interact. energy: -0.815
local terms energy: -44.225214
where:
bonds (distance) C4'-P energy: -10.560
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -8.857
flat angles P-C4'-P energy: -5.228
tors. eta vs tors. theta energy: -7.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -95.921712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.921712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.921712 (E_RNA)
where:
Base-Base interactions energy: -40.953
where: short stacking energy: -39.336
Base-Backbone interact. energy: -0.210
local terms energy: -54.759607
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -10.993
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: -7.472
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: 4
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -76.691787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.691787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.691787 (E_RNA)
where:
Base-Base interactions energy: -29.848
where: short stacking energy: -29.848
Base-Backbone interact. energy: -0.146
local terms energy: -46.697942
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -11.290
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -1.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -77.704633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.704633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.704633 (E_RNA)
where:
Base-Base interactions energy: -35.173
where: short stacking energy: -33.830
Base-Backbone interact. energy: -0.784
local terms energy: -41.747464
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -6.767
tors. eta vs tors. theta energy: 3.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -198.872250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.872250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.872250 (E_RNA)
where:
Base-Base interactions energy: -123.984
where: short stacking energy: -65.764
Base-Backbone interact. energy: -0.005
local terms energy: -74.883847
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -17.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -194.072694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.072694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.072694 (E_RNA)
where:
Base-Base interactions energy: -119.177
where: short stacking energy: -61.162
Base-Backbone interact. energy: -0.611
local terms energy: -74.284555
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -17.790
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: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -189.636879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.636879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.636879 (E_RNA)
where:
Base-Base interactions energy: -111.400
where: short stacking energy: -58.713
Base-Backbone interact. energy: -0.070
local terms energy: -78.167183
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -17.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -163.820209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.820209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.820209 (E_RNA)
where:
Base-Base interactions energy: -104.089
where: short stacking energy: -54.711
Base-Backbone interact. energy: -0.065
local terms energy: -59.666412
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -9.818
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: 5, replica: 8
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -166.036945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.036945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.036945 (E_RNA)
where:
Base-Base interactions energy: -96.206
where: short stacking energy: -61.678
Base-Backbone interact. energy: -0.025
local terms energy: -69.806147
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -17.299
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: 3
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -151.873096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.873096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.873096 (E_RNA)
where:
Base-Base interactions energy: -94.252
where: short stacking energy: -45.545
Base-Backbone interact. energy: -0.098
local terms energy: -57.522773
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -13.516
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -9.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -98.809601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.809601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.809601 (E_RNA)
where:
Base-Base interactions energy: -47.096
where: short stacking energy: -23.205
Base-Backbone interact. energy: -0.446
local terms energy: -51.267530
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -5.339
tors. eta vs tors. theta energy: -1.801
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: 7
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -81.135555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.135555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.135555 (E_RNA)
where:
Base-Base interactions energy: -28.446
where: short stacking energy: -26.059
Base-Backbone interact. energy: -0.102
local terms energy: -52.587557
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -11.573
flat angles P-C4'-P energy: -6.111
tors. eta vs tors. theta energy: -4.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -122.591972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.591972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.591972 (E_RNA)
where:
Base-Base interactions energy: -66.615
where: short stacking energy: -26.935
Base-Backbone interact. energy: -0.240
local terms energy: -55.736830
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -2.726
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: 4
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -70.304554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.304554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.304554 (E_RNA)
where:
Base-Base interactions energy: -30.671
where: short stacking energy: -21.546
Base-Backbone interact. energy: 0.122
local terms energy: -39.755536
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -11.727
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -9.122
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: 1, replica: 9
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -198.906049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.906049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.906049 (E_RNA)
where:
Base-Base interactions energy: -118.219
where: short stacking energy: -64.960
Base-Backbone interact. energy: -0.024
local terms energy: -80.663125
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -19.785
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: 5
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -194.368547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.368547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.368547 (E_RNA)
where:
Base-Base interactions energy: -117.109
where: short stacking energy: -62.915
Base-Backbone interact. energy: 0.582
local terms energy: -77.841652
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -13.175
tors. eta vs tors. theta energy: -16.956
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: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -180.376830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.376830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.376830 (E_RNA)
where:
Base-Base interactions energy: -109.951
where: short stacking energy: -61.840
Base-Backbone interact. energy: -0.043
local terms energy: -70.383230
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -15.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -187.879115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.879115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.879115 (E_RNA)
where:
Base-Base interactions energy: -116.861
where: short stacking energy: -62.258
Base-Backbone interact. energy: -1.123
local terms energy: -69.894825
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -14.259
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: 10
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -160.395114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.395114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.395114 (E_RNA)
where:
Base-Base interactions energy: -93.488
where: short stacking energy: -49.348
Base-Backbone interact. energy: -0.056
local terms energy: -66.851842
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -10.423
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: 3
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -150.932671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.932671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.932671 (E_RNA)
where:
Base-Base interactions energy: -90.554
where: short stacking energy: -52.733
Base-Backbone interact. energy: -0.894
local terms energy: -59.484624
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -11.179
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -11.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -87.762531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.762531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.762531 (E_RNA)
where:
Base-Base interactions energy: -41.019
where: short stacking energy: -25.547
Base-Backbone interact. energy: 4.543
local terms energy: -51.286052
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -5.070
tors. eta vs tors. theta energy: -2.292
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: 6
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -132.231122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.231122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.231122 (E_RNA)
where:
Base-Base interactions energy: -71.470
where: short stacking energy: -31.940
Base-Backbone interact. energy: -0.454
local terms energy: -60.307117
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -6.882
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: 7
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -82.165727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.165727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.165727 (E_RNA)
where:
Base-Base interactions energy: -31.170
where: short stacking energy: -28.774
Base-Backbone interact. energy: -0.302
local terms energy: -50.693124
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -7.966
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -5.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -78.636088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.636088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.636088 (E_RNA)
where:
Base-Base interactions energy: -30.749
where: short stacking energy: -27.016
Base-Backbone interact. energy: -0.475
local terms energy: -47.412203
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -9.327
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -3.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -205.044930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.044930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.044930 (E_RNA)
where:
Base-Base interactions energy: -130.983
where: short stacking energy: -58.876
Base-Backbone interact. energy: -0.413
local terms energy: -73.649047
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -13.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -194.353157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.353157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.353157 (E_RNA)
where:
Base-Base interactions energy: -122.665
where: short stacking energy: -67.144
Base-Backbone interact. energy: -0.006
local terms energy: -71.682194
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -17.429
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: 8
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -171.695766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.695766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.695766 (E_RNA)
where:
Base-Base interactions energy: -105.900
where: short stacking energy: -51.050
Base-Backbone interact. energy: -0.016
local terms energy: -65.779881
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -18.021
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -10.023
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: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -179.864905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.864905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.864905 (E_RNA)
where:
Base-Base interactions energy: -109.615
where: short stacking energy: -59.929
Base-Backbone interact. energy: 0.106
local terms energy: -70.356660
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -19.356
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: 10
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -161.914995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.914995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.914995 (E_RNA)
where:
Base-Base interactions energy: -100.248
where: short stacking energy: -49.648
Base-Backbone interact. energy: -0.089
local terms energy: -61.577645
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -10.546
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -11.755
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: 3
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -101.445633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.445633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.445633 (E_RNA)
where:
Base-Base interactions energy: -49.305
where: short stacking energy: -28.052
Base-Backbone interact. energy: 0.711
local terms energy: -52.851556
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -10.354
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -0.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -104.668389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.668389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.668389 (E_RNA)
where:
Base-Base interactions energy: -44.124
where: short stacking energy: -38.656
Base-Backbone interact. energy: 0.050
local terms energy: -60.594570
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -3.681
tors. eta vs tors. theta energy: -12.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -86.030366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.030366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.030366 (E_RNA)
where:
Base-Base interactions energy: -28.251
where: short stacking energy: -27.386
Base-Backbone interact. energy: -2.420
local terms energy: -55.359317
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -6.311
tors. eta vs tors. theta energy: -6.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -73.478933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.478933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.478933 (E_RNA)
where:
Base-Base interactions energy: -33.425
where: short stacking energy: -33.413
Base-Backbone interact. energy: -0.093
local terms energy: -39.960643
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -7.765
flat angles P-C4'-P energy: -4.834
tors. eta vs tors. theta energy: -4.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -74.467286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.467286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.467286 (E_RNA)
where:
Base-Base interactions energy: -27.753
where: short stacking energy: -24.068
Base-Backbone interact. energy: -0.217
local terms energy: -46.497359
where:
bonds (distance) C4'-P energy: -9.226
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -9.641
flat angles P-C4'-P energy: -5.587
tors. eta vs tors. theta energy: -7.073
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: 271
Temperature: 0.900000
Total energy: -205.126362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.126362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.126362 (E_RNA)
where:
Base-Base interactions energy: -134.534
where: short stacking energy: -69.564
Base-Backbone interact. energy: -0.187
local terms energy: -70.405615
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -3.656
tors. eta vs tors. theta energy: -23.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -171.196766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.196766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.196766 (E_RNA)
where:
Base-Base interactions energy: -107.701
where: short stacking energy: -58.981
Base-Backbone interact. energy: -0.025
local terms energy: -63.470738
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -10.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -197.989862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.989862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.989862 (E_RNA)
where:
Base-Base interactions energy: -124.912
where: short stacking energy: -63.972
Base-Backbone interact. energy: -0.051
local terms energy: -73.026896
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -16.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -176.379812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.379812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.379812 (E_RNA)
where:
Base-Base interactions energy: -110.798
where: short stacking energy: -56.206
Base-Backbone interact. energy: -0.222
local terms energy: -65.359781
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: -12.657
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: 2
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -187.977479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.977479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.977479 (E_RNA)
where:
Base-Base interactions energy: -120.928
where: short stacking energy: -54.443
Base-Backbone interact. energy: 0.750
local terms energy: -67.798914
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -10.503
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -18.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -104.243461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.243461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.243461 (E_RNA)
where:
Base-Base interactions energy: -43.204
where: short stacking energy: -29.816
Base-Backbone interact. energy: -0.118
local terms energy: -60.920824
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -9.958
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -8.671
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: 1
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -84.531198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.531198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.531198 (E_RNA)
where:
Base-Base interactions energy: -37.898
where: short stacking energy: -37.898
Base-Backbone interact. energy: -0.013
local terms energy: -46.620692
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -4.813
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -5.299
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: 6
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -78.613863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.613863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.613863 (E_RNA)
where:
Base-Base interactions energy: -25.577
where: short stacking energy: -25.393
Base-Backbone interact. energy: 0.107
local terms energy: -53.143762
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -8.412
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: 4
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -89.050994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.050994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.050994 (E_RNA)
where:
Base-Base interactions energy: -35.849
where: short stacking energy: -33.740
Base-Backbone interact. energy: -0.039
local terms energy: -53.162763
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -6.598
tors. eta vs tors. theta energy: -5.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -75.525990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.525990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.525990 (E_RNA)
where:
Base-Base interactions energy: -32.288
where: short stacking energy: -32.288
Base-Backbone interact. energy: -0.045
local terms energy: -43.193467
where:
bonds (distance) C4'-P energy: -5.430
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -1.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -205.036284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.036284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.036284 (E_RNA)
where:
Base-Base interactions energy: -128.074
where: short stacking energy: -63.620
Base-Backbone interact. energy: 0.144
local terms energy: -77.106882
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -20.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -183.090720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.090720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.090720 (E_RNA)
where:
Base-Base interactions energy: -106.688
where: short stacking energy: -56.787
Base-Backbone interact. energy: -0.910
local terms energy: -75.492680
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -16.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -198.964950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.964950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.964950 (E_RNA)
where:
Base-Base interactions energy: -126.481
where: short stacking energy: -63.075
Base-Backbone interact. energy: -0.331
local terms energy: -72.152770
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -17.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -167.374820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.374820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.374820 (E_RNA)
where:
Base-Base interactions energy: -106.984
where: short stacking energy: -61.112
Base-Backbone interact. energy: -0.713
local terms energy: -59.677757
where:
bonds (distance) C4'-P energy: -8.696
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -13.451
tors. eta vs tors. theta energy: -11.824
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: 5, replica: 2
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -171.246295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.246295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.246295 (E_RNA)
where:
Base-Base interactions energy: -107.430
where: short stacking energy: -53.341
Base-Backbone interact. energy: -0.125
local terms energy: -63.691130
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -13.754
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: 3
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -114.631013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.631013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.631013 (E_RNA)
where:
Base-Base interactions energy: -64.359
where: short stacking energy: -36.859
Base-Backbone interact. energy: -0.161
local terms energy: -50.110787
where:
bonds (distance) C4'-P energy: -12.896
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -4.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -83.163913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.163913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.163913 (E_RNA)
where:
Base-Base interactions energy: -31.302
where: short stacking energy: -19.988
Base-Backbone interact. energy: -0.044
local terms energy: -51.817727
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -5.181
tors. eta vs tors. theta energy: -2.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -96.114394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.114394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.114394 (E_RNA)
where:
Base-Base interactions energy: -29.265
where: short stacking energy: -28.890
Base-Backbone interact. energy: -0.024
local terms energy: -66.824638
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -11.212
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: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -80.021338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.021338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.021338 (E_RNA)
where:
Base-Base interactions energy: -31.439
where: short stacking energy: -28.992
Base-Backbone interact. energy: -0.365
local terms energy: -48.217232
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -11.436
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -2.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -82.059155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.059155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.059155 (E_RNA)
where:
Base-Base interactions energy: -39.454
where: short stacking energy: -39.454
Base-Backbone interact. energy: -0.019
local terms energy: -42.585851
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -11.003
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -2.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -201.477126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.477126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.477126 (E_RNA)
where:
Base-Base interactions energy: -121.642
where: short stacking energy: -71.912
Base-Backbone interact. energy: -0.011
local terms energy: -79.824536
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -13.793
tors. eta vs tors. theta energy: -18.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -203.972342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.972342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.972342 (E_RNA)
where:
Base-Base interactions energy: -132.952
where: short stacking energy: -66.847
Base-Backbone interact. energy: -0.508
local terms energy: -70.511885
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -17.316
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: 8
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -161.498155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.498155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.498155 (E_RNA)
where:
Base-Base interactions energy: -102.545
where: short stacking energy: -56.298
Base-Backbone interact. energy: 0.742
local terms energy: -59.695185
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -12.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -158.819556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.819556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.819556 (E_RNA)
where:
Base-Base interactions energy: -92.086
where: short stacking energy: -50.374
Base-Backbone interact. energy: -0.044
local terms energy: -66.689915
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -9.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -146.068479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.068479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.068479 (E_RNA)
where:
Base-Base interactions energy: -85.661
where: short stacking energy: -41.707
Base-Backbone interact. energy: -0.912
local terms energy: -59.495461
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -9.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -137.540371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.540371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.540371 (E_RNA)
where:
Base-Base interactions energy: -84.289
where: short stacking energy: -37.644
Base-Backbone interact. energy: -0.854
local terms energy: -52.397049
where:
bonds (distance) C4'-P energy: -9.002
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -8.032
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: 6
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -91.334956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.334956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.334956 (E_RNA)
where:
Base-Base interactions energy: -34.776
where: short stacking energy: -32.647
Base-Backbone interact. energy: 0.411
local terms energy: -56.970086
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -8.738
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -89.448847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.448847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.448847 (E_RNA)
where:
Base-Base interactions energy: -37.947
where: short stacking energy: -23.692
Base-Backbone interact. energy: -1.054
local terms energy: -50.447340
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -8.815
flat angles P-C4'-P energy: -8.772
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: 9, replica: 7
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -89.489683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.489683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.489683 (E_RNA)
where:
Base-Base interactions energy: -39.124
where: short stacking energy: -39.124
Base-Backbone interact. energy: -0.457
local terms energy: -49.908724
where:
bonds (distance) C4'-P energy: -9.731
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -6.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -122.547023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.547023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.547023 (E_RNA)
where:
Base-Base interactions energy: -67.650
where: short stacking energy: -31.987
Base-Backbone interact. energy: -0.463
local terms energy: -54.433756
where:
bonds (distance) C4'-P energy: -6.994
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -12.719
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: 5
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -198.450681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.450681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.450681 (E_RNA)
where:
Base-Base interactions energy: -130.463
where: short stacking energy: -66.219
Base-Backbone interact. energy: -0.044
local terms energy: -67.943721
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -16.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -201.908196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.908196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.908196 (E_RNA)
where:
Base-Base interactions energy: -124.008
where: short stacking energy: -68.313
Base-Backbone interact. energy: -0.960
local terms energy: -76.940757
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -19.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -169.931798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.931798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.931798 (E_RNA)
where:
Base-Base interactions energy: -108.756
where: short stacking energy: -58.215
Base-Backbone interact. energy: -0.039
local terms energy: -61.136720
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -13.468
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -12.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -171.671127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.671127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.671127 (E_RNA)
where:
Base-Base interactions energy: -111.751
where: short stacking energy: -53.784
Base-Backbone interact. energy: -0.909
local terms energy: -59.011006
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -11.380
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: 274
Temperature: 1.100000
Total energy: -164.574909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.574909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.574909 (E_RNA)
where:
Base-Base interactions energy: -97.885
where: short stacking energy: -60.131
Base-Backbone interact. energy: -1.023
local terms energy: -65.667339
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -5.154
tors. eta vs tors. theta energy: -17.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -134.486690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.486690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.486690 (E_RNA)
where:
Base-Base interactions energy: -80.675
where: short stacking energy: -41.413
Base-Backbone interact. energy: 0.289
local terms energy: -54.100483
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -9.387
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -6.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -88.032069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.032069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.032069 (E_RNA)
where:
Base-Base interactions energy: -28.040
where: short stacking energy: -28.240
Base-Backbone interact. energy: -0.161
local terms energy: -59.830948
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -2.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -90.478799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.478799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.478799 (E_RNA)
where:
Base-Base interactions energy: -31.063
where: short stacking energy: -31.063
Base-Backbone interact. energy: -0.165
local terms energy: -59.250517
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -10.320
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -6.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -78.750423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.750423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.750423 (E_RNA)
where:
Base-Base interactions energy: -29.814
where: short stacking energy: -29.814
Base-Backbone interact. energy: -0.199
local terms energy: -48.737820
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -6.400
tors. eta vs tors. theta energy: -3.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -75.439633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.439633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.439633 (E_RNA)
where:
Base-Base interactions energy: -28.164
where: short stacking energy: -25.349
Base-Backbone interact. energy: -0.068
local terms energy: -47.207484
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -8.854
flat angles P-C4'-P energy: -12.473
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: 1, replica: 5
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -201.104462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.104462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.104462 (E_RNA)
where:
Base-Base interactions energy: -129.441
where: short stacking energy: -63.063
Base-Backbone interact. energy: -0.244
local terms energy: -71.419891
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -16.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -197.357079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.357079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.357079 (E_RNA)
where:
Base-Base interactions energy: -129.567
where: short stacking energy: -60.305
Base-Backbone interact. energy: -0.276
local terms energy: -67.513721
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -17.836
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -15.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -177.303454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.303454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.303454 (E_RNA)
where:
Base-Base interactions energy: -104.528
where: short stacking energy: -55.512
Base-Backbone interact. energy: -0.040
local terms energy: -72.734730
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -16.021
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -13.177
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: 2
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -195.421588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.421588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.421588 (E_RNA)
where:
Base-Base interactions energy: -120.326
where: short stacking energy: -59.355
Base-Backbone interact. energy: -0.046
local terms energy: -75.049632
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -17.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -174.093517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.093517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.093517 (E_RNA)
where:
Base-Base interactions energy: -110.822
where: short stacking energy: -55.945
Base-Backbone interact. energy: -0.100
local terms energy: -63.171814
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -8.707
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -13.727
tors. eta vs tors. theta energy: -14.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -135.351519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.351519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.351519 (E_RNA)
where:
Base-Base interactions energy: -80.549
where: short stacking energy: -39.262
Base-Backbone interact. energy: 0.498
local terms energy: -55.300447
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -6.288
tors. eta vs tors. theta energy: -9.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -104.155852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.155852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.155852 (E_RNA)
where:
Base-Base interactions energy: -40.477
where: short stacking energy: -33.694
Base-Backbone interact. energy: -0.044
local terms energy: -63.635031
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -6.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -85.925763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.925763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.925763 (E_RNA)
where:
Base-Base interactions energy: -36.907
where: short stacking energy: -34.519
Base-Backbone interact. energy: -0.054
local terms energy: -48.964791
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -5.515
flat angles P-C4'-P energy: -3.177
tors. eta vs tors. theta energy: -11.632
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: 1
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -79.908679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.908679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.908679 (E_RNA)
where:
Base-Base interactions energy: -34.794
where: short stacking energy: -32.589
Base-Backbone interact. energy: -0.022
local terms energy: -45.092821
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -7.219
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -5.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -71.875857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.875857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.875857 (E_RNA)
where:
Base-Base interactions energy: -17.890
where: short stacking energy: -17.890
Base-Backbone interact. energy: -0.194
local terms energy: -53.792068
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -0.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -202.807657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.807657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.807657 (E_RNA)
where:
Base-Base interactions energy: -127.529
where: short stacking energy: -65.098
Base-Backbone interact. energy: -1.523
local terms energy: -73.755636
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -14.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -193.764115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.764115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.764115 (E_RNA)
where:
Base-Base interactions energy: -121.410
where: short stacking energy: -59.684
Base-Backbone interact. energy: -0.322
local terms energy: -72.031856
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -15.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -177.270887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.270887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.270887 (E_RNA)
where:
Base-Base interactions energy: -109.460
where: short stacking energy: -62.022
Base-Backbone interact. energy: -0.028
local terms energy: -67.782029
where:
bonds (distance) C4'-P energy: -10.181
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -14.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -164.827751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.827751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.827751 (E_RNA)
where:
Base-Base interactions energy: -94.018
where: short stacking energy: -47.008
Base-Backbone interact. energy: 0.591
local terms energy: -71.400522
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -12.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -152.691492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.691492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.691492 (E_RNA)
where:
Base-Base interactions energy: -88.021
where: short stacking energy: -42.153
Base-Backbone interact. energy: -0.229
local terms energy: -64.442305
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -8.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -146.836262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.836262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.836262 (E_RNA)
where:
Base-Base interactions energy: -84.165
where: short stacking energy: -51.184
Base-Backbone interact. energy: 0.678
local terms energy: -63.350028
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -15.894
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -9.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -94.443955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.443955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.443955 (E_RNA)
where:
Base-Base interactions energy: -43.505
where: short stacking energy: -29.225
Base-Backbone interact. energy: 0.047
local terms energy: -50.985752
where:
bonds (distance) C4'-P energy: -8.261
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -6.787
tors. eta vs tors. theta energy: -3.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -85.439007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.439007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.439007 (E_RNA)
where:
Base-Base interactions energy: -30.589
where: short stacking energy: -30.589
Base-Backbone interact. energy: -0.100
local terms energy: -54.749930
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -3.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -76.764239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.764239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.764239 (E_RNA)
where:
Base-Base interactions energy: -26.214
where: short stacking energy: -26.214
Base-Backbone interact. energy: -0.243
local terms energy: -50.307135
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -6.174
tors. eta vs tors. theta energy: -1.444
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: 1
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -77.481028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.481028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.481028 (E_RNA)
where:
Base-Base interactions energy: -30.266
where: short stacking energy: -26.346
Base-Backbone interact. energy: 0.267
local terms energy: -47.482263
where:
bonds (distance) C4'-P energy: -9.376
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -10.791
flat angles P-C4'-P energy: -7.644
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: 5
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -192.585978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.585978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.585978 (E_RNA)
where:
Base-Base interactions energy: -118.625
where: short stacking energy: -61.183
Base-Backbone interact. energy: -0.089
local terms energy: -73.871652
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -13.112
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: 9
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -206.606639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.606639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.606639 (E_RNA)
where:
Base-Base interactions energy: -130.037
where: short stacking energy: -68.155
Base-Backbone interact. energy: -1.279
local terms energy: -75.291000
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -19.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -193.351676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.351676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.351676 (E_RNA)
where:
Base-Base interactions energy: -124.148
where: short stacking energy: -64.376
Base-Backbone interact. energy: -0.205
local terms energy: -68.997952
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -15.304
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: 8
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -174.458278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.458278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.458278 (E_RNA)
where:
Base-Base interactions energy: -107.632
where: short stacking energy: -58.596
Base-Backbone interact. energy: -0.081
local terms energy: -66.745277
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -12.463
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -17.318
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: 10
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -164.334128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.334128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.334128 (E_RNA)
where:
Base-Base interactions energy: -99.246
where: short stacking energy: -56.055
Base-Backbone interact. energy: -1.688
local terms energy: -63.399559
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -12.741
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -12.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -155.101838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.101838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.101838 (E_RNA)
where:
Base-Base interactions energy: -101.091
where: short stacking energy: -50.907
Base-Backbone interact. energy: -0.052
local terms energy: -53.959259
where:
bonds (distance) C4'-P energy: -11.347
bonds (distance) P-C4' energy: -10.923
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -11.560
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: 7, replica: 7
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -87.498822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.498822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.498822 (E_RNA)
where:
Base-Base interactions energy: -37.941
where: short stacking energy: -31.393
Base-Backbone interact. energy: 0.455
local terms energy: -50.012899
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -4.141
tors. eta vs tors. theta energy: 1.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -87.506394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.506394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.506394 (E_RNA)
where:
Base-Base interactions energy: -38.050
where: short stacking energy: -34.238
Base-Backbone interact. energy: -0.277
local terms energy: -49.179160
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -9.596
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -5.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -75.825193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.825193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.825193 (E_RNA)
where:
Base-Base interactions energy: -25.601
where: short stacking energy: -24.864
Base-Backbone interact. energy: -0.042
local terms energy: -50.181960
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -5.379
tors. eta vs tors. theta energy: -4.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -76.615919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.615919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.615919 (E_RNA)
where:
Base-Base interactions energy: -34.506
where: short stacking energy: -32.071
Base-Backbone interact. energy: -0.077
local terms energy: -42.032831
where:
bonds (distance) C4'-P energy: -10.329
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -5.477
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -2.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -206.231451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.231451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.231451 (E_RNA)
where:
Base-Base interactions energy: -126.494
where: short stacking energy: -69.964
Base-Backbone interact. energy: -0.012
local terms energy: -79.725759
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -20.630
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: 5
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -201.111712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.111712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.111712 (E_RNA)
where:
Base-Base interactions energy: -124.444
where: short stacking energy: -65.354
Base-Backbone interact. energy: -1.425
local terms energy: -75.241746
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -18.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -197.110195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.110195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.110195 (E_RNA)
where:
Base-Base interactions energy: -128.348
where: short stacking energy: -61.681
Base-Backbone interact. energy: -0.177
local terms energy: -68.585403
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -14.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -185.010427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.010427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.010427 (E_RNA)
where:
Base-Base interactions energy: -121.219
where: short stacking energy: -61.283
Base-Backbone interact. energy: -1.106
local terms energy: -62.685184
where:
bonds (distance) C4'-P energy: -9.007
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -13.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -167.864259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.864259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.864259 (E_RNA)
where:
Base-Base interactions energy: -98.167
where: short stacking energy: -53.060
Base-Backbone interact. energy: 0.822
local terms energy: -70.519878
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -5.672
tors. eta vs tors. theta energy: -14.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -148.868671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.868671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.868671 (E_RNA)
where:
Base-Base interactions energy: -87.411
where: short stacking energy: -44.141
Base-Backbone interact. energy: 0.235
local terms energy: -61.692991
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -10.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -97.440887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.440887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.440887 (E_RNA)
where:
Base-Base interactions energy: -39.786
where: short stacking energy: -36.178
Base-Backbone interact. energy: -0.419
local terms energy: -57.235706
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -7.090
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: 7
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -87.724331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.724331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.724331 (E_RNA)
where:
Base-Base interactions energy: -39.642
where: short stacking energy: -33.335
Base-Backbone interact. energy: -0.525
local terms energy: -47.557886
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -10.133
flat angles P-C4'-P energy: -1.243
tors. eta vs tors. theta energy: -5.635
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: 9, replica: 1
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -88.678237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.678237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.678237 (E_RNA)
where:
Base-Base interactions energy: -40.929
where: short stacking energy: -35.695
Base-Backbone interact. energy: 0.686
local terms energy: -48.435439
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -7.327
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: 4
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -83.367493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.367493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.367493 (E_RNA)
where:
Base-Base interactions energy: -34.326
where: short stacking energy: -30.819
Base-Backbone interact. energy: -0.098
local terms energy: -48.943458
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -1.024
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: 279
Temperature: 0.900000
Total energy: -209.224455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.224455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.224455 (E_RNA)
where:
Base-Base interactions energy: -128.405
where: short stacking energy: -69.485
Base-Backbone interact. energy: -0.029
local terms energy: -80.790036
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -22.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -200.000908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.000908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.000908 (E_RNA)
where:
Base-Base interactions energy: -132.330
where: short stacking energy: -55.987
Base-Backbone interact. energy: -0.513
local terms energy: -67.157008
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -11.987
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: 3, replica: 5
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -195.419779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.419779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.419779 (E_RNA)
where:
Base-Base interactions energy: -117.792
where: short stacking energy: -70.804
Base-Backbone interact. energy: -0.000
local terms energy: -77.627169
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -17.633
flat angles C4'-P-C4' energy: -12.004
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -22.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -192.718768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.718768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.718768 (E_RNA)
where:
Base-Base interactions energy: -125.869
where: short stacking energy: -63.906
Base-Backbone interact. energy: -0.589
local terms energy: -66.260161
where:
bonds (distance) C4'-P energy: -10.954
bonds (distance) P-C4' energy: -10.844
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -11.463
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: 5, replica: 10
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -171.832217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.832217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.832217 (E_RNA)
where:
Base-Base interactions energy: -112.358
where: short stacking energy: -48.958
Base-Backbone interact. energy: 1.833
local terms energy: -61.307711
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -8.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -154.152386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.152386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.152386 (E_RNA)
where:
Base-Base interactions energy: -103.569
where: short stacking energy: -54.814
Base-Backbone interact. energy: -0.346
local terms energy: -50.237114
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -4.871
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -10.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -94.399991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.399991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.399991 (E_RNA)
where:
Base-Base interactions energy: -44.758
where: short stacking energy: -40.852
Base-Backbone interact. energy: -0.889
local terms energy: -48.753111
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -2.846
tors. eta vs tors. theta energy: -6.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -81.883385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.883385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.883385 (E_RNA)
where:
Base-Base interactions energy: -31.940
where: short stacking energy: -29.607
Base-Backbone interact. energy: -0.250
local terms energy: -49.694092
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -0.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -87.681964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.681964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.681964 (E_RNA)
where:
Base-Base interactions energy: -27.047
where: short stacking energy: -25.752
Base-Backbone interact. energy: -0.095
local terms energy: -60.540305
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -7.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -71.852315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.852315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.852315 (E_RNA)
where:
Base-Base interactions energy: -33.478
where: short stacking energy: -32.865
Base-Backbone interact. energy: -0.039
local terms energy: -38.334751
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -10.195
flat angles P-C4'-P energy: -2.782
tors. eta vs tors. theta energy: 0.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -211.232593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.232593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.232593 (E_RNA)
where:
Base-Base interactions energy: -127.827
where: short stacking energy: -56.746
Base-Backbone interact. energy: -0.070
local terms energy: -83.335860
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -17.653
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: 9
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -199.748641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.748641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.748641 (E_RNA)
where:
Base-Base interactions energy: -129.045
where: short stacking energy: -66.853
Base-Backbone interact. energy: -0.005
local terms energy: -70.699532
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -11.718
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: 3, replica: 5
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -185.055434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.055434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.055434 (E_RNA)
where:
Base-Base interactions energy: -116.499
where: short stacking energy: -59.867
Base-Backbone interact. energy: -0.109
local terms energy: -68.447600
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -18.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -183.556803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.556803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.556803 (E_RNA)
where:
Base-Base interactions energy: -114.160
where: short stacking energy: -56.435
Base-Backbone interact. energy: -0.044
local terms energy: -69.352209
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -15.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -151.021293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.021293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.021293 (E_RNA)
where:
Base-Base interactions energy: -89.304
where: short stacking energy: -53.951
Base-Backbone interact. energy: -0.140
local terms energy: -61.577304
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -13.117
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: 10
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -178.709135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.709135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.709135 (E_RNA)
where:
Base-Base interactions energy: -117.637
where: short stacking energy: -53.615
Base-Backbone interact. energy: -0.406
local terms energy: -60.665404
where:
bonds (distance) C4'-P energy: -10.255
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -11.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -82.065898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.065898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.065898 (E_RNA)
where:
Base-Base interactions energy: -32.437
where: short stacking energy: -25.942
Base-Backbone interact. energy: -0.238
local terms energy: -49.391302
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -0.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -78.601217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.601217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.601217 (E_RNA)
where:
Base-Base interactions energy: -29.222
where: short stacking energy: -21.711
Base-Backbone interact. energy: -0.522
local terms energy: -48.857751
where:
bonds (distance) C4'-P energy: -10.068
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -8.093
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -4.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -85.910938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.910938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.910938 (E_RNA)
where:
Base-Base interactions energy: -35.677
where: short stacking energy: -35.677
Base-Backbone interact. energy: -0.018
local terms energy: -50.215693
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -5.784
tors. eta vs tors. theta energy: -6.238
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: 1
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -75.521934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.521934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.521934 (E_RNA)
where:
Base-Base interactions energy: -27.559
where: short stacking energy: -20.638
Base-Backbone interact. energy: -0.684
local terms energy: -47.279578
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -5.664
tors. eta vs tors. theta energy: 0.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -215.433167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.433167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.433167 (E_RNA)
where:
Base-Base interactions energy: -134.439
where: short stacking energy: -65.951
Base-Backbone interact. energy: -0.011
local terms energy: -80.983084
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -19.987
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: 9
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -199.856158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.856158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.856158 (E_RNA)
where:
Base-Base interactions energy: -133.641
where: short stacking energy: -64.931
Base-Backbone interact. energy: -0.127
local terms energy: -66.088744
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -15.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -160.094037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.094037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.094037 (E_RNA)
where:
Base-Base interactions energy: -97.735
where: short stacking energy: -47.338
Base-Backbone interact. energy: -0.429
local terms energy: -61.930149
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -8.839
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: 2
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -178.671011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.671011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.671011 (E_RNA)
where:
Base-Base interactions energy: -114.724
where: short stacking energy: -49.601
Base-Backbone interact. energy: -0.337
local terms energy: -63.609658
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -4.824
tors. eta vs tors. theta energy: -10.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -150.723967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.723967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.723967 (E_RNA)
where:
Base-Base interactions energy: -83.174
where: short stacking energy: -31.884
Base-Backbone interact. energy: -0.084
local terms energy: -67.465907
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -10.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -158.214818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.214818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.214818 (E_RNA)
where:
Base-Base interactions energy: -98.727
where: short stacking energy: -52.086
Base-Backbone interact. energy: -0.003
local terms energy: -59.485056
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -5.387
tors. eta vs tors. theta energy: -13.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -86.691081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.691081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.691081 (E_RNA)
where:
Base-Base interactions energy: -28.475
where: short stacking energy: -28.475
Base-Backbone interact. energy: -0.065
local terms energy: -58.151739
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -8.832
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: 8, replica: 4
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -71.044207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.044207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.044207 (E_RNA)
where:
Base-Base interactions energy: -30.560
where: short stacking energy: -25.103
Base-Backbone interact. energy: -0.075
local terms energy: -40.409878
where:
bonds (distance) C4'-P energy: -0.763
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -5.321
tors. eta vs tors. theta energy: -2.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -83.871199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.871199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.871199 (E_RNA)
where:
Base-Base interactions energy: -33.419
where: short stacking energy: -32.661
Base-Backbone interact. energy: -0.116
local terms energy: -50.336296
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -8.536
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -5.393
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: 10, replica: 1
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -71.053725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.053725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.053725 (E_RNA)
where:
Base-Base interactions energy: -24.323
where: short stacking energy: -21.459
Base-Backbone interact. energy: 0.932
local terms energy: -47.662483
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -0.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -210.480845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.480845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.480845 (E_RNA)
where:
Base-Base interactions energy: -137.929
where: short stacking energy: -65.489
Base-Backbone interact. energy: -0.065
local terms energy: -72.486705
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -12.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -197.905850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.905850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.905850 (E_RNA)
where:
Base-Base interactions energy: -128.732
where: short stacking energy: -62.643
Base-Backbone interact. energy: -0.275
local terms energy: -68.899339
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -12.724
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -16.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -186.167396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.167396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.167396 (E_RNA)
where:
Base-Base interactions energy: -115.139
where: short stacking energy: -57.642
Base-Backbone interact. energy: -0.345
local terms energy: -70.684078
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -4.575
tors. eta vs tors. theta energy: -17.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -160.996077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.996077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.996077 (E_RNA)
where:
Base-Base interactions energy: -106.059
where: short stacking energy: -41.087
Base-Backbone interact. energy: -0.253
local terms energy: -54.683562
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -7.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -158.117112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.117112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.117112 (E_RNA)
where:
Base-Base interactions energy: -87.909
where: short stacking energy: -47.783
Base-Backbone interact. energy: -0.183
local terms energy: -70.025050
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -13.228
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: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -144.794718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.794718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.794718 (E_RNA)
where:
Base-Base interactions energy: -83.938
where: short stacking energy: -40.275
Base-Backbone interact. energy: -0.481
local terms energy: -60.375834
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -6.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -89.057893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.057893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.057893 (E_RNA)
where:
Base-Base interactions energy: -37.716
where: short stacking energy: -37.716
Base-Backbone interact. energy: -0.166
local terms energy: -51.175593
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -5.455
tors. eta vs tors. theta energy: -4.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -85.764090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.764090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.764090 (E_RNA)
where:
Base-Base interactions energy: -29.522
where: short stacking energy: -20.177
Base-Backbone interact. energy: -0.237
local terms energy: -56.004528
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -17.754
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -6.089
tors. eta vs tors. theta energy: -1.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -86.116649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.116649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.116649 (E_RNA)
where:
Base-Base interactions energy: -32.936
where: short stacking energy: -30.520
Base-Backbone interact. energy: -1.329
local terms energy: -51.851443
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -7.170
flat angles P-C4'-P energy: -5.980
tors. eta vs tors. theta energy: -7.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -80.640747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.640747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.640747 (E_RNA)
where:
Base-Base interactions energy: -33.633
where: short stacking energy: -33.633
Base-Backbone interact. energy: -0.264
local terms energy: -46.743601
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -3.201
tors. eta vs tors. theta energy: -1.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -210.097708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.097708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.097708 (E_RNA)
where:
Base-Base interactions energy: -130.447
where: short stacking energy: -63.056
Base-Backbone interact. energy: -0.460
local terms energy: -79.190837
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -16.652
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -18.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -193.565756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.565756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.565756 (E_RNA)
where:
Base-Base interactions energy: -114.694
where: short stacking energy: -60.676
Base-Backbone interact. energy: -0.019
local terms energy: -78.852616
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -19.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -178.757784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.757784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.757784 (E_RNA)
where:
Base-Base interactions energy: -115.110
where: short stacking energy: -64.819
Base-Backbone interact. energy: -0.602
local terms energy: -63.045347
where:
bonds (distance) C4'-P energy: -6.518
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -16.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -165.642053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.642053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.642053 (E_RNA)
where:
Base-Base interactions energy: -102.944
where: short stacking energy: -55.652
Base-Backbone interact. energy: -0.575
local terms energy: -62.122571
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -6.078
tors. eta vs tors. theta energy: -14.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -130.769815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.769815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.769815 (E_RNA)
where:
Base-Base interactions energy: -73.064
where: short stacking energy: -36.421
Base-Backbone interact. energy: -0.258
local terms energy: -57.447563
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -9.439
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: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -162.031547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.031547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.031547 (E_RNA)
where:
Base-Base interactions energy: -95.839
where: short stacking energy: -46.421
Base-Backbone interact. energy: 1.488
local terms energy: -67.680652
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -9.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -85.987787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.987787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.987787 (E_RNA)
where:
Base-Base interactions energy: -34.486
where: short stacking energy: -31.664
Base-Backbone interact. energy: -0.011
local terms energy: -51.490754
where:
bonds (distance) C4'-P energy: -9.073
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -7.214
tors. eta vs tors. theta energy: -5.865
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: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -85.617656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.617656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.617656 (E_RNA)
where:
Base-Base interactions energy: -30.245
where: short stacking energy: -30.245
Base-Backbone interact. energy: -0.249
local terms energy: -55.123678
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -6.394
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: 7
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -72.302688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.302688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.302688 (E_RNA)
where:
Base-Base interactions energy: -26.390
where: short stacking energy: -22.035
Base-Backbone interact. energy: -0.171
local terms energy: -45.742246
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -11.002
flat angles P-C4'-P energy: -6.888
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: 1
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -75.938369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.938369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.938369 (E_RNA)
where:
Base-Base interactions energy: -35.217
where: short stacking energy: -30.422
Base-Backbone interact. energy: -0.273
local terms energy: -40.447564
where:
bonds (distance) C4'-P energy: -9.320
bonds (distance) P-C4' energy: -8.910
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -4.090
tors. eta vs tors. theta energy: -2.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -195.526900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.526900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.526900 (E_RNA)
where:
Base-Base interactions energy: -123.444
where: short stacking energy: -62.493
Base-Backbone interact. energy: -0.725
local terms energy: -71.358297
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -17.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -195.345202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.345202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.345202 (E_RNA)
where:
Base-Base interactions energy: -121.048
where: short stacking energy: -58.465
Base-Backbone interact. energy: -0.187
local terms energy: -74.109996
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -17.395
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: 3, replica: 5
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -170.088886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.088886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.088886 (E_RNA)
where:
Base-Base interactions energy: -103.113
where: short stacking energy: -60.353
Base-Backbone interact. energy: -0.076
local terms energy: -66.899700
where:
bonds (distance) C4'-P energy: -11.294
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -12.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -171.109327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.109327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.109327 (E_RNA)
where:
Base-Base interactions energy: -104.838
where: short stacking energy: -53.516
Base-Backbone interact. energy: -0.103
local terms energy: -66.168340
where:
bonds (distance) C4'-P energy: -8.704
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -15.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -136.241334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.241334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.241334 (E_RNA)
where:
Base-Base interactions energy: -75.776
where: short stacking energy: -44.203
Base-Backbone interact. energy: -0.594
local terms energy: -59.871856
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -13.009
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -8.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -164.480665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.480665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.480665 (E_RNA)
where:
Base-Base interactions energy: -94.530
where: short stacking energy: -58.336
Base-Backbone interact. energy: -0.837
local terms energy: -69.113012
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -11.634
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -15.085
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: 6
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -80.784548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.784548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.784548 (E_RNA)
where:
Base-Base interactions energy: -32.513
where: short stacking energy: -31.512
Base-Backbone interact. energy: -0.203
local terms energy: -48.068447
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -8.877
flat angles P-C4'-P energy: -10.645
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: 8, replica: 4
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -97.153974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.153974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.153974 (E_RNA)
where:
Base-Base interactions energy: -42.063
where: short stacking energy: -40.209
Base-Backbone interact. energy: -0.040
local terms energy: -55.050142
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -4.179
tors. eta vs tors. theta energy: -7.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -87.862462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.862462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.862462 (E_RNA)
where:
Base-Base interactions energy: -37.637
where: short stacking energy: -36.569
Base-Backbone interact. energy: -0.895
local terms energy: -49.330257
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -5.179
tors. eta vs tors. theta energy: -5.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -74.515123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.515123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.515123 (E_RNA)
where:
Base-Base interactions energy: -20.018
where: short stacking energy: -19.583
Base-Backbone interact. energy: -0.062
local terms energy: -54.435713
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -4.670
tors. eta vs tors. theta energy: -4.114
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: 1, replica: 9
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -186.755965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.755965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.755965 (E_RNA)
where:
Base-Base interactions energy: -119.674
where: short stacking energy: -57.632
Base-Backbone interact. energy: -0.085
local terms energy: -66.996616
where:
bonds (distance) C4'-P energy: -7.585
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -18.207
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: 5
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -174.470902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.470902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.470902 (E_RNA)
where:
Base-Base interactions energy: -105.995
where: short stacking energy: -58.922
Base-Backbone interact. energy: -1.269
local terms energy: -67.206287
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -11.194
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -14.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -187.895335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.895335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.895335 (E_RNA)
where:
Base-Base interactions energy: -115.941
where: short stacking energy: -53.400
Base-Backbone interact. energy: 0.246
local terms energy: -72.200494
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -14.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -134.981219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.981219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.981219 (E_RNA)
where:
Base-Base interactions energy: -72.306
where: short stacking energy: -41.406
Base-Backbone interact. energy: -0.153
local terms energy: -62.522381
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -10.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -172.722710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.722710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.722710 (E_RNA)
where:
Base-Base interactions energy: -105.071
where: short stacking energy: -48.411
Base-Backbone interact. energy: -0.387
local terms energy: -67.264448
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -13.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -154.659970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.659970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.659970 (E_RNA)
where:
Base-Base interactions energy: -93.839
where: short stacking energy: -38.231
Base-Backbone interact. energy: 0.286
local terms energy: -61.106995
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -16.658
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -8.443
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: 7, replica: 6
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -102.604030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.604030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.604030 (E_RNA)
where:
Base-Base interactions energy: -33.415
where: short stacking energy: -32.206
Base-Backbone interact. energy: -0.245
local terms energy: -68.944184
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -10.901
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: 7
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -104.402042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.402042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.402042 (E_RNA)
where:
Base-Base interactions energy: -47.842
where: short stacking energy: -40.630
Base-Backbone interact. energy: -0.030
local terms energy: -56.530074
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -9.826
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: 9, replica: 4
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -82.155239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.155239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.155239 (E_RNA)
where:
Base-Base interactions energy: -28.237
where: short stacking energy: -27.023
Base-Backbone interact. energy: -0.004
local terms energy: -53.913448
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -5.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -69.285889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.285889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.285889 (E_RNA)
where:
Base-Base interactions energy: -26.832
where: short stacking energy: -26.832
Base-Backbone interact. energy: 2.327
local terms energy: -44.780351
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -5.795
tors. eta vs tors. theta energy: -1.924
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: 1, replica: 5
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -191.515589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.515589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.515589 (E_RNA)
where:
Base-Base interactions energy: -119.597
where: short stacking energy: -60.086
Base-Backbone interact. energy: -0.986
local terms energy: -70.932075
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -17.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -194.178189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.178189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.178189 (E_RNA)
where:
Base-Base interactions energy: -119.690
where: short stacking energy: -66.240
Base-Backbone interact. energy: -0.021
local terms energy: -74.467318
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -18.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -193.032979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.032979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.032979 (E_RNA)
where:
Base-Base interactions energy: -122.545
where: short stacking energy: -71.997
Base-Backbone interact. energy: -0.186
local terms energy: -70.302308
where:
bonds (distance) C4'-P energy: -8.399
bonds (distance) P-C4' energy: -13.217
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -20.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -149.825516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.825516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.825516 (E_RNA)
where:
Base-Base interactions energy: -96.669
where: short stacking energy: -39.837
Base-Backbone interact. energy: -0.123
local terms energy: -53.033707
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -6.985
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: 5, replica: 2
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -173.876500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.876500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.876500 (E_RNA)
where:
Base-Base interactions energy: -106.276
where: short stacking energy: -50.769
Base-Backbone interact. energy: 0.102
local terms energy: -67.702890
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -13.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -162.224088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.224088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.224088 (E_RNA)
where:
Base-Base interactions energy: -104.901
where: short stacking energy: -51.748
Base-Backbone interact. energy: 0.484
local terms energy: -57.806649
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -11.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -84.112199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.112199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.112199 (E_RNA)
where:
Base-Base interactions energy: -38.742
where: short stacking energy: -30.010
Base-Backbone interact. energy: -0.436
local terms energy: -44.934816
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -10.694
flat angles C4'-P-C4' energy: -9.193
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -0.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -90.062631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.062631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.062631 (E_RNA)
where:
Base-Base interactions energy: -38.325
where: short stacking energy: -20.632
Base-Backbone interact. energy: -0.083
local terms energy: -51.654541
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: 0.614
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: 1
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -83.314425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.314425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.314425 (E_RNA)
where:
Base-Base interactions energy: -33.315
where: short stacking energy: -19.076
Base-Backbone interact. energy: -0.042
local terms energy: -49.957027
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -1.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -71.430148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.430148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.430148 (E_RNA)
where:
Base-Base interactions energy: -23.736
where: short stacking energy: -23.836
Base-Backbone interact. energy: -0.307
local terms energy: -47.386606
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -183.244169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.244169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.244169 (E_RNA)
where:
Base-Base interactions energy: -108.407
where: short stacking energy: -59.944
Base-Backbone interact. energy: -0.435
local terms energy: -74.401685
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -16.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -185.349233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.349233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.349233 (E_RNA)
where:
Base-Base interactions energy: -117.630
where: short stacking energy: -58.302
Base-Backbone interact. energy: -0.066
local terms energy: -67.652736
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -17.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -185.273633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.273633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.273633 (E_RNA)
where:
Base-Base interactions energy: -109.646
where: short stacking energy: -55.047
Base-Backbone interact. energy: -0.019
local terms energy: -75.607946
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -17.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -166.267005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.267005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.267005 (E_RNA)
where:
Base-Base interactions energy: -100.995
where: short stacking energy: -53.497
Base-Backbone interact. energy: -0.040
local terms energy: -65.231691
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -10.211
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: 5, replica: 10
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -136.736722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.736722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.736722 (E_RNA)
where:
Base-Base interactions energy: -90.814
where: short stacking energy: -40.598
Base-Backbone interact. energy: -0.011
local terms energy: -45.910850
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -5.572
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -7.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -160.438402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.438402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.438402 (E_RNA)
where:
Base-Base interactions energy: -101.590
where: short stacking energy: -50.899
Base-Backbone interact. energy: -0.018
local terms energy: -58.830181
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -8.920
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -13.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -99.644341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.644341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.644341 (E_RNA)
where:
Base-Base interactions energy: -48.007
where: short stacking energy: -38.453
Base-Backbone interact. energy: -0.013
local terms energy: -51.623629
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -10.380
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -6.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -90.870114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.870114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.870114 (E_RNA)
where:
Base-Base interactions energy: -35.974
where: short stacking energy: -18.478
Base-Backbone interact. energy: -0.218
local terms energy: -54.677888
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -0.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -71.176894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.176894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.176894 (E_RNA)
where:
Base-Base interactions energy: -34.100
where: short stacking energy: -31.781
Base-Backbone interact. energy: 0.709
local terms energy: -37.785734
where:
bonds (distance) C4'-P energy: -6.807
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -9.412
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: 0.303
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: 10, replica: 4
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -68.654966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.654966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.654966 (E_RNA)
where:
Base-Base interactions energy: -21.327
where: short stacking energy: -21.327
Base-Backbone interact. energy: -0.253
local terms energy: -47.075212
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -6.524
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: 1, replica: 5
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -184.591145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.591145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.591145 (E_RNA)
where:
Base-Base interactions energy: -118.889
where: short stacking energy: -58.640
Base-Backbone interact. energy: -0.394
local terms energy: -65.307355
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -9.906
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: 2, replica: 9
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -193.794357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.794357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.794357 (E_RNA)
where:
Base-Base interactions energy: -119.510
where: short stacking energy: -62.686
Base-Backbone interact. energy: -0.001
local terms energy: -74.282798
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -18.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -165.666143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.666143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.666143 (E_RNA)
where:
Base-Base interactions energy: -105.528
where: short stacking energy: -52.239
Base-Backbone interact. energy: -0.005
local terms energy: -60.133037
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -8.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -174.435417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.435417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.435417 (E_RNA)
where:
Base-Base interactions energy: -106.775
where: short stacking energy: -60.144
Base-Backbone interact. energy: -0.037
local terms energy: -67.623011
where:
bonds (distance) C4'-P energy: -13.591
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -15.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -169.706157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.706157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.706157 (E_RNA)
where:
Base-Base interactions energy: -100.022
where: short stacking energy: -57.488
Base-Backbone interact. energy: -0.021
local terms energy: -69.663457
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -10.549
flat angles P-C4'-P energy: -14.443
tors. eta vs tors. theta energy: -13.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -136.201632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.201632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.201632 (E_RNA)
where:
Base-Base interactions energy: -84.045
where: short stacking energy: -36.129
Base-Backbone interact. energy: -0.219
local terms energy: -51.937659
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -5.322
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: 7, replica: 1
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -96.939036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.939036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.939036 (E_RNA)
where:
Base-Base interactions energy: -37.329
where: short stacking energy: -37.329
Base-Backbone interact. energy: 0.522
local terms energy: -60.131744
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -5.613
tors. eta vs tors. theta energy: -9.225
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: 8, replica: 7
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -82.280147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.280147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.280147 (E_RNA)
where:
Base-Base interactions energy: -34.017
where: short stacking energy: -28.603
Base-Backbone interact. energy: -0.829
local terms energy: -47.434335
where:
bonds (distance) C4'-P energy: -9.429
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -5.678
tors. eta vs tors. theta energy: -3.386
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: 9, replica: 4
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -74.429287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.429287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.429287 (E_RNA)
where:
Base-Base interactions energy: -23.511
where: short stacking energy: -20.723
Base-Backbone interact. energy: -0.106
local terms energy: -50.812121
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: 2.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -78.099467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.099467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.099467 (E_RNA)
where:
Base-Base interactions energy: -28.288
where: short stacking energy: -25.277
Base-Backbone interact. energy: -0.103
local terms energy: -49.709206
where:
bonds (distance) C4'-P energy: -9.968
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -9.719
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -1.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -182.576158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.576158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.576158 (E_RNA)
where:
Base-Base interactions energy: -117.193
where: short stacking energy: -59.558
Base-Backbone interact. energy: -0.180
local terms energy: -65.202794
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -15.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -191.760354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.760354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.760354 (E_RNA)
where:
Base-Base interactions energy: -113.025
where: short stacking energy: -74.521
Base-Backbone interact. energy: -0.054
local terms energy: -78.680913
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -22.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -153.305753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.305753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.305753 (E_RNA)
where:
Base-Base interactions energy: -92.991
where: short stacking energy: -55.133
Base-Backbone interact. energy: -0.018
local terms energy: -60.296686
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -9.991
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -10.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -159.057603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.057603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.057603 (E_RNA)
where:
Base-Base interactions energy: -95.700
where: short stacking energy: -54.350
Base-Backbone interact. energy: -0.762
local terms energy: -62.595388
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -11.496
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: 5, replica: 8
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -164.685282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.685282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.685282 (E_RNA)
where:
Base-Base interactions energy: -100.143
where: short stacking energy: -60.726
Base-Backbone interact. energy: -0.044
local terms energy: -64.497535
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -5.069
tors. eta vs tors. theta energy: -18.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -132.788727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.788727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.788727 (E_RNA)
where:
Base-Base interactions energy: -68.123
where: short stacking energy: -42.528
Base-Backbone interact. energy: -0.017
local terms energy: -64.648079
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -12.259
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -12.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -80.754933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.754933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.754933 (E_RNA)
where:
Base-Base interactions energy: -38.909
where: short stacking energy: -28.460
Base-Backbone interact. energy: -0.286
local terms energy: -41.560497
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -5.518
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -0.529
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: 8, replica: 4
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -80.837052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.837052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.837052 (E_RNA)
where:
Base-Base interactions energy: -26.459
where: short stacking energy: -23.894
Base-Backbone interact. energy: -0.468
local terms energy: -53.910075
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: 2.671
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: 9, replica: 7
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -83.398579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.398579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.398579 (E_RNA)
where:
Base-Base interactions energy: -30.035
where: short stacking energy: -26.989
Base-Backbone interact. energy: -0.252
local terms energy: -53.111753
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -2.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -82.763649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.763649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.763649 (E_RNA)
where:
Base-Base interactions energy: -34.357
where: short stacking energy: -34.357
Base-Backbone interact. energy: -0.281
local terms energy: -48.125719
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -9.070
flat angles C4'-P-C4' energy: -11.244
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -2.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -184.100636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.100636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.100636 (E_RNA)
where:
Base-Base interactions energy: -112.302
where: short stacking energy: -62.801
Base-Backbone interact. energy: -0.024
local terms energy: -71.774690
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -13.770
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -16.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -198.775066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.775066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.775066 (E_RNA)
where:
Base-Base interactions energy: -122.882
where: short stacking energy: -66.456
Base-Backbone interact. energy: -0.619
local terms energy: -75.274121
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -23.225
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: 3
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -152.650526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.650526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.650526 (E_RNA)
where:
Base-Base interactions energy: -85.266
where: short stacking energy: -43.926
Base-Backbone interact. energy: -0.009
local terms energy: -67.375561
where:
bonds (distance) C4'-P energy: -18.180
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -11.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -156.382112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.382112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.382112 (E_RNA)
where:
Base-Base interactions energy: -95.276
where: short stacking energy: -50.352
Base-Backbone interact. energy: -0.024
local terms energy: -61.082491
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -8.688
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: 5, replica: 8
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -164.667298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.667298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.667298 (E_RNA)
where:
Base-Base interactions energy: -100.610
where: short stacking energy: -58.411
Base-Backbone interact. energy: -0.570
local terms energy: -63.487205
where:
bonds (distance) C4'-P energy: -6.551
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -13.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -110.812978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.812978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.812978 (E_RNA)
where:
Base-Base interactions energy: -59.372
where: short stacking energy: -37.264
Base-Backbone interact. energy: -0.217
local terms energy: -51.224010
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: -4.661
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: 1
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -87.259122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.259122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.259122 (E_RNA)
where:
Base-Base interactions energy: -36.364
where: short stacking energy: -28.969
Base-Backbone interact. energy: -0.553
local terms energy: -50.342657
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -9.937
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -3.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -84.184609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.184609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.184609 (E_RNA)
where:
Base-Base interactions energy: -38.024
where: short stacking energy: -33.895
Base-Backbone interact. energy: 1.708
local terms energy: -47.868889
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -10.523
flat angles C4'-P-C4' energy: -10.002
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -5.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -80.043167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.043167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.043167 (E_RNA)
where:
Base-Base interactions energy: -30.223
where: short stacking energy: -30.223
Base-Backbone interact. energy: -0.096
local terms energy: -49.724357
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -10.236
flat angles P-C4'-P energy: -9.643
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: 7
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -81.021791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.021791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.021791 (E_RNA)
where:
Base-Base interactions energy: -36.629
where: short stacking energy: -30.367
Base-Backbone interact. energy: -0.195
local terms energy: -44.198421
where:
bonds (distance) C4'-P energy: -9.515
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -8.846
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -3.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -192.192280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.192280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.192280 (E_RNA)
where:
Base-Base interactions energy: -105.509
where: short stacking energy: -68.329
Base-Backbone interact. energy: -0.192
local terms energy: -86.491718
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -22.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -199.443834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.443834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.443834 (E_RNA)
where:
Base-Base interactions energy: -129.453
where: short stacking energy: -69.610
Base-Backbone interact. energy: -0.562
local terms energy: -69.429016
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -18.705
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: 3, replica: 3
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -154.708470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.708470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.708470 (E_RNA)
where:
Base-Base interactions energy: -87.794
where: short stacking energy: -53.442
Base-Backbone interact. energy: -0.013
local terms energy: -66.901433
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -11.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -155.036768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.036768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.036768 (E_RNA)
where:
Base-Base interactions energy: -98.682
where: short stacking energy: -50.952
Base-Backbone interact. energy: 0.431
local terms energy: -56.786016
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -10.599
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -11.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -143.937150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.937150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.937150 (E_RNA)
where:
Base-Base interactions energy: -82.837
where: short stacking energy: -41.444
Base-Backbone interact. energy: -0.025
local terms energy: -61.075783
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -5.719
tors. eta vs tors. theta energy: -9.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -96.115748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.115748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.115748 (E_RNA)
where:
Base-Base interactions energy: -40.619
where: short stacking energy: -40.619
Base-Backbone interact. energy: -0.409
local terms energy: -55.087551
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -10.399
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -10.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -94.342976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.342976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.342976 (E_RNA)
where:
Base-Base interactions energy: -52.245
where: short stacking energy: -32.021
Base-Backbone interact. energy: -0.434
local terms energy: -41.664160
where:
bonds (distance) C4'-P energy: -11.351
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: 2.001
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: 8, replica: 4
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -98.624273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.624273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.624273 (E_RNA)
where:
Base-Base interactions energy: -45.640
where: short stacking energy: -36.130
Base-Backbone interact. energy: -0.067
local terms energy: -52.917104
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -11.406
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -9.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -77.788438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.788438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.788438 (E_RNA)
where:
Base-Base interactions energy: -27.923
where: short stacking energy: -27.083
Base-Backbone interact. energy: -0.129
local terms energy: -49.736825
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -7.633
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -5.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -83.587369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.587369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.587369 (E_RNA)
where:
Base-Base interactions energy: -44.220
where: short stacking energy: -23.888
Base-Backbone interact. energy: 0.180
local terms energy: -39.547183
where:
bonds (distance) C4'-P energy: -10.933
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -6.066
flat angles P-C4'-P energy: -3.471
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: 1, replica: 9
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -190.770346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.770346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.770346 (E_RNA)
where:
Base-Base interactions energy: -114.306
where: short stacking energy: -61.288
Base-Backbone interact. energy: -0.079
local terms energy: -76.385195
where:
bonds (distance) C4'-P energy: -18.296
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -17.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -190.042683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.042683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.042683 (E_RNA)
where:
Base-Base interactions energy: -111.532
where: short stacking energy: -61.138
Base-Backbone interact. energy: 0.099
local terms energy: -78.610030
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -17.671
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -16.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -158.159687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.159687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.159687 (E_RNA)
where:
Base-Base interactions energy: -96.337
where: short stacking energy: -57.156
Base-Backbone interact. energy: -0.024
local terms energy: -61.798117
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -11.077
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -16.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -160.484839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.484839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.484839 (E_RNA)
where:
Base-Base interactions energy: -97.530
where: short stacking energy: -54.417
Base-Backbone interact. energy: -0.585
local terms energy: -62.370624
where:
bonds (distance) C4'-P energy: -8.511
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -15.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -157.347751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.347751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.347751 (E_RNA)
where:
Base-Base interactions energy: -93.581
where: short stacking energy: -54.306
Base-Backbone interact. energy: -0.070
local terms energy: -63.696731
where:
bonds (distance) C4'-P energy: -10.295
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -16.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -96.024214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.024214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.024214 (E_RNA)
where:
Base-Base interactions energy: -35.385
where: short stacking energy: -35.385
Base-Backbone interact. energy: 0.533
local terms energy: -61.172348
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -6.791
tors. eta vs tors. theta energy: -11.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -103.656073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.656073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.656073 (E_RNA)
where:
Base-Base interactions energy: -42.194
where: short stacking energy: -41.981
Base-Backbone interact. energy: -0.060
local terms energy: -61.402878
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -10.015
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: 8, replica: 1
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -85.343034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.343034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.343034 (E_RNA)
where:
Base-Base interactions energy: -30.048
where: short stacking energy: -30.048
Base-Backbone interact. energy: -0.026
local terms energy: -55.268896
where:
bonds (distance) C4'-P energy: -10.978
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -4.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -77.828013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.828013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.828013 (E_RNA)
where:
Base-Base interactions energy: -32.411
where: short stacking energy: -25.205
Base-Backbone interact. energy: -0.576
local terms energy: -44.841277
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -9.772
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: 3.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -86.746772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.746772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.746772 (E_RNA)
where:
Base-Base interactions energy: -33.259
where: short stacking energy: -33.259
Base-Backbone interact. energy: -0.361
local terms energy: -53.127020
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -11.632
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -2.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -197.490632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.490632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.490632 (E_RNA)
where:
Base-Base interactions energy: -124.588
where: short stacking energy: -63.273
Base-Backbone interact. energy: -0.423
local terms energy: -72.479176
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -18.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -175.918194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.918194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.918194 (E_RNA)
where:
Base-Base interactions energy: -110.564
where: short stacking energy: -59.538
Base-Backbone interact. energy: -0.107
local terms energy: -65.246524
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -14.164
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: 5
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -190.707208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.707208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.707208 (E_RNA)
where:
Base-Base interactions energy: -124.299
where: short stacking energy: -66.870
Base-Backbone interact. energy: 0.284
local terms energy: -66.692704
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -10.818
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -19.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -174.179840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.179840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.179840 (E_RNA)
where:
Base-Base interactions energy: -101.462
where: short stacking energy: -60.020
Base-Backbone interact. energy: -0.685
local terms energy: -72.032633
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -17.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -162.602770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.602770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.602770 (E_RNA)
where:
Base-Base interactions energy: -96.289
where: short stacking energy: -61.622
Base-Backbone interact. energy: -0.094
local terms energy: -66.219264
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -14.761
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: 4
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -103.384968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.384968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.384968 (E_RNA)
where:
Base-Base interactions energy: -38.537
where: short stacking energy: -38.537
Base-Backbone interact. energy: -0.077
local terms energy: -64.770373
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -9.170
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: 10
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -79.907319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.907319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.907319 (E_RNA)
where:
Base-Base interactions energy: -27.291
where: short stacking energy: -12.163
Base-Backbone interact. energy: -1.622
local terms energy: -50.994739
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: 4.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -95.878126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.878126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.878126 (E_RNA)
where:
Base-Base interactions energy: -38.447
where: short stacking energy: -38.447
Base-Backbone interact. energy: -0.067
local terms energy: -57.364669
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -6.117
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: 1
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -82.651208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.651208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.651208 (E_RNA)
where:
Base-Base interactions energy: -26.534
where: short stacking energy: -19.958
Base-Backbone interact. energy: -0.120
local terms energy: -55.996693
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -3.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -81.282725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.282725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.282725 (E_RNA)
where:
Base-Base interactions energy: -29.263
where: short stacking energy: -24.879
Base-Backbone interact. energy: 1.309
local terms energy: -53.328253
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -8.675
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -7.135
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: 1, replica: 8
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -168.723157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.723157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.723157 (E_RNA)
where:
Base-Base interactions energy: -102.299
where: short stacking energy: -46.538
Base-Backbone interact. energy: -0.071
local terms energy: -66.353434
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -9.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -190.623792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.623792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.623792 (E_RNA)
where:
Base-Base interactions energy: -117.762
where: short stacking energy: -66.281
Base-Backbone interact. energy: -0.030
local terms energy: -72.832084
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -17.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -195.202771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.202771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.202771 (E_RNA)
where:
Base-Base interactions energy: -121.315
where: short stacking energy: -66.661
Base-Backbone interact. energy: -0.073
local terms energy: -73.814787
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -19.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -166.357128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.357128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.357128 (E_RNA)
where:
Base-Base interactions energy: -99.579
where: short stacking energy: -36.063
Base-Backbone interact. energy: -0.165
local terms energy: -66.612936
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -2.755
tors. eta vs tors. theta energy: -13.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -174.975272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.975272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.975272 (E_RNA)
where:
Base-Base interactions energy: -103.207
where: short stacking energy: -53.863
Base-Backbone interact. energy: -0.087
local terms energy: -71.680413
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -11.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -122.263075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.263075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.263075 (E_RNA)
where:
Base-Base interactions energy: -48.546
where: short stacking energy: -48.546
Base-Backbone interact. energy: -0.000
local terms energy: -73.716987
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -13.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -88.253458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.253458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.253458 (E_RNA)
where:
Base-Base interactions energy: -35.269
where: short stacking energy: -35.269
Base-Backbone interact. energy: -0.007
local terms energy: -52.977527
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -6.241
tors. eta vs tors. theta energy: -2.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -84.918533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.918533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.918533 (E_RNA)
where:
Base-Base interactions energy: -28.926
where: short stacking energy: -18.350
Base-Backbone interact. energy: -0.384
local terms energy: -55.608785
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -13.347
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -13.800
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: 9, replica: 1
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -81.957979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.957979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.957979 (E_RNA)
where:
Base-Base interactions energy: -31.595
where: short stacking energy: -26.419
Base-Backbone interact. energy: -0.326
local terms energy: -50.036662
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -5.599
tors. eta vs tors. theta energy: -3.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -74.033989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.033989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.033989 (E_RNA)
where:
Base-Base interactions energy: -22.806
where: short stacking energy: -24.831
Base-Backbone interact. energy: -0.178
local terms energy: -51.050465
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -6.163
tors. eta vs tors. theta energy: -2.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -182.148816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.148816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.148816 (E_RNA)
where:
Base-Base interactions energy: -116.559
where: short stacking energy: -44.398
Base-Backbone interact. energy: -1.017
local terms energy: -64.572864
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -10.786
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: 2, replica: 5
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -201.298767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.298767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.298767 (E_RNA)
where:
Base-Base interactions energy: -129.853
where: short stacking energy: -66.206
Base-Backbone interact. energy: -0.022
local terms energy: -71.423786
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -18.633
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: 3, replica: 9
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -178.335641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.335641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.335641 (E_RNA)
where:
Base-Base interactions energy: -104.074
where: short stacking energy: -61.694
Base-Backbone interact. energy: -0.017
local terms energy: -74.244945
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -17.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -177.850023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.850023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.850023 (E_RNA)
where:
Base-Base interactions energy: -106.361
where: short stacking energy: -60.548
Base-Backbone interact. energy: -0.735
local terms energy: -70.753637
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -18.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -153.441579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.441579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.441579 (E_RNA)
where:
Base-Base interactions energy: -90.126
where: short stacking energy: -36.452
Base-Backbone interact. energy: -0.003
local terms energy: -63.312620
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -8.250
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: 4
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -111.745232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.745232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.745232 (E_RNA)
where:
Base-Base interactions energy: -49.515
where: short stacking energy: -49.515
Base-Backbone interact. energy: -0.001
local terms energy: -62.229599
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -10.584
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -15.597
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: 7, replica: 7
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -87.452383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.452383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.452383 (E_RNA)
where:
Base-Base interactions energy: -32.882
where: short stacking energy: -32.882
Base-Backbone interact. energy: -0.119
local terms energy: -54.451271
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -8.879
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: 8, replica: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -88.824998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.824998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.824998 (E_RNA)
where:
Base-Base interactions energy: -39.402
where: short stacking energy: -25.484
Base-Backbone interact. energy: -0.199
local terms energy: -49.223937
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -8.678
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -5.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -79.041356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.041356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.041356 (E_RNA)
where:
Base-Base interactions energy: -28.584
where: short stacking energy: -28.584
Base-Backbone interact. energy: -0.130
local terms energy: -50.327822
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -8.636
flat angles P-C4'-P energy: -5.600
tors. eta vs tors. theta energy: -6.327
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: 6
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -78.020819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.020819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.020819 (E_RNA)
where:
Base-Base interactions energy: -23.071
where: short stacking energy: -21.903
Base-Backbone interact. energy: -1.085
local terms energy: -53.865107
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -7.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -192.913561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.913561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.913561 (E_RNA)
where:
Base-Base interactions energy: -118.221
where: short stacking energy: -56.602
Base-Backbone interact. energy: -0.665
local terms energy: -74.027751
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -15.256
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: 8
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -176.130895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.130895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.130895 (E_RNA)
where:
Base-Base interactions energy: -110.791
where: short stacking energy: -52.091
Base-Backbone interact. energy: -0.951
local terms energy: -64.389456
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -8.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -143.959072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.959072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.959072 (E_RNA)
where:
Base-Base interactions energy: -78.388
where: short stacking energy: -37.533
Base-Backbone interact. energy: -0.583
local terms energy: -64.988123
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -8.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -165.564021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.564021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.564021 (E_RNA)
where:
Base-Base interactions energy: -100.726
where: short stacking energy: -56.029
Base-Backbone interact. energy: -0.005
local terms energy: -64.833498
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -14.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -148.105752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.105752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.105752 (E_RNA)
where:
Base-Base interactions energy: -79.346
where: short stacking energy: -44.335
Base-Backbone interact. energy: 0.939
local terms energy: -69.698280
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -9.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -100.028062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.028062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.028062 (E_RNA)
where:
Base-Base interactions energy: -44.775
where: short stacking energy: -39.945
Base-Backbone interact. energy: -0.265
local terms energy: -54.988629
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -12.267
flat angles C4'-P-C4' energy: -10.595
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -8.859
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: 1
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -83.934850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.934850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.934850 (E_RNA)
where:
Base-Base interactions energy: -34.318
where: short stacking energy: -18.313
Base-Backbone interact. energy: 0.158
local terms energy: -49.774892
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -10.599
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: 7
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -98.417704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.417704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.417704 (E_RNA)
where:
Base-Base interactions energy: -46.809
where: short stacking energy: -33.879
Base-Backbone interact. energy: -0.058
local terms energy: -51.550872
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -10.794
flat angles P-C4'-P energy: -5.274
tors. eta vs tors. theta energy: -5.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -80.958600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.958600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.958600 (E_RNA)
where:
Base-Base interactions energy: -31.527
where: short stacking energy: -31.527
Base-Backbone interact. energy: -0.273
local terms energy: -49.158661
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -6.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -89.170937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.170937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.170937 (E_RNA)
where:
Base-Base interactions energy: -33.833
where: short stacking energy: -33.067
Base-Backbone interact. energy: -0.298
local terms energy: -55.039688
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -9.446
flat angles P-C4'-P energy: -9.779
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: 5
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -193.675913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.675913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.675913 (E_RNA)
where:
Base-Base interactions energy: -115.408
where: short stacking energy: -59.602
Base-Backbone interact. energy: -0.319
local terms energy: -77.949264
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -20.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -171.351466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.351466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.351466 (E_RNA)
where:
Base-Base interactions energy: -105.845
where: short stacking energy: -52.539
Base-Backbone interact. energy: -0.495
local terms energy: -65.011284
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -9.836
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -11.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -180.493958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.493958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.493958 (E_RNA)
where:
Base-Base interactions energy: -111.465
where: short stacking energy: -59.278
Base-Backbone interact. energy: -0.328
local terms energy: -68.700322
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -17.215
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: 297
Temperature: 1.050000
Total energy: -182.676312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.676312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.676312 (E_RNA)
where:
Base-Base interactions energy: -109.998
where: short stacking energy: -59.167
Base-Backbone interact. energy: -1.149
local terms energy: -71.528811
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -19.702
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: 9
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -150.924359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.924359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.924359 (E_RNA)
where:
Base-Base interactions energy: -87.165
where: short stacking energy: -44.514
Base-Backbone interact. energy: -0.116
local terms energy: -63.643655
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -10.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -94.234284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.234284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.234284 (E_RNA)
where:
Base-Base interactions energy: -45.163
where: short stacking energy: -25.781
Base-Backbone interact. energy: -0.062
local terms energy: -49.008596
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: 1.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -98.661878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.661878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.661878 (E_RNA)
where:
Base-Base interactions energy: -37.670
where: short stacking energy: -37.648
Base-Backbone interact. energy: -0.101
local terms energy: -60.890417
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -10.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -83.219030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.219030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.219030 (E_RNA)
where:
Base-Base interactions energy: -29.278
where: short stacking energy: -29.278
Base-Backbone interact. energy: -0.084
local terms energy: -53.856898
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -6.483
tors. eta vs tors. theta energy: -7.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -84.296891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.296891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.296891 (E_RNA)
where:
Base-Base interactions energy: -40.761
where: short stacking energy: -25.091
Base-Backbone interact. energy: 2.632
local terms energy: -46.168117
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -3.353
tors. eta vs tors. theta energy: 2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -78.635286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.635286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.635286 (E_RNA)
where:
Base-Base interactions energy: -28.209
where: short stacking energy: -28.209
Base-Backbone interact. energy: -0.038
local terms energy: -50.388556
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -6.140
tors. eta vs tors. theta energy: 1.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -195.881535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.881535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.881535 (E_RNA)
where:
Base-Base interactions energy: -119.635
where: short stacking energy: -65.874
Base-Backbone interact. energy: -0.037
local terms energy: -76.209287
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -17.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -177.346762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.346762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.346762 (E_RNA)
where:
Base-Base interactions energy: -111.409
where: short stacking energy: -56.312
Base-Backbone interact. energy: 1.040
local terms energy: -66.977742
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -14.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -197.358014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.358014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.358014 (E_RNA)
where:
Base-Base interactions energy: -126.324
where: short stacking energy: -71.929
Base-Backbone interact. energy: -0.025
local terms energy: -71.008204
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -19.774
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: 8
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -165.706119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.706119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.706119 (E_RNA)
where:
Base-Base interactions energy: -92.205
where: short stacking energy: -50.569
Base-Backbone interact. energy: -0.070
local terms energy: -73.431098
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -15.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -155.899959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.899959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.899959 (E_RNA)
where:
Base-Base interactions energy: -95.155
where: short stacking energy: -53.449
Base-Backbone interact. energy: 0.002
local terms energy: -60.746919
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -9.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -101.125877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.125877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.125877 (E_RNA)
where:
Base-Base interactions energy: -45.690
where: short stacking energy: -32.615
Base-Backbone interact. energy: -0.270
local terms energy: -55.166487
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -2.999
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: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -120.978525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.978525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.978525 (E_RNA)
where:
Base-Base interactions energy: -63.189
where: short stacking energy: -42.936
Base-Backbone interact. energy: -0.605
local terms energy: -57.185144
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -9.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -86.382083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.382083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.382083 (E_RNA)
where:
Base-Base interactions energy: -31.950
where: short stacking energy: -20.518
Base-Backbone interact. energy: -0.150
local terms energy: -54.282371
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -10.054
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: 9, replica: 10
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -73.450533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.450533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.450533 (E_RNA)
where:
Base-Base interactions energy: -25.519
where: short stacking energy: -21.407
Base-Backbone interact. energy: -0.102
local terms energy: -47.829852
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -9.322
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -2.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -80.258909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.258909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.258909 (E_RNA)
where:
Base-Base interactions energy: -27.587
where: short stacking energy: -27.587
Base-Backbone interact. energy: -0.090
local terms energy: -52.582308
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -18.486
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -0.366
tors. eta vs tors. theta energy: -5.445
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: 5
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -197.509042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.509042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.509042 (E_RNA)
where:
Base-Base interactions energy: -122.042
where: short stacking energy: -66.891
Base-Backbone interact. energy: -0.119
local terms energy: -75.347223
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -17.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -190.417557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.417557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.417557 (E_RNA)
where:
Base-Base interactions energy: -119.686
where: short stacking energy: -61.066
Base-Backbone interact. energy: -0.013
local terms energy: -70.718469
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -17.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -182.951480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.951480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.951480 (E_RNA)
where:
Base-Base interactions energy: -112.351
where: short stacking energy: -57.986
Base-Backbone interact. energy: -0.072
local terms energy: -70.528493
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -15.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -179.532135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.532135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.532135 (E_RNA)
where:
Base-Base interactions energy: -109.605
where: short stacking energy: -62.554
Base-Backbone interact. energy: -0.100
local terms energy: -69.826895
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -15.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -165.169894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.169894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.169894 (E_RNA)
where:
Base-Base interactions energy: -96.835
where: short stacking energy: -59.944
Base-Backbone interact. energy: -0.199
local terms energy: -68.136262
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -16.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -95.330474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.330474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.330474 (E_RNA)
where:
Base-Base interactions energy: -40.309
where: short stacking energy: -38.094
Base-Backbone interact. energy: 0.038
local terms energy: -55.059603
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -6.420
tors. eta vs tors. theta energy: -4.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -89.691673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.691673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.691673 (E_RNA)
where:
Base-Base interactions energy: -36.084
where: short stacking energy: -36.084
Base-Backbone interact. energy: -1.165
local terms energy: -52.442279
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -3.118
tors. eta vs tors. theta energy: -5.085
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: 299
Temperature: 1.250000
Total energy: -80.690258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.690258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.690258 (E_RNA)
where:
Base-Base interactions energy: -33.490
where: short stacking energy: -21.310
Base-Backbone interact. energy: -0.112
local terms energy: -47.088180
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -6.355
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: -5.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -81.094793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.094793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.094793 (E_RNA)
where:
Base-Base interactions energy: -31.215
where: short stacking energy: -31.215
Base-Backbone interact. energy: -0.252
local terms energy: -49.627346
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -6.218
tors. eta vs tors. theta energy: -2.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -94.505861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.505861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.505861 (E_RNA)
where:
Base-Base interactions energy: -39.951
where: short stacking energy: -24.607
Base-Backbone interact. energy: -0.397
local terms energy: -54.157656
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -4.249
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: 5
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -194.920739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.920739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.920739 (E_RNA)
where:
Base-Base interactions energy: -120.710
where: short stacking energy: -63.402
Base-Backbone interact. energy: -0.116
local terms energy: -74.095007
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -16.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -198.029127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.029127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.029127 (E_RNA)
where:
Base-Base interactions energy: -119.349
where: short stacking energy: -63.576
Base-Backbone interact. energy: -0.055
local terms energy: -78.624536
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -16.445
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: 3, replica: 3
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -178.247196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.247196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.247196 (E_RNA)
where:
Base-Base interactions energy: -106.040
where: short stacking energy: -61.918
Base-Backbone interact. energy: -0.086
local terms energy: -72.121773
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -6.416
tors. eta vs tors. theta energy: -19.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -168.546751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.546751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.546751 (E_RNA)
where:
Base-Base interactions energy: -113.731
where: short stacking energy: -45.993
Base-Backbone interact. energy: -0.644
local terms energy: -54.171376
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -3.593
tors. eta vs tors. theta energy: -11.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -115.477805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.477805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.477805 (E_RNA)
where:
Base-Base interactions energy: -59.493
where: short stacking energy: -41.723
Base-Backbone interact. energy: -0.201
local terms energy: -55.783517
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -6.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -149.400519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.400519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.400519 (E_RNA)
where:
Base-Base interactions energy: -88.960
where: short stacking energy: -50.467
Base-Backbone interact. energy: -0.021
local terms energy: -60.419848
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -10.263
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -11.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -87.106510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.106510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.106510 (E_RNA)
where:
Base-Base interactions energy: -30.822
where: short stacking energy: -30.822
Base-Backbone interact. energy: -0.057
local terms energy: -56.227792
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -3.335
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: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -79.627692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.627692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.627692 (E_RNA)
where:
Base-Base interactions energy: -34.412
where: short stacking energy: -18.411
Base-Backbone interact. energy: -0.731
local terms energy: -44.484375
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -3.781
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: 0.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -72.974029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.974029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.974029 (E_RNA)
where:
Base-Base interactions energy: -26.677
where: short stacking energy: -22.025
Base-Backbone interact. energy: -0.121
local terms energy: -46.176224
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -9.295
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: 1.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -77.862283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.862283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.862283 (E_RNA)
where:
Base-Base interactions energy: -31.782
where: short stacking energy: -26.554
Base-Backbone interact. energy: -0.413
local terms energy: -45.668020
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -9.352
flat angles C4'-P-C4' energy: -10.113
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -2.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -202.680549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.680549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.680549 (E_RNA)
where:
Base-Base interactions energy: -127.228
where: short stacking energy: -67.498
Base-Backbone interact. energy: -0.012
local terms energy: -75.440698
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -17.211
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -17.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -215.941721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.941721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.941721 (E_RNA)
where:
Base-Base interactions energy: -143.316
where: short stacking energy: -65.661
Base-Backbone interact. energy: -0.729
local terms energy: -71.896893
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -18.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -181.075438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.075438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.075438 (E_RNA)
where:
Base-Base interactions energy: -112.014
where: short stacking energy: -58.629
Base-Backbone interact. energy: -0.211
local terms energy: -68.850593
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -14.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -170.961130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.961130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.961130 (E_RNA)
where:
Base-Base interactions energy: -108.383
where: short stacking energy: -56.291
Base-Backbone interact. energy: -0.090
local terms energy: -62.488257
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -10.954
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: 1
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -125.614709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.614709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.614709 (E_RNA)
where:
Base-Base interactions energy: -70.912
where: short stacking energy: -33.994
Base-Backbone interact. energy: -0.172
local terms energy: -54.530321
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -8.534
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: 6, replica: 8
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -167.607184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.607184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.607184 (E_RNA)
where:
Base-Base interactions energy: -101.418
where: short stacking energy: -51.669
Base-Backbone interact. energy: -0.034
local terms energy: -66.155574
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -12.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -99.445143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.445143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.445143 (E_RNA)
where:
Base-Base interactions energy: -38.496
where: short stacking energy: -37.200
Base-Backbone interact. energy: -0.072
local terms energy: -60.876999
where:
bonds (distance) C4'-P energy: -9.814
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -9.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -90.290936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.290936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.290936 (E_RNA)
where:
Base-Base interactions energy: -42.903
where: short stacking energy: -15.497
Base-Backbone interact. energy: 0.823
local terms energy: -48.210677
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -9.138
flat angles P-C4'-P energy: -5.439
tors. eta vs tors. theta energy: -3.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -74.464593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.464593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.464593 (E_RNA)
where:
Base-Base interactions energy: -36.018
where: short stacking energy: -31.421
Base-Backbone interact. energy: -0.374
local terms energy: -38.072343
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -11.289
flat angles C4'-P-C4' energy: -11.273
flat angles P-C4'-P energy: -1.528
tors. eta vs tors. theta energy: -3.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -91.857763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.857763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.857763 (E_RNA)
where:
Base-Base interactions energy: -40.333
where: short stacking energy: -35.733
Base-Backbone interact. energy: 0.466
local terms energy: -51.990377
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -12.195
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -4.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -205.520100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.520100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.520100 (E_RNA)
where:
Base-Base interactions energy: -127.509
where: short stacking energy: -72.414
Base-Backbone interact. energy: -0.789
local terms energy: -77.221404
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -20.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -212.766769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.766769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.766769 (E_RNA)
where:
Base-Base interactions energy: -136.897
where: short stacking energy: -60.644
Base-Backbone interact. energy: -0.652
local terms energy: -75.218122
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -18.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -179.336878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.336878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.336878 (E_RNA)
where:
Base-Base interactions energy: -109.230
where: short stacking energy: -67.120
Base-Backbone interact. energy: -0.217
local terms energy: -69.889403
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -14.742
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -16.129
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: 4, replica: 3
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -169.609905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.609905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.609905 (E_RNA)
where:
Base-Base interactions energy: -105.584
where: short stacking energy: -54.544
Base-Backbone interact. energy: 0.156
local terms energy: -64.182390
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -15.313
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: 8
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -164.435742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.435742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.435742 (E_RNA)
where:
Base-Base interactions energy: -96.674
where: short stacking energy: -53.374
Base-Backbone interact. energy: -0.017
local terms energy: -67.745335
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -6.260
tors. eta vs tors. theta energy: -17.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -147.198277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.198277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.198277 (E_RNA)
where:
Base-Base interactions energy: -87.999
where: short stacking energy: -44.898
Base-Backbone interact. energy: -0.109
local terms energy: -59.089978
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -8.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -95.237863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.237863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.237863 (E_RNA)
where:
Base-Base interactions energy: -43.001
where: short stacking energy: -14.246
Base-Backbone interact. energy: -0.163
local terms energy: -52.074022
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -1.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -94.020430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.020430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.020430 (E_RNA)
where:
Base-Base interactions energy: -33.063
where: short stacking energy: -26.656
Base-Backbone interact. energy: -0.065
local terms energy: -60.891833
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -9.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -89.089973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.089973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.089973 (E_RNA)
where:
Base-Base interactions energy: -38.426
where: short stacking energy: -33.918
Base-Backbone interact. energy: -0.275
local terms energy: -50.388418
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -4.235
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: 10, replica: 4
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -68.656438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.656438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.656438 (E_RNA)
where:
Base-Base interactions energy: -22.313
where: short stacking energy: -21.267
Base-Backbone interact. energy: 0.090
local terms energy: -46.434053
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: 1.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -206.208794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.208794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.208794 (E_RNA)
where:
Base-Base interactions energy: -129.810
where: short stacking energy: -67.348
Base-Backbone interact. energy: -0.227
local terms energy: -76.171497
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -17.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -208.455168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.455168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.455168 (E_RNA)
where:
Base-Base interactions energy: -136.818
where: short stacking energy: -62.676
Base-Backbone interact. energy: -0.758
local terms energy: -70.879367
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -19.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -174.629246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.629246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.629246 (E_RNA)
where:
Base-Base interactions energy: -103.863
where: short stacking energy: -58.113
Base-Backbone interact. energy: -0.074
local terms energy: -70.692167
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -14.211
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: 8
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -154.277534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.277534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.277534 (E_RNA)
where:
Base-Base interactions energy: -94.887
where: short stacking energy: -40.767
Base-Backbone interact. energy: -0.610
local terms energy: -58.780207
where:
bonds (distance) C4'-P energy: -11.405
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -8.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -152.624767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.624767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.624767 (E_RNA)
where:
Base-Base interactions energy: -86.669
where: short stacking energy: -49.884
Base-Backbone interact. energy: -0.244
local terms energy: -65.711247
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -10.308
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: 6, replica: 1
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -138.353995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.353995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.353995 (E_RNA)
where:
Base-Base interactions energy: -76.952
where: short stacking energy: -43.548
Base-Backbone interact. energy: 0.440
local terms energy: -61.841679
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -4.831
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: 7, replica: 7
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -144.578870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.578870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.578870 (E_RNA)
where:
Base-Base interactions energy: -86.585
where: short stacking energy: -46.856
Base-Backbone interact. energy: -0.232
local terms energy: -57.761357
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -12.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -88.320305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.320305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.320305 (E_RNA)
where:
Base-Base interactions energy: -34.570
where: short stacking energy: -33.030
Base-Backbone interact. energy: -0.124
local terms energy: -53.626999
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -2.885
tors. eta vs tors. theta energy: -6.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -85.596680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.596680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.596680 (E_RNA)
where:
Base-Base interactions energy: -38.062
where: short stacking energy: -27.095
Base-Backbone interact. energy: -1.134
local terms energy: -46.400499
where:
bonds (distance) C4'-P energy: -10.572
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: 3.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -71.720786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.720786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.720786 (E_RNA)
where:
Base-Base interactions energy: -23.111
where: short stacking energy: -21.209
Base-Backbone interact. energy: -0.446
local terms energy: -48.164066
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -5.497
tors. eta vs tors. theta energy: 0.096
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: 5
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -201.570779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.570779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.570779 (E_RNA)
where:
Base-Base interactions energy: -121.814
where: short stacking energy: -61.461
Base-Backbone interact. energy: -0.071
local terms energy: -79.685638
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -21.067
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: 2
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -201.398911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.398911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.398911 (E_RNA)
where:
Base-Base interactions energy: -126.157
where: short stacking energy: -67.739
Base-Backbone interact. energy: -0.559
local terms energy: -74.682783
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -18.164
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: 9
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -164.509058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.509058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.509058 (E_RNA)
where:
Base-Base interactions energy: -92.063
where: short stacking energy: -53.198
Base-Backbone interact. energy: -0.279
local terms energy: -72.166538
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: -13.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -153.934500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.934500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.934500 (E_RNA)
where:
Base-Base interactions energy: -87.833
where: short stacking energy: -41.681
Base-Backbone interact. energy: -0.108
local terms energy: -65.993800
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -5.553
tors. eta vs tors. theta energy: -13.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -155.543854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.543854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.543854 (E_RNA)
where:
Base-Base interactions energy: -89.550
where: short stacking energy: -51.491
Base-Backbone interact. energy: -0.006
local terms energy: -65.987597
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -14.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -131.321555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.321555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.321555 (E_RNA)
where:
Base-Base interactions energy: -75.278
where: short stacking energy: -45.021
Base-Backbone interact. energy: -0.293
local terms energy: -55.750951
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -5.759
tors. eta vs tors. theta energy: -8.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -95.829972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.829972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.829972 (E_RNA)
where:
Base-Base interactions energy: -32.997
where: short stacking energy: -29.573
Base-Backbone interact. energy: -0.157
local terms energy: -62.676347
where:
bonds (distance) C4'-P energy: -10.568
bonds (distance) P-C4' energy: -18.137
flat angles C4'-P-C4' energy: -17.509
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -5.643
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: 7
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -129.672286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.672286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.672286 (E_RNA)
where:
Base-Base interactions energy: -70.491
where: short stacking energy: -34.446
Base-Backbone interact. energy: -0.180
local terms energy: -59.000561
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -5.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -91.577635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.577635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.577635 (E_RNA)
where:
Base-Base interactions energy: -32.107
where: short stacking energy: -32.107
Base-Backbone interact. energy: -1.061
local terms energy: -58.409266
where:
bonds (distance) C4'-P energy: -10.535
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -6.037
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: 4
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -79.151670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.151670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.151670 (E_RNA)
where:
Base-Base interactions energy: -33.555
where: short stacking energy: -27.278
Base-Backbone interact. energy: -0.142
local terms energy: -45.455436
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -11.579
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -4.652
tors. eta vs tors. theta energy: -1.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -199.281281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.281281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.281281 (E_RNA)
where:
Base-Base interactions energy: -122.025
where: short stacking energy: -65.033
Base-Backbone interact. energy: -0.356
local terms energy: -76.900031
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -21.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -192.533189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.533189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.533189 (E_RNA)
where:
Base-Base interactions energy: -123.838
where: short stacking energy: -56.519
Base-Backbone interact. energy: -0.168
local terms energy: -68.526953
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -11.757
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: 3, replica: 9
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -179.475242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.475242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.475242 (E_RNA)
where:
Base-Base interactions energy: -117.313
where: short stacking energy: -58.525
Base-Backbone interact. energy: -0.768
local terms energy: -61.394735
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -4.338
tors. eta vs tors. theta energy: -11.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -161.334830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.334830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.334830 (E_RNA)
where:
Base-Base interactions energy: -96.681
where: short stacking energy: -57.096
Base-Backbone interact. energy: 0.116
local terms energy: -64.770119
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -10.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -163.534240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.534240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.534240 (E_RNA)
where:
Base-Base interactions energy: -94.948
where: short stacking energy: -54.187
Base-Backbone interact. energy: -0.157
local terms energy: -68.428633
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -12.513
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: 1
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -128.774435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.774435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.774435 (E_RNA)
where:
Base-Base interactions energy: -68.233
where: short stacking energy: -27.819
Base-Backbone interact. energy: -0.783
local terms energy: -59.759284
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -7.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -93.371528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.371528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.371528 (E_RNA)
where:
Base-Base interactions energy: -45.738
where: short stacking energy: -34.401
Base-Backbone interact. energy: -0.212
local terms energy: -47.421697
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -10.303
flat angles C4'-P-C4' energy: -10.928
flat angles P-C4'-P energy: -6.557
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: 10
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -84.166704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.166704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.166704 (E_RNA)
where:
Base-Base interactions energy: -35.907
where: short stacking energy: -35.863
Base-Backbone interact. energy: -0.197
local terms energy: -48.062585
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -7.217
flat angles P-C4'-P energy: -8.895
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: 305
Temperature: 1.300000
Total energy: -118.459207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.459207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.459207 (E_RNA)
where:
Base-Base interactions energy: -68.733
where: short stacking energy: -29.544
Base-Backbone interact. energy: -0.268
local terms energy: -49.457821
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -10.646
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -4.950
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: 4
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -71.009295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.009295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.009295 (E_RNA)
where:
Base-Base interactions energy: -18.955
where: short stacking energy: -18.955
Base-Backbone interact. energy: 0.596
local terms energy: -52.650578
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: 1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -207.678445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.678445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.678445 (E_RNA)
where:
Base-Base interactions energy: -131.253
where: short stacking energy: -72.763
Base-Backbone interact. energy: -0.106
local terms energy: -76.319576
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -18.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -201.098520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.098520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.098520 (E_RNA)
where:
Base-Base interactions energy: -129.008
where: short stacking energy: -66.165
Base-Backbone interact. energy: -0.078
local terms energy: -72.012658
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -16.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -185.978373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.978373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.978373 (E_RNA)
where:
Base-Base interactions energy: -108.752
where: short stacking energy: -60.548
Base-Backbone interact. energy: -0.084
local terms energy: -77.142676
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -18.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -163.026782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.026782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.026782 (E_RNA)
where:
Base-Base interactions energy: -100.020
where: short stacking energy: -55.775
Base-Backbone interact. energy: -0.001
local terms energy: -63.005292
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -11.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -157.636474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.636474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.636474 (E_RNA)
where:
Base-Base interactions energy: -96.757
where: short stacking energy: -49.169
Base-Backbone interact. energy: -0.003
local terms energy: -60.876766
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -9.353
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -12.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -117.941871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.941871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.941871 (E_RNA)
where:
Base-Base interactions energy: -67.084
where: short stacking energy: -35.829
Base-Backbone interact. energy: -0.121
local terms energy: -50.737460
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -2.689
tors. eta vs tors. theta energy: -3.985
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: 6
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -93.729649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.729649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.729649 (E_RNA)
where:
Base-Base interactions energy: -35.313
where: short stacking energy: -35.313
Base-Backbone interact. energy: 0.732
local terms energy: -59.148948
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -7.641
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: 8, replica: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -95.716290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.716290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.716290 (E_RNA)
where:
Base-Base interactions energy: -37.682
where: short stacking energy: -37.682
Base-Backbone interact. energy: -0.162
local terms energy: -57.873119
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -5.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -81.492511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.492511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.492511 (E_RNA)
where:
Base-Base interactions energy: -29.538
where: short stacking energy: -29.299
Base-Backbone interact. energy: -0.294
local terms energy: -51.660338
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -9.786
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -4.546
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: 7
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -128.386521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.386521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.386521 (E_RNA)
where:
Base-Base interactions energy: -68.010
where: short stacking energy: -29.146
Base-Backbone interact. energy: -0.407
local terms energy: -59.969902
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -7.698
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -7.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -202.747531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.747531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.747531 (E_RNA)
where:
Base-Base interactions energy: -123.279
where: short stacking energy: -63.039
Base-Backbone interact. energy: -0.641
local terms energy: -78.827012
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -21.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -213.620642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.620642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.620642 (E_RNA)
where:
Base-Base interactions energy: -135.787
where: short stacking energy: -67.192
Base-Backbone interact. energy: -0.855
local terms energy: -76.978591
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -15.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -188.524983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.524983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.524983 (E_RNA)
where:
Base-Base interactions energy: -123.520
where: short stacking energy: -62.753
Base-Backbone interact. energy: -0.081
local terms energy: -64.924415
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -10.953
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: -15.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -164.627378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.627378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.627378 (E_RNA)
where:
Base-Base interactions energy: -97.723
where: short stacking energy: -45.371
Base-Backbone interact. energy: -0.043
local terms energy: -66.860722
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -13.962
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: 8
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -163.213677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.213677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.213677 (E_RNA)
where:
Base-Base interactions energy: -98.963
where: short stacking energy: -46.959
Base-Backbone interact. energy: -0.072
local terms energy: -64.179438
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -11.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -126.169523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.169523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.169523 (E_RNA)
where:
Base-Base interactions energy: -64.456
where: short stacking energy: -27.567
Base-Backbone interact. energy: -0.132
local terms energy: -61.580725
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -7.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -81.294447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.294447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.294447 (E_RNA)
where:
Base-Base interactions energy: -29.346
where: short stacking energy: -28.077
Base-Backbone interact. energy: -0.181
local terms energy: -51.767367
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -12.562
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -8.143
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: 8, replica: 4
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -91.752758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.752758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.752758 (E_RNA)
where:
Base-Base interactions energy: -39.866
where: short stacking energy: -36.101
Base-Backbone interact. energy: 1.943
local terms energy: -53.830011
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -16.303
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -5.164
tors. eta vs tors. theta energy: -6.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -83.375889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.375889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.375889 (E_RNA)
where:
Base-Base interactions energy: -37.708
where: short stacking energy: -22.685
Base-Backbone interact. energy: 0.358
local terms energy: -46.026094
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -9.851
flat angles P-C4'-P energy: -3.628
tors. eta vs tors. theta energy: -6.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -109.805628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.805628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.805628 (E_RNA)
where:
Base-Base interactions energy: -56.825
where: short stacking energy: -22.987
Base-Backbone interact. energy: -0.826
local terms energy: -52.154346
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -12.226
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -0.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -210.899331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.899331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.899331 (E_RNA)
where:
Base-Base interactions energy: -134.596
where: short stacking energy: -66.155
Base-Backbone interact. energy: -0.230
local terms energy: -76.073097
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -17.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -180.456676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.456676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.456676 (E_RNA)
where:
Base-Base interactions energy: -115.151
where: short stacking energy: -58.090
Base-Backbone interact. energy: -0.018
local terms energy: -65.287454
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -16.940
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: 9
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -170.553393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.553393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.553393 (E_RNA)
where:
Base-Base interactions energy: -104.624
where: short stacking energy: -58.204
Base-Backbone interact. energy: -0.123
local terms energy: -65.806115
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -11.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -142.347026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.347026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.347026 (E_RNA)
where:
Base-Base interactions energy: -79.813
where: short stacking energy: -42.602
Base-Backbone interact. energy: -0.873
local terms energy: -61.660551
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -9.599
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: 5, replica: 8
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -168.546430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.546430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.546430 (E_RNA)
where:
Base-Base interactions energy: -108.947
where: short stacking energy: -54.909
Base-Backbone interact. energy: -0.085
local terms energy: -59.515094
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -4.532
tors. eta vs tors. theta energy: -10.641
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: 1
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -128.391745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.391745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.391745 (E_RNA)
where:
Base-Base interactions energy: -70.510
where: short stacking energy: -30.917
Base-Backbone interact. energy: -0.093
local terms energy: -57.788442
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -3.087
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: 7, replica: 4
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -85.447410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.447410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.447410 (E_RNA)
where:
Base-Base interactions energy: -33.366
where: short stacking energy: -33.366
Base-Backbone interact. energy: -0.088
local terms energy: -51.994289
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -2.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -80.101623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.101623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.101623 (E_RNA)
where:
Base-Base interactions energy: -28.529
where: short stacking energy: -28.529
Base-Backbone interact. energy: -0.118
local terms energy: -51.454519
where:
bonds (distance) C4'-P energy: -9.783
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -9.875
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: 9, replica: 7
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -87.083120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.083120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.083120 (E_RNA)
where:
Base-Base interactions energy: -32.549
where: short stacking energy: -23.965
Base-Backbone interact. energy: -0.414
local terms energy: -54.119952
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: 3.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -77.228454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.228454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.228454 (E_RNA)
where:
Base-Base interactions energy: -22.646
where: short stacking energy: -19.456
Base-Backbone interact. energy: -0.662
local terms energy: -53.920831
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -7.424
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: 1, replica: 5
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -209.364169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.364169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.364169 (E_RNA)
where:
Base-Base interactions energy: -137.917
where: short stacking energy: -60.288
Base-Backbone interact. energy: -0.187
local terms energy: -71.259847
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -16.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -176.930531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.930531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.930531 (E_RNA)
where:
Base-Base interactions energy: -107.069
where: short stacking energy: -51.031
Base-Backbone interact. energy: -0.356
local terms energy: -69.505659
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -14.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -171.264629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.264629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.264629 (E_RNA)
where:
Base-Base interactions energy: -99.462
where: short stacking energy: -56.739
Base-Backbone interact. energy: -0.083
local terms energy: -71.720234
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -13.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -190.365566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.365566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.365566 (E_RNA)
where:
Base-Base interactions energy: -113.511
where: short stacking energy: -60.526
Base-Backbone interact. energy: -0.361
local terms energy: -76.493593
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -18.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -155.811341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.811341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.811341 (E_RNA)
where:
Base-Base interactions energy: -96.768
where: short stacking energy: -52.418
Base-Backbone interact. energy: -0.310
local terms energy: -58.733216
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -14.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -117.782667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.782667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.782667 (E_RNA)
where:
Base-Base interactions energy: -68.356
where: short stacking energy: -39.171
Base-Backbone interact. energy: 1.822
local terms energy: -51.248397
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -9.441
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: 7, replica: 4
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -91.363326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.363326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.363326 (E_RNA)
where:
Base-Base interactions energy: -37.601
where: short stacking energy: -28.815
Base-Backbone interact. energy: -1.039
local terms energy: -52.722954
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -5.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -83.233874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.233874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.233874 (E_RNA)
where:
Base-Base interactions energy: -32.317
where: short stacking energy: -30.340
Base-Backbone interact. energy: -0.195
local terms energy: -50.721718
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -4.834
tors. eta vs tors. theta energy: -1.455
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: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -92.000361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.000361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.000361 (E_RNA)
where:
Base-Base interactions energy: -33.652
where: short stacking energy: -34.171
Base-Backbone interact. energy: -0.193
local terms energy: -58.155673
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -11.863
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -5.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -74.155889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.155889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.155889 (E_RNA)
where:
Base-Base interactions energy: -26.339
where: short stacking energy: -11.952
Base-Backbone interact. energy: 1.295
local terms energy: -49.111930
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -12.093
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: 2.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -219.779769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.779769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.779769 (E_RNA)
where:
Base-Base interactions energy: -147.787
where: short stacking energy: -57.800
Base-Backbone interact. energy: -0.261
local terms energy: -71.732373
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -15.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -183.953552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.953552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.953552 (E_RNA)
where:
Base-Base interactions energy: -105.716
where: short stacking energy: -62.485
Base-Backbone interact. energy: -2.081
local terms energy: -76.156113
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -17.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -196.170389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.170389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.170389 (E_RNA)
where:
Base-Base interactions energy: -120.634
where: short stacking energy: -67.010
Base-Backbone interact. energy: -0.276
local terms energy: -75.260213
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -21.010
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: 310
Temperature: 1.050000
Total energy: -164.581776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.581776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.581776 (E_RNA)
where:
Base-Base interactions energy: -96.024
where: short stacking energy: -55.580
Base-Backbone interact. energy: -0.004
local terms energy: -68.554067
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -12.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -153.840841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.840841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.840841 (E_RNA)
where:
Base-Base interactions energy: -93.300
where: short stacking energy: -54.204
Base-Backbone interact. energy: -0.107
local terms energy: -60.433829
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -12.302
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: 1
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -88.646264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.646264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.646264 (E_RNA)
where:
Base-Base interactions energy: -40.964
where: short stacking energy: -33.122
Base-Backbone interact. energy: -0.251
local terms energy: -47.431027
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -3.971
tors. eta vs tors. theta energy: -4.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -103.336668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.336668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.336668 (E_RNA)
where:
Base-Base interactions energy: -48.495
where: short stacking energy: -34.075
Base-Backbone interact. energy: 1.516
local terms energy: -56.357379
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -9.934
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: -8.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -80.310332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.310332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.310332 (E_RNA)
where:
Base-Base interactions energy: -31.490
where: short stacking energy: -23.570
Base-Backbone interact. energy: 0.091
local terms energy: -48.911394
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -12.685
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -4.851
tors. eta vs tors. theta energy: -1.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -95.356251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.356251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.356251 (E_RNA)
where:
Base-Base interactions energy: -41.020
where: short stacking energy: -36.925
Base-Backbone interact. energy: -0.054
local terms energy: -54.282902
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -11.712
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -4.894
tors. eta vs tors. theta energy: -10.763
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: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -73.888023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.888023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.888023 (E_RNA)
where:
Base-Base interactions energy: -28.743
where: short stacking energy: -26.831
Base-Backbone interact. energy: -0.013
local terms energy: -45.131540
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -2.464
tors. eta vs tors. theta energy: -0.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -207.941207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.941207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.941207 (E_RNA)
where:
Base-Base interactions energy: -125.652
where: short stacking energy: -63.693
Base-Backbone interact. energy: -0.321
local terms energy: -81.967981
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -19.354
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: 8
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -207.936500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.936500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.936500 (E_RNA)
where:
Base-Base interactions energy: -134.512
where: short stacking energy: -69.390
Base-Backbone interact. energy: -1.309
local terms energy: -72.115974
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -19.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -169.155732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.155732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.155732 (E_RNA)
where:
Base-Base interactions energy: -99.108
where: short stacking energy: -54.546
Base-Backbone interact. energy: -0.043
local terms energy: -70.004518
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -15.211
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -13.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -162.059095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.059095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.059095 (E_RNA)
where:
Base-Base interactions energy: -92.082
where: short stacking energy: -56.318
Base-Backbone interact. energy: -0.001
local terms energy: -69.976519
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -14.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -160.748612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.748612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.748612 (E_RNA)
where:
Base-Base interactions energy: -95.958
where: short stacking energy: -55.938
Base-Backbone interact. energy: -0.018
local terms energy: -64.773338
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -13.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -84.240597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.240597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.240597 (E_RNA)
where:
Base-Base interactions energy: -26.504
where: short stacking energy: -26.504
Base-Backbone interact. energy: -0.090
local terms energy: -57.646621
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -6.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -92.636317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.636317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.636317 (E_RNA)
where:
Base-Base interactions energy: -38.416
where: short stacking energy: -37.017
Base-Backbone interact. energy: -0.784
local terms energy: -53.436037
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -11.308
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -10.191
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: 311
Temperature: 1.250000
Total energy: -80.665270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.665270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.665270 (E_RNA)
where:
Base-Base interactions energy: -32.736
where: short stacking energy: -28.577
Base-Backbone interact. energy: -0.574
local terms energy: -47.355604
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -11.593
flat angles C4'-P-C4' energy: -10.505
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -3.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -74.206886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.206886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.206886 (E_RNA)
where:
Base-Base interactions energy: -24.618
where: short stacking energy: -21.903
Base-Backbone interact. energy: -0.228
local terms energy: -49.360424
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: 4.154
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: 311
Temperature: 1.350000
Total energy: -71.362765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.362765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.362765 (E_RNA)
where:
Base-Base interactions energy: -25.013
where: short stacking energy: -16.867
Base-Backbone interact. energy: -0.708
local terms energy: -45.642049
where:
bonds (distance) C4'-P energy: -10.135
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -1.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -211.388176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.388176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.388176 (E_RNA)
where:
Base-Base interactions energy: -138.751
where: short stacking energy: -65.488
Base-Backbone interact. energy: -0.010
local terms energy: -72.626630
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -17.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -190.409670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.409670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.409670 (E_RNA)
where:
Base-Base interactions energy: -118.146
where: short stacking energy: -50.722
Base-Backbone interact. energy: -0.856
local terms energy: -71.407604
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -12.924
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: 2
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -160.743809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.743809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.743809 (E_RNA)
where:
Base-Base interactions energy: -101.648
where: short stacking energy: -52.943
Base-Backbone interact. energy: -0.126
local terms energy: -58.969645
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -8.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -147.290535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.290535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.290535 (E_RNA)
where:
Base-Base interactions energy: -87.956
where: short stacking energy: -49.494
Base-Backbone interact. energy: -0.417
local terms energy: -58.917472
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -7.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -150.470703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.470703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.470703 (E_RNA)
where:
Base-Base interactions energy: -89.909
where: short stacking energy: -48.617
Base-Backbone interact. energy: -0.078
local terms energy: -60.483409
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -10.302
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: 6, replica: 1
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -89.861517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.861517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.861517 (E_RNA)
where:
Base-Base interactions energy: -37.793
where: short stacking energy: -37.793
Base-Backbone interact. energy: -0.078
local terms energy: -51.989828
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -12.538
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: 7, replica: 4
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -94.785401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.785401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.785401 (E_RNA)
where:
Base-Base interactions energy: -37.135
where: short stacking energy: -34.017
Base-Backbone interact. energy: -0.014
local terms energy: -57.636945
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -10.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -87.762490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.762490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.762490 (E_RNA)
where:
Base-Base interactions energy: -33.505
where: short stacking energy: -31.155
Base-Backbone interact. energy: -0.060
local terms energy: -54.197763
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -6.532
tors. eta vs tors. theta energy: -5.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -87.748495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.748495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.748495 (E_RNA)
where:
Base-Base interactions energy: -34.337
where: short stacking energy: -34.299
Base-Backbone interact. energy: -0.057
local terms energy: -53.354399
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -4.992
tors. eta vs tors. theta energy: -6.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -79.084286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.084286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.084286 (E_RNA)
where:
Base-Base interactions energy: -35.028
where: short stacking energy: -26.527
Base-Backbone interact. energy: -0.678
local terms energy: -43.378394
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -11.127
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -3.632
tors. eta vs tors. theta energy: -3.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -201.665452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.665452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.665452 (E_RNA)
where:
Base-Base interactions energy: -126.455
where: short stacking energy: -59.342
Base-Backbone interact. energy: -0.478
local terms energy: -74.733373
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -16.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -205.533724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.533724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.533724 (E_RNA)
where:
Base-Base interactions energy: -130.939
where: short stacking energy: -60.507
Base-Backbone interact. energy: -1.361
local terms energy: -73.234634
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -13.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -174.406141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.406141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.406141 (E_RNA)
where:
Base-Base interactions energy: -111.105
where: short stacking energy: -55.869
Base-Backbone interact. energy: -0.804
local terms energy: -62.497271
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -8.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -165.752811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.752811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.752811 (E_RNA)
where:
Base-Base interactions energy: -99.395
where: short stacking energy: -58.660
Base-Backbone interact. energy: -0.106
local terms energy: -66.251827
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -9.972
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: 3
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -160.858637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.858637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.858637 (E_RNA)
where:
Base-Base interactions energy: -107.021
where: short stacking energy: -45.788
Base-Backbone interact. energy: 0.535
local terms energy: -54.372607
where:
bonds (distance) C4'-P energy: -7.994
bonds (distance) P-C4' energy: -9.110
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -11.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -99.968803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.968803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.968803 (E_RNA)
where:
Base-Base interactions energy: -36.225
where: short stacking energy: -34.209
Base-Backbone interact. energy: -0.157
local terms energy: -63.586844
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -10.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -82.107544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.107544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.107544 (E_RNA)
where:
Base-Base interactions energy: -42.361
where: short stacking energy: -34.921
Base-Backbone interact. energy: -0.214
local terms energy: -39.532175
where:
bonds (distance) C4'-P energy: -9.031
bonds (distance) P-C4' energy: -9.056
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -3.804
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: 8, replica: 6
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -81.626868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.626868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.626868 (E_RNA)
where:
Base-Base interactions energy: -25.475
where: short stacking energy: -25.475
Base-Backbone interact. energy: -0.483
local terms energy: -55.668673
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -5.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -81.155260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.155260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.155260 (E_RNA)
where:
Base-Base interactions energy: -24.349
where: short stacking energy: -22.515
Base-Backbone interact. energy: -0.170
local terms energy: -56.636233
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -2.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -72.550169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.550169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.550169 (E_RNA)
where:
Base-Base interactions energy: -29.967
where: short stacking energy: -29.967
Base-Backbone interact. energy: -0.188
local terms energy: -42.394809
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -5.914
flat angles P-C4'-P energy: -8.555
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: 8
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -209.307917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.307917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.307917 (E_RNA)
where:
Base-Base interactions energy: -130.111
where: short stacking energy: -56.159
Base-Backbone interact. energy: -0.111
local terms energy: -79.085814
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -17.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -195.048748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.048748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.048748 (E_RNA)
where:
Base-Base interactions energy: -116.609
where: short stacking energy: -63.542
Base-Backbone interact. energy: -0.115
local terms energy: -78.324322
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -16.829
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -16.602
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: 2
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -172.643663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.643663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.643663 (E_RNA)
where:
Base-Base interactions energy: -103.239
where: short stacking energy: -56.841
Base-Backbone interact. energy: -0.042
local terms energy: -69.362856
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -13.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -154.218433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.218433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.218433 (E_RNA)
where:
Base-Base interactions energy: -89.416
where: short stacking energy: -47.207
Base-Backbone interact. energy: 0.914
local terms energy: -65.715875
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -8.586
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: 3
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -182.754467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.754467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.754467 (E_RNA)
where:
Base-Base interactions energy: -111.546
where: short stacking energy: -57.722
Base-Backbone interact. energy: -0.072
local terms energy: -71.136534
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -15.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -93.250866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.250866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.250866 (E_RNA)
where:
Base-Base interactions energy: -36.008
where: short stacking energy: -31.540
Base-Backbone interact. energy: -0.099
local terms energy: -57.143375
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -5.440
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: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -90.634197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.634197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.634197 (E_RNA)
where:
Base-Base interactions energy: -34.469
where: short stacking energy: -29.128
Base-Backbone interact. energy: -0.436
local terms energy: -55.728583
where:
bonds (distance) C4'-P energy: -10.991
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -6.375
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: 8, replica: 1
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -84.764691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.764691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.764691 (E_RNA)
where:
Base-Base interactions energy: -31.604
where: short stacking energy: -31.604
Base-Backbone interact. energy: -0.185
local terms energy: -52.975663
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -6.244
tors. eta vs tors. theta energy: -1.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -76.833857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.833857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.833857 (E_RNA)
where:
Base-Base interactions energy: -26.548
where: short stacking energy: -26.548
Base-Backbone interact. energy: -0.148
local terms energy: -50.138033
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -9.011
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -4.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -81.398943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.398943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.398943 (E_RNA)
where:
Base-Base interactions energy: -25.340
where: short stacking energy: -25.340
Base-Backbone interact. energy: -0.113
local terms energy: -55.946791
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -11.193
flat angles P-C4'-P energy: -8.843
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: 1, replica: 8
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -190.203467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.203467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.203467 (E_RNA)
where:
Base-Base interactions energy: -120.476
where: short stacking energy: -68.296
Base-Backbone interact. energy: -0.075
local terms energy: -69.652446
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -16.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -187.672272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.672272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.672272 (E_RNA)
where:
Base-Base interactions energy: -111.052
where: short stacking energy: -63.442
Base-Backbone interact. energy: -0.589
local terms energy: -76.031955
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -18.928
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: 3, replica: 2
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -184.773031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.773031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.773031 (E_RNA)
where:
Base-Base interactions energy: -115.424
where: short stacking energy: -64.168
Base-Backbone interact. energy: -0.031
local terms energy: -69.318603
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -19.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -172.452949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.452949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.452949 (E_RNA)
where:
Base-Base interactions energy: -104.670
where: short stacking energy: -52.937
Base-Backbone interact. energy: -0.919
local terms energy: -66.864915
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -13.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -169.672586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.672586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.672586 (E_RNA)
where:
Base-Base interactions energy: -106.238
where: short stacking energy: -50.071
Base-Backbone interact. energy: -0.458
local terms energy: -62.976253
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -11.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -89.501020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.501020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.501020 (E_RNA)
where:
Base-Base interactions energy: -28.070
where: short stacking energy: -25.457
Base-Backbone interact. energy: -0.089
local terms energy: -61.341745
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -4.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -95.923357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.923357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.923357 (E_RNA)
where:
Base-Base interactions energy: -37.709
where: short stacking energy: -32.674
Base-Backbone interact. energy: -2.584
local terms energy: -55.631080
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -4.120
tors. eta vs tors. theta energy: -8.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -82.422272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.422272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.422272 (E_RNA)
where:
Base-Base interactions energy: -26.418
where: short stacking energy: -26.418
Base-Backbone interact. energy: -0.059
local terms energy: -55.945424
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -6.558
tors. eta vs tors. theta energy: -4.788
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: 9, replica: 1
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -78.940170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.940170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.940170 (E_RNA)
where:
Base-Base interactions energy: -31.568
where: short stacking energy: -21.644
Base-Backbone interact. energy: -0.303
local terms energy: -47.069297
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: 4.824
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: 10
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -80.446627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.446627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.446627 (E_RNA)
where:
Base-Base interactions energy: -29.501
where: short stacking energy: -26.189
Base-Backbone interact. energy: -0.071
local terms energy: -50.874133
where:
bonds (distance) C4'-P energy: -8.643
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -4.392
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: 1, replica: 5
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -191.402387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.402387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.402387 (E_RNA)
where:
Base-Base interactions energy: -121.526
where: short stacking energy: -59.841
Base-Backbone interact. energy: 0.048
local terms energy: -69.924393
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -13.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -201.088788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.088788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.088788 (E_RNA)
where:
Base-Base interactions energy: -120.814
where: short stacking energy: -74.050
Base-Backbone interact. energy: -0.537
local terms energy: -79.738173
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -13.379
tors. eta vs tors. theta energy: -21.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -174.087389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.087389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.087389 (E_RNA)
where:
Base-Base interactions energy: -107.694
where: short stacking energy: -51.767
Base-Backbone interact. energy: -0.103
local terms energy: -66.290643
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -14.264
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: 2
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -191.289884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.289884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.289884 (E_RNA)
where:
Base-Base interactions energy: -118.502
where: short stacking energy: -62.087
Base-Backbone interact. energy: -0.047
local terms energy: -72.740907
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -17.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -95.348936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.348936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.348936 (E_RNA)
where:
Base-Base interactions energy: -36.960
where: short stacking energy: -33.886
Base-Backbone interact. energy: 0.579
local terms energy: -58.968297
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -11.515
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: 6, replica: 9
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -153.022129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.022129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.022129 (E_RNA)
where:
Base-Base interactions energy: -98.471
where: short stacking energy: -45.184
Base-Backbone interact. energy: -0.409
local terms energy: -54.142701
where:
bonds (distance) C4'-P energy: -9.612
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -11.074
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -8.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -86.203874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.203874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.203874 (E_RNA)
where:
Base-Base interactions energy: -44.475
where: short stacking energy: -28.161
Base-Backbone interact. energy: -0.436
local terms energy: -41.292473
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -9.116
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: 8, replica: 4
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -97.226188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.226188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.226188 (E_RNA)
where:
Base-Base interactions energy: -53.260
where: short stacking energy: -31.125
Base-Backbone interact. energy: 3.075
local terms energy: -47.041593
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -7.545
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: 9, replica: 10
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -80.288300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.288300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.288300 (E_RNA)
where:
Base-Base interactions energy: -21.541
where: short stacking energy: -21.541
Base-Backbone interact. energy: -0.149
local terms energy: -58.598829
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -5.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -74.675109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.675109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.675109 (E_RNA)
where:
Base-Base interactions energy: -25.159
where: short stacking energy: -21.693
Base-Backbone interact. energy: -0.557
local terms energy: -48.958695
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -10.631
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: 1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -189.836610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.836610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.836610 (E_RNA)
where:
Base-Base interactions energy: -114.191
where: short stacking energy: -65.207
Base-Backbone interact. energy: -0.204
local terms energy: -75.441564
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -15.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -190.809060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.809060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.809060 (E_RNA)
where:
Base-Base interactions energy: -121.155
where: short stacking energy: -65.153
Base-Backbone interact. energy: -0.068
local terms energy: -69.585992
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -16.780
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: 8
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -191.661720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.661720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.661720 (E_RNA)
where:
Base-Base interactions energy: -120.144
where: short stacking energy: -65.235
Base-Backbone interact. energy: -0.887
local terms energy: -70.630850
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -12.506
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -17.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -184.149929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.149929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.149929 (E_RNA)
where:
Base-Base interactions energy: -115.981
where: short stacking energy: -62.144
Base-Backbone interact. energy: -0.002
local terms energy: -68.166924
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -18.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -114.400304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.400304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.400304 (E_RNA)
where:
Base-Base interactions energy: -58.372
where: short stacking energy: -42.238
Base-Backbone interact. energy: -0.206
local terms energy: -55.822432
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -8.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -143.234255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.234255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.234255 (E_RNA)
where:
Base-Base interactions energy: -84.069
where: short stacking energy: -43.783
Base-Backbone interact. energy: -0.059
local terms energy: -59.106277
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -8.931
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: 7
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -95.515692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.515692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.515692 (E_RNA)
where:
Base-Base interactions energy: -39.983
where: short stacking energy: -37.084
Base-Backbone interact. energy: -0.119
local terms energy: -55.414048
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -5.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -91.328533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.328533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.328533 (E_RNA)
where:
Base-Base interactions energy: -39.869
where: short stacking energy: -28.058
Base-Backbone interact. energy: 0.244
local terms energy: -51.702982
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -5.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -75.933504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.933504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.933504 (E_RNA)
where:
Base-Base interactions energy: -28.987
where: short stacking energy: -23.373
Base-Backbone interact. energy: 0.724
local terms energy: -47.670157
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -0.820
tors. eta vs tors. theta energy: -4.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -75.860461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.860461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.860461 (E_RNA)
where:
Base-Base interactions energy: -30.527
where: short stacking energy: -28.080
Base-Backbone interact. energy: -0.155
local terms energy: -45.178613
where:
bonds (distance) C4'-P energy: -5.818
bonds (distance) P-C4' energy: -12.102
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -3.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -193.053394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.053394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.053394 (E_RNA)
where:
Base-Base interactions energy: -121.959
where: short stacking energy: -53.331
Base-Backbone interact. energy: -0.810
local terms energy: -70.284853
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -10.562
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: 2, replica: 5
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -204.742140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.742140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.742140 (E_RNA)
where:
Base-Base interactions energy: -133.916
where: short stacking energy: -57.321
Base-Backbone interact. energy: -0.408
local terms energy: -70.417984
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -11.416
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -12.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -178.972571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.972571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.972571 (E_RNA)
where:
Base-Base interactions energy: -107.918
where: short stacking energy: -59.111
Base-Backbone interact. energy: -0.035
local terms energy: -71.020189
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -16.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -177.078019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.078019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.078019 (E_RNA)
where:
Base-Base interactions energy: -104.002
where: short stacking energy: -55.510
Base-Backbone interact. energy: -0.129
local terms energy: -72.947432
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -16.250
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: 5, replica: 9
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -134.295807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.295807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.295807 (E_RNA)
where:
Base-Base interactions energy: -69.192
where: short stacking energy: -43.492
Base-Backbone interact. energy: -0.007
local terms energy: -65.096319
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -11.674
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -13.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -97.943665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.943665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.943665 (E_RNA)
where:
Base-Base interactions energy: -38.311
where: short stacking energy: -38.311
Base-Backbone interact. energy: -0.142
local terms energy: -59.491011
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -3.738
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: 7
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -93.277930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.277930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.277930 (E_RNA)
where:
Base-Base interactions energy: -49.550
where: short stacking energy: -32.927
Base-Backbone interact. energy: -0.925
local terms energy: -42.803207
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: 2.130
tors. eta vs tors. theta energy: -7.586
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: 318
Temperature: 1.250000
Total energy: -90.769722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.769722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.769722 (E_RNA)
where:
Base-Base interactions energy: -47.256
where: short stacking energy: -30.944
Base-Backbone interact. energy: -0.278
local terms energy: -43.236014
where:
bonds (distance) C4'-P energy: -6.440
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -6.804
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: 1
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -79.675729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.675729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.675729 (E_RNA)
where:
Base-Base interactions energy: -27.748
where: short stacking energy: -25.285
Base-Backbone interact. energy: -0.082
local terms energy: -51.845947
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -5.684
tors. eta vs tors. theta energy: -7.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -76.583853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.583853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.583853 (E_RNA)
where:
Base-Base interactions energy: -26.073
where: short stacking energy: -26.073
Base-Backbone interact. energy: 0.528
local terms energy: -51.038847
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -6.809
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -5.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -197.332182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.332182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.332182 (E_RNA)
where:
Base-Base interactions energy: -116.496
where: short stacking energy: -68.794
Base-Backbone interact. energy: -0.026
local terms energy: -80.810538
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -22.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -198.501324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.501324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.501324 (E_RNA)
where:
Base-Base interactions energy: -128.034
where: short stacking energy: -64.277
Base-Backbone interact. energy: -1.166
local terms energy: -69.301372
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -9.498
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -17.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -174.324198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.324198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.324198 (E_RNA)
where:
Base-Base interactions energy: -101.052
where: short stacking energy: -54.293
Base-Backbone interact. energy: -0.002
local terms energy: -73.269300
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -13.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -142.295196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.295196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.295196 (E_RNA)
where:
Base-Base interactions energy: -80.935
where: short stacking energy: -49.494
Base-Backbone interact. energy: -1.065
local terms energy: -60.294879
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -12.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -158.090384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.090384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.090384 (E_RNA)
where:
Base-Base interactions energy: -102.548
where: short stacking energy: -53.991
Base-Backbone interact. energy: -0.276
local terms energy: -55.265803
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -9.931
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -11.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -126.846544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.846544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.846544 (E_RNA)
where:
Base-Base interactions energy: -69.240
where: short stacking energy: -48.068
Base-Backbone interact. energy: -0.575
local terms energy: -57.031239
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -9.314
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: 6
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -96.268699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.268699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.268699 (E_RNA)
where:
Base-Base interactions energy: -47.405
where: short stacking energy: -29.818
Base-Backbone interact. energy: -0.393
local terms energy: -48.470713
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: -3.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -81.374716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.374716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.374716 (E_RNA)
where:
Base-Base interactions energy: -38.995
where: short stacking energy: -37.771
Base-Backbone interact. energy: -0.091
local terms energy: -42.289239
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -4.908
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -6.973
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: 319
Temperature: 1.300000
Total energy: -85.081082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.081082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.081082 (E_RNA)
where:
Base-Base interactions energy: -26.219
where: short stacking energy: -24.049
Base-Backbone interact. energy: -0.533
local terms energy: -58.328756
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -5.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -75.259241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.259241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.259241 (E_RNA)
where:
Base-Base interactions energy: -22.133
where: short stacking energy: -22.060
Base-Backbone interact. energy: -0.004
local terms energy: -53.121752
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -7.985
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: 5
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -202.870693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.870693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.870693 (E_RNA)
where:
Base-Base interactions energy: -129.611
where: short stacking energy: -56.549
Base-Backbone interact. energy: -2.060
local terms energy: -71.198978
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -17.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -182.727073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.727073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.727073 (E_RNA)
where:
Base-Base interactions energy: -112.851
where: short stacking energy: -58.460
Base-Backbone interact. energy: -0.011
local terms energy: -69.864914
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -8.643
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: 3, replica: 2
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -192.706599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.706599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.706599 (E_RNA)
where:
Base-Base interactions energy: -115.129
where: short stacking energy: -53.485
Base-Backbone interact. energy: -0.615
local terms energy: -76.962029
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -19.286
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -16.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -135.159300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.159300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.159300 (E_RNA)
where:
Base-Base interactions energy: -77.151
where: short stacking energy: -38.892
Base-Backbone interact. energy: -0.311
local terms energy: -57.697083
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -14.031
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -5.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -158.656484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.656484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.656484 (E_RNA)
where:
Base-Base interactions energy: -92.558
where: short stacking energy: -49.240
Base-Backbone interact. energy: -0.755
local terms energy: -65.343520
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -10.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -140.117359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.117359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.117359 (E_RNA)
where:
Base-Base interactions energy: -81.018
where: short stacking energy: -43.040
Base-Backbone interact. energy: -0.128
local terms energy: -58.971839
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -4.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -91.412839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.412839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.412839 (E_RNA)
where:
Base-Base interactions energy: -37.051
where: short stacking energy: -34.922
Base-Backbone interact. energy: 1.936
local terms energy: -56.297675
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -6.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -80.339684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.339684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.339684 (E_RNA)
where:
Base-Base interactions energy: -28.251
where: short stacking energy: -28.251
Base-Backbone interact. energy: -0.185
local terms energy: -51.903465
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -11.308
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -4.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -79.605801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.605801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.605801 (E_RNA)
where:
Base-Base interactions energy: -26.910
where: short stacking energy: -26.910
Base-Backbone interact. energy: -0.108
local terms energy: -52.587421
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -6.328
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: 10, replica: 10
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -73.876009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.876009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.876009 (E_RNA)
where:
Base-Base interactions energy: -28.790
where: short stacking energy: -24.328
Base-Backbone interact. energy: -0.005
local terms energy: -45.080923
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -7.642
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: 321
Temperature: 0.900000
Total energy: -208.938351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.938351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.938351 (E_RNA)
where:
Base-Base interactions energy: -141.701
where: short stacking energy: -66.817
Base-Backbone interact. energy: -0.208
local terms energy: -67.029564
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: -17.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -191.705188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.705188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.705188 (E_RNA)
where:
Base-Base interactions energy: -114.224
where: short stacking energy: -67.807
Base-Backbone interact. energy: -0.695
local terms energy: -76.786206
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -16.228
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: 321
Temperature: 1.000000
Total energy: -169.862086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.862086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.862086 (E_RNA)
where:
Base-Base interactions energy: -102.840
where: short stacking energy: -52.732
Base-Backbone interact. energy: -0.073
local terms energy: -66.949616
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -11.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -168.080414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.080414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.080414 (E_RNA)
where:
Base-Base interactions energy: -101.883
where: short stacking energy: -56.697
Base-Backbone interact. energy: -0.200
local terms energy: -65.997864
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -10.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -132.405212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.405212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.405212 (E_RNA)
where:
Base-Base interactions energy: -79.856
where: short stacking energy: -38.214
Base-Backbone interact. energy: -0.152
local terms energy: -52.397750
where:
bonds (distance) C4'-P energy: -7.020
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -5.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -132.868169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.868169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.868169 (E_RNA)
where:
Base-Base interactions energy: -71.209
where: short stacking energy: -38.525
Base-Backbone interact. energy: -1.005
local terms energy: -60.653601
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -10.829
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: 1
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -100.048731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.048731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.048731 (E_RNA)
where:
Base-Base interactions energy: -42.358
where: short stacking energy: -31.139
Base-Backbone interact. energy: -0.412
local terms energy: -57.278385
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -5.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -85.628883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.628883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.628883 (E_RNA)
where:
Base-Base interactions energy: -37.490
where: short stacking energy: -25.251
Base-Backbone interact. energy: 0.150
local terms energy: -48.288913
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -4.118
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: 9, replica: 6
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -73.551764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.551764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.551764 (E_RNA)
where:
Base-Base interactions energy: -27.684
where: short stacking energy: -27.684
Base-Backbone interact. energy: -0.085
local terms energy: -45.782635
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -10.694
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -0.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -70.627685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.627685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.627685 (E_RNA)
where:
Base-Base interactions energy: -31.173
where: short stacking energy: -14.315
Base-Backbone interact. energy: 0.328
local terms energy: -39.782249
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -6.530
flat angles P-C4'-P energy: -7.484
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: 1, replica: 5
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -206.645135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.645135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.645135 (E_RNA)
where:
Base-Base interactions energy: -141.781
where: short stacking energy: -64.929
Base-Backbone interact. energy: -0.109
local terms energy: -64.755102
where:
bonds (distance) C4'-P energy: -8.767
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -14.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -193.957659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.957659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.957659 (E_RNA)
where:
Base-Base interactions energy: -121.241
where: short stacking energy: -70.575
Base-Backbone interact. energy: -0.631
local terms energy: -72.085328
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -20.428
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: 8
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -175.169949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.169949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.169949 (E_RNA)
where:
Base-Base interactions energy: -107.651
where: short stacking energy: -60.866
Base-Backbone interact. energy: -0.135
local terms energy: -67.383528
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -14.387
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: 3
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -182.282637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.282637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.282637 (E_RNA)
where:
Base-Base interactions energy: -107.816
where: short stacking energy: -60.757
Base-Backbone interact. energy: -0.001
local terms energy: -74.465972
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -19.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -164.090240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.090240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.090240 (E_RNA)
where:
Base-Base interactions energy: -92.376
where: short stacking energy: -55.818
Base-Backbone interact. energy: -0.019
local terms energy: -71.695406
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -15.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -85.852138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.852138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.852138 (E_RNA)
where:
Base-Base interactions energy: -35.801
where: short stacking energy: -20.348
Base-Backbone interact. energy: -0.258
local terms energy: -49.792859
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: 5.970
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: 7, replica: 4
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -80.606876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.606876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.606876 (E_RNA)
where:
Base-Base interactions energy: -35.139
where: short stacking energy: -30.429
Base-Backbone interact. energy: 0.178
local terms energy: -45.646783
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: 0.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -86.663917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.663917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.663917 (E_RNA)
where:
Base-Base interactions energy: -35.344
where: short stacking energy: -35.344
Base-Backbone interact. energy: -0.107
local terms energy: -51.213208
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -3.698
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -8.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -73.678403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.678403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.678403 (E_RNA)
where:
Base-Base interactions energy: -28.820
where: short stacking energy: -28.485
Base-Backbone interact. energy: -0.865
local terms energy: -43.993030
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -10.472
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: 0.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -73.585645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.585645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.585645 (E_RNA)
where:
Base-Base interactions energy: -28.509
where: short stacking energy: -29.309
Base-Backbone interact. energy: -0.133
local terms energy: -44.943747
where:
bonds (distance) C4'-P energy: -8.060
bonds (distance) P-C4' energy: -10.339
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -3.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -203.004899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.004899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.004899 (E_RNA)
where:
Base-Base interactions energy: -132.498
where: short stacking energy: -61.794
Base-Backbone interact. energy: -0.806
local terms energy: -69.701189
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -14.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -202.540092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.540092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.540092 (E_RNA)
where:
Base-Base interactions energy: -126.624
where: short stacking energy: -56.722
Base-Backbone interact. energy: -0.698
local terms energy: -75.217737
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -9.597
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: 3, replica: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -185.194315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.194315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.194315 (E_RNA)
where:
Base-Base interactions energy: -110.579
where: short stacking energy: -56.920
Base-Backbone interact. energy: -0.011
local terms energy: -74.604307
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: -17.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -171.055539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.055539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.055539 (E_RNA)
where:
Base-Base interactions energy: -101.958
where: short stacking energy: -43.176
Base-Backbone interact. energy: -0.085
local terms energy: -69.012123
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -12.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -169.595656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.595656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.595656 (E_RNA)
where:
Base-Base interactions energy: -104.634
where: short stacking energy: -54.249
Base-Backbone interact. energy: -0.000
local terms energy: -64.961070
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -10.422
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -11.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -100.264207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.264207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.264207 (E_RNA)
where:
Base-Base interactions energy: -41.222
where: short stacking energy: -37.891
Base-Backbone interact. energy: -0.368
local terms energy: -58.674979
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -4.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -101.082075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.082075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.082075 (E_RNA)
where:
Base-Base interactions energy: -49.506
where: short stacking energy: -35.229
Base-Backbone interact. energy: 0.395
local terms energy: -51.970964
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -3.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -82.362751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.362751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.362751 (E_RNA)
where:
Base-Base interactions energy: -32.112
where: short stacking energy: -18.562
Base-Backbone interact. energy: -0.565
local terms energy: -49.685787
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -0.589
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: 323
Temperature: 1.300000
Total energy: -79.724002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.724002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.724002 (E_RNA)
where:
Base-Base interactions energy: -26.174
where: short stacking energy: -24.511
Base-Backbone interact. energy: -0.085
local terms energy: -53.464772
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -10.232
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -8.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -81.069012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.069012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.069012 (E_RNA)
where:
Base-Base interactions energy: -24.069
where: short stacking energy: -24.069
Base-Backbone interact. energy: -0.105
local terms energy: -56.895009
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -11.006
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -7.757
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: 2
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -201.426636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.426636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.426636 (E_RNA)
where:
Base-Base interactions energy: -134.179
where: short stacking energy: -56.255
Base-Backbone interact. energy: -0.769
local terms energy: -66.478216
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -11.853
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: 324
Temperature: 0.950000
Total energy: -188.100243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.100243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.100243 (E_RNA)
where:
Base-Base interactions energy: -117.808
where: short stacking energy: -60.481
Base-Backbone interact. energy: -1.010
local terms energy: -69.281587
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -5.676
tors. eta vs tors. theta energy: -16.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -189.600299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.600299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.600299 (E_RNA)
where:
Base-Base interactions energy: -114.458
where: short stacking energy: -66.032
Base-Backbone interact. energy: -0.034
local terms energy: -75.107983
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -20.241
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: 9
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -164.288228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.288228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.288228 (E_RNA)
where:
Base-Base interactions energy: -96.165
where: short stacking energy: -53.304
Base-Backbone interact. energy: -0.483
local terms energy: -67.640330
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -13.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -180.547334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.547334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.547334 (E_RNA)
where:
Base-Base interactions energy: -113.800
where: short stacking energy: -60.153
Base-Backbone interact. energy: -0.091
local terms energy: -66.656441
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -11.221
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -17.316
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: 4
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -101.266637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.266637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.266637 (E_RNA)
where:
Base-Base interactions energy: -38.837
where: short stacking energy: -34.203
Base-Backbone interact. energy: -0.896
local terms energy: -61.533778
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -8.156
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: 1
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -83.561733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.561733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.561733 (E_RNA)
where:
Base-Base interactions energy: -29.315
where: short stacking energy: -16.575
Base-Backbone interact. energy: -0.610
local terms energy: -53.636820
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -2.062
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: 7
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -85.858871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.858871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.858871 (E_RNA)
where:
Base-Base interactions energy: -34.067
where: short stacking energy: -34.067
Base-Backbone interact. energy: -0.107
local terms energy: -51.685567
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -8.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -78.135863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.135863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.135863 (E_RNA)
where:
Base-Base interactions energy: -22.668
where: short stacking energy: -23.268
Base-Backbone interact. energy: -0.019
local terms energy: -55.448334
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -6.395
tors. eta vs tors. theta energy: -3.882
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: 10, replica: 10
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -78.984618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.984618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.984618 (E_RNA)
where:
Base-Base interactions energy: -29.420
where: short stacking energy: -29.420
Base-Backbone interact. energy: -0.226
local terms energy: -49.338510
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: -1.311
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: 2
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -199.191707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.191707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.191707 (E_RNA)
where:
Base-Base interactions energy: -129.766
where: short stacking energy: -59.021
Base-Backbone interact. energy: -0.421
local terms energy: -69.004852
where:
bonds (distance) C4'-P energy: -16.897
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -13.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -201.745127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.745127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.745127 (E_RNA)
where:
Base-Base interactions energy: -135.831
where: short stacking energy: -62.669
Base-Backbone interact. energy: -0.342
local terms energy: -65.572258
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -15.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -173.520801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.520801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.520801 (E_RNA)
where:
Base-Base interactions energy: -103.246
where: short stacking energy: -62.204
Base-Backbone interact. energy: -0.746
local terms energy: -69.529426
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -15.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -178.783451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.783451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.783451 (E_RNA)
where:
Base-Base interactions energy: -103.584
where: short stacking energy: -54.072
Base-Backbone interact. energy: -0.005
local terms energy: -75.194575
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -14.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -166.255033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.255033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.255033 (E_RNA)
where:
Base-Base interactions energy: -98.885
where: short stacking energy: -53.897
Base-Backbone interact. energy: 1.281
local terms energy: -68.650120
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -13.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -100.735160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.735160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.735160 (E_RNA)
where:
Base-Base interactions energy: -56.837
where: short stacking energy: -20.048
Base-Backbone interact. energy: -0.430
local terms energy: -43.467657
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -8.949
flat angles P-C4'-P energy: -13.349
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: 7, replica: 4
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -84.240738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.240738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.240738 (E_RNA)
where:
Base-Base interactions energy: -37.505
where: short stacking energy: -27.361
Base-Backbone interact. energy: -0.137
local terms energy: -46.597885
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -9.813
flat angles P-C4'-P energy: -4.307
tors. eta vs tors. theta energy: -1.314
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: 325
Temperature: 1.250000
Total energy: -85.591931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.591931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.591931 (E_RNA)
where:
Base-Base interactions energy: -27.866
where: short stacking energy: -27.866
Base-Backbone interact. energy: -0.162
local terms energy: -57.563906
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -14.677
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -3.230
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: 7
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -80.834045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.834045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.834045 (E_RNA)
where:
Base-Base interactions energy: -31.163
where: short stacking energy: -31.226
Base-Backbone interact. energy: -0.161
local terms energy: -49.509460
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -10.592
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: -3.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -76.769329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.769329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.769329 (E_RNA)
where:
Base-Base interactions energy: -30.830
where: short stacking energy: -30.830
Base-Backbone interact. energy: 1.024
local terms energy: -46.963329
where:
bonds (distance) C4'-P energy: -8.982
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -6.176
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -4.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -213.338496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.338496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.338496 (E_RNA)
where:
Base-Base interactions energy: -135.654
where: short stacking energy: -67.721
Base-Backbone interact. energy: -0.389
local terms energy: -77.295598
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -19.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -184.238751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.238751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.238751 (E_RNA)
where:
Base-Base interactions energy: -112.100
where: short stacking energy: -62.062
Base-Backbone interact. energy: -0.002
local terms energy: -72.136539
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -10.733
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -18.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -191.998752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.998752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.998752 (E_RNA)
where:
Base-Base interactions energy: -125.567
where: short stacking energy: -65.188
Base-Backbone interact. energy: -0.010
local terms energy: -66.421367
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -12.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -168.209223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.209223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.209223 (E_RNA)
where:
Base-Base interactions energy: -101.460
where: short stacking energy: -49.684
Base-Backbone interact. energy: -0.347
local terms energy: -66.401868
where:
bonds (distance) C4'-P energy: -10.459
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -14.420
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: 5, replica: 9
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -166.262862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.262862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.262862 (E_RNA)
where:
Base-Base interactions energy: -104.613
where: short stacking energy: -58.479
Base-Backbone interact. energy: -0.202
local terms energy: -61.447820
where:
bonds (distance) C4'-P energy: -9.240
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -11.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -98.468187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.468187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.468187 (E_RNA)
where:
Base-Base interactions energy: -40.393
where: short stacking energy: -37.236
Base-Backbone interact. energy: -0.049
local terms energy: -58.026056
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -9.580
flat angles P-C4'-P energy: -9.517
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: 7, replica: 6
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -97.573376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.573376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.573376 (E_RNA)
where:
Base-Base interactions energy: -35.138
where: short stacking energy: -32.711
Base-Backbone interact. energy: -0.083
local terms energy: -62.352594
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -6.788
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: 4
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -81.401300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.401300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.401300 (E_RNA)
where:
Base-Base interactions energy: -31.863
where: short stacking energy: -28.714
Base-Backbone interact. energy: 0.801
local terms energy: -50.339570
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -9.224
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -4.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -82.304947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.304947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.304947 (E_RNA)
where:
Base-Base interactions energy: -31.239
where: short stacking energy: -26.361
Base-Backbone interact. energy: -0.257
local terms energy: -50.809115
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -5.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -80.006524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.006524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.006524 (E_RNA)
where:
Base-Base interactions energy: -29.900
where: short stacking energy: -28.406
Base-Backbone interact. energy: -0.250
local terms energy: -49.855745
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: 0.388
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: 1, replica: 8
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -206.938650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.938650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.938650 (E_RNA)
where:
Base-Base interactions energy: -132.996
where: short stacking energy: -67.741
Base-Backbone interact. energy: -0.159
local terms energy: -73.784362
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -17.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -204.228523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.228523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.228523 (E_RNA)
where:
Base-Base interactions energy: -128.728
where: short stacking energy: -68.986
Base-Backbone interact. energy: -0.035
local terms energy: -75.464845
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -20.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -189.373704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.373704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.373704 (E_RNA)
where:
Base-Base interactions energy: -116.345
where: short stacking energy: -62.736
Base-Backbone interact. energy: -0.120
local terms energy: -72.909176
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -19.189
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: 3
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -167.172306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.172306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.172306 (E_RNA)
where:
Base-Base interactions energy: -97.430
where: short stacking energy: -58.018
Base-Backbone interact. energy: -0.000
local terms energy: -69.741588
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -13.999
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: 9
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -147.194100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.194100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.194100 (E_RNA)
where:
Base-Base interactions energy: -92.628
where: short stacking energy: -50.056
Base-Backbone interact. energy: -0.052
local terms energy: -54.513800
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -10.806
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -6.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -104.280053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.280053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.280053 (E_RNA)
where:
Base-Base interactions energy: -40.354
where: short stacking energy: -36.115
Base-Backbone interact. energy: 0.002
local terms energy: -63.928068
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -11.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -89.269486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.269486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.269486 (E_RNA)
where:
Base-Base interactions energy: -26.348
where: short stacking energy: -18.334
Base-Backbone interact. energy: -0.306
local terms energy: -62.615994
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -10.667
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: 8, replica: 10
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -80.150465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.150465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.150465 (E_RNA)
where:
Base-Base interactions energy: -30.779
where: short stacking energy: -30.905
Base-Backbone interact. energy: -0.118
local terms energy: -49.253170
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -0.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -82.599389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.599389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.599389 (E_RNA)
where:
Base-Base interactions energy: -40.287
where: short stacking energy: -37.913
Base-Backbone interact. energy: -0.124
local terms energy: -42.187668
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -10.724
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -2.885
tors. eta vs tors. theta energy: -5.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -77.775849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.775849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.775849 (E_RNA)
where:
Base-Base interactions energy: -23.480
where: short stacking energy: -23.309
Base-Backbone interact. energy: -0.223
local terms energy: -54.073181
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -0.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -191.255920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.255920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.255920 (E_RNA)
where:
Base-Base interactions energy: -121.852
where: short stacking energy: -63.698
Base-Backbone interact. energy: -0.240
local terms energy: -69.163682
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -15.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -202.954041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.954041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.954041 (E_RNA)
where:
Base-Base interactions energy: -130.772
where: short stacking energy: -69.385
Base-Backbone interact. energy: -0.079
local terms energy: -72.102843
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -18.368
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: 328
Temperature: 1.000000
Total energy: -179.490208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.490208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.490208 (E_RNA)
where:
Base-Base interactions energy: -107.491
where: short stacking energy: -60.824
Base-Backbone interact. energy: -0.000
local terms energy: -71.999022
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -11.885
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -19.501
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: 2
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -200.482285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.482285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.482285 (E_RNA)
where:
Base-Base interactions energy: -123.455
where: short stacking energy: -67.928
Base-Backbone interact. energy: -0.338
local terms energy: -76.689045
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -22.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -137.034354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.034354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.034354 (E_RNA)
where:
Base-Base interactions energy: -86.160
where: short stacking energy: -50.611
Base-Backbone interact. energy: -0.236
local terms energy: -50.638826
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -10.406
flat angles C4'-P-C4' energy: -7.451
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -8.239
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: 6, replica: 6
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -99.898624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.898624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.898624 (E_RNA)
where:
Base-Base interactions energy: -47.541
where: short stacking energy: -29.158
Base-Backbone interact. energy: -0.083
local terms energy: -52.274087
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -9.094
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: 7, replica: 10
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -94.964950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.964950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.964950 (E_RNA)
where:
Base-Base interactions energy: -42.054
where: short stacking energy: -36.144
Base-Backbone interact. energy: -0.105
local terms energy: -52.805589
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -3.839
tors. eta vs tors. theta energy: -5.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -78.581793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.581793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.581793 (E_RNA)
where:
Base-Base interactions energy: -34.738
where: short stacking energy: -22.799
Base-Backbone interact. energy: -0.190
local terms energy: -43.653582
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -6.641
tors. eta vs tors. theta energy: 3.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -79.589350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.589350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.589350 (E_RNA)
where:
Base-Base interactions energy: -35.700
where: short stacking energy: -26.616
Base-Backbone interact. energy: -0.157
local terms energy: -43.732116
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -9.802
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -5.526
tors. eta vs tors. theta energy: 0.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -78.162978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.162978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.162978 (E_RNA)
where:
Base-Base interactions energy: -28.081
where: short stacking energy: -23.635
Base-Backbone interact. energy: -0.273
local terms energy: -49.808723
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: 0.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -203.431606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.431606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.431606 (E_RNA)
where:
Base-Base interactions energy: -121.459
where: short stacking energy: -59.769
Base-Backbone interact. energy: -0.010
local terms energy: -81.962826
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -17.201
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: 5
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -193.791847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.791847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.791847 (E_RNA)
where:
Base-Base interactions energy: -119.596
where: short stacking energy: -65.109
Base-Backbone interact. energy: -0.160
local terms energy: -74.035709
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -13.669
tors. eta vs tors. theta energy: -20.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -181.046168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.046168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.046168 (E_RNA)
where:
Base-Base interactions energy: -110.262
where: short stacking energy: -56.747
Base-Backbone interact. energy: -0.177
local terms energy: -70.606338
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -13.552
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: 4, replica: 2
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -177.606138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.606138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.606138 (E_RNA)
where:
Base-Base interactions energy: -109.609
where: short stacking energy: -56.217
Base-Backbone interact. energy: -0.002
local terms energy: -67.995247
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -12.537
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: -12.354
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: 9
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -152.752310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.752310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.752310 (E_RNA)
where:
Base-Base interactions energy: -91.086
where: short stacking energy: -50.927
Base-Backbone interact. energy: -0.038
local terms energy: -61.628283
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -10.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -95.981558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.981558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.981558 (E_RNA)
where:
Base-Base interactions energy: -37.941
where: short stacking energy: -31.492
Base-Backbone interact. energy: 1.475
local terms energy: -59.514811
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -6.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -93.381418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.381418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.381418 (E_RNA)
where:
Base-Base interactions energy: -37.291
where: short stacking energy: -37.291
Base-Backbone interact. energy: -0.155
local terms energy: -55.935028
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -4.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -102.371101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.371101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.371101 (E_RNA)
where:
Base-Base interactions energy: -52.720
where: short stacking energy: -27.966
Base-Backbone interact. energy: -0.115
local terms energy: -49.536153
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -7.789
flat angles P-C4'-P energy: -3.527
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: 9, replica: 1
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -77.232102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.232102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.232102 (E_RNA)
where:
Base-Base interactions energy: -27.440
where: short stacking energy: -26.269
Base-Backbone interact. energy: 0.793
local terms energy: -50.585310
where:
bonds (distance) C4'-P energy: -10.644
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -89.120646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.120646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.120646 (E_RNA)
where:
Base-Base interactions energy: -35.249
where: short stacking energy: -31.625
Base-Backbone interact. energy: -0.130
local terms energy: -53.741044
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -7.043
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -3.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -203.440294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.440294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.440294 (E_RNA)
where:
Base-Base interactions energy: -127.715
where: short stacking energy: -66.349
Base-Backbone interact. energy: -0.033
local terms energy: -75.692816
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -16.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -185.824155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.824155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.824155 (E_RNA)
where:
Base-Base interactions energy: -115.921
where: short stacking energy: -58.352
Base-Backbone interact. energy: -0.084
local terms energy: -69.819725
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -15.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -162.541844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.541844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.541844 (E_RNA)
where:
Base-Base interactions energy: -92.795
where: short stacking energy: -47.484
Base-Backbone interact. energy: -0.202
local terms energy: -69.545086
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -15.879
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -10.296
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: 3
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -176.897185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.897185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.897185 (E_RNA)
where:
Base-Base interactions energy: -106.013
where: short stacking energy: -50.190
Base-Backbone interact. energy: -0.081
local terms energy: -70.803356
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -9.557
flat angles C4'-P-C4' energy: -18.398
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -16.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -104.774847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.774847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.774847 (E_RNA)
where:
Base-Base interactions energy: -42.326
where: short stacking energy: -36.953
Base-Backbone interact. energy: -0.081
local terms energy: -62.368323
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -10.039
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -12.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -138.808769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.808769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.808769 (E_RNA)
where:
Base-Base interactions energy: -80.395
where: short stacking energy: -41.721
Base-Backbone interact. energy: -0.021
local terms energy: -58.392020
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -6.904
tors. eta vs tors. theta energy: -11.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -96.519397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.519397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.519397 (E_RNA)
where:
Base-Base interactions energy: -55.862
where: short stacking energy: -26.684
Base-Backbone interact. energy: -0.179
local terms energy: -40.478667
where:
bonds (distance) C4'-P energy: -7.490
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -7.895
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -3.318
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: 330
Temperature: 1.250000
Total energy: -77.321614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.321614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.321614 (E_RNA)
where:
Base-Base interactions energy: -26.753
where: short stacking energy: -26.753
Base-Backbone interact. energy: -0.093
local terms energy: -50.475747
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -5.110
tors. eta vs tors. theta energy: -6.316
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: 4
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -78.629806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.629806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.629806 (E_RNA)
where:
Base-Base interactions energy: -25.215
where: short stacking energy: -22.810
Base-Backbone interact. energy: -0.020
local terms energy: -53.394752
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -2.655
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: 1
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -77.792603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.792603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.792603 (E_RNA)
where:
Base-Base interactions energy: -25.335
where: short stacking energy: -21.441
Base-Backbone interact. energy: -0.094
local terms energy: -52.363374
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -6.929
tors. eta vs tors. theta energy: -5.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -215.646156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.646156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.646156 (E_RNA)
where:
Base-Base interactions energy: -139.730
where: short stacking energy: -69.636
Base-Backbone interact. energy: -0.151
local terms energy: -75.765866
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -19.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -211.334219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.334219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.334219 (E_RNA)
where:
Base-Base interactions energy: -134.623
where: short stacking energy: -65.687
Base-Backbone interact. energy: -0.908
local terms energy: -75.803729
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -21.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -183.782496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.782496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.782496 (E_RNA)
where:
Base-Base interactions energy: -110.424
where: short stacking energy: -62.098
Base-Backbone interact. energy: -0.000
local terms energy: -73.358199
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -16.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -185.785516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.785516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.785516 (E_RNA)
where:
Base-Base interactions energy: -120.864
where: short stacking energy: -57.067
Base-Backbone interact. energy: -0.086
local terms energy: -64.836343
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -9.642
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -16.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -97.712972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.712972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.712972 (E_RNA)
where:
Base-Base interactions energy: -40.446
where: short stacking energy: -37.008
Base-Backbone interact. energy: -0.320
local terms energy: -56.946597
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -7.940
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: 6, replica: 7
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -138.088121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.088121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.088121 (E_RNA)
where:
Base-Base interactions energy: -81.326
where: short stacking energy: -38.128
Base-Backbone interact. energy: -1.089
local terms energy: -55.673265
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -5.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -133.485984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.485984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.485984 (E_RNA)
where:
Base-Base interactions energy: -72.629
where: short stacking energy: -37.699
Base-Backbone interact. energy: -0.222
local terms energy: -60.634269
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -7.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -109.882884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.882884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.882884 (E_RNA)
where:
Base-Base interactions energy: -58.004
where: short stacking energy: -30.336
Base-Backbone interact. energy: -0.105
local terms energy: -51.773323
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -11.632
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -3.670
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: 10
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -73.797024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.797024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.797024 (E_RNA)
where:
Base-Base interactions energy: -25.732
where: short stacking energy: -24.326
Base-Backbone interact. energy: -0.246
local terms energy: -47.818437
where:
bonds (distance) C4'-P energy: -10.010
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -1.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -78.729005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.729005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.729005 (E_RNA)
where:
Base-Base interactions energy: -32.963
where: short stacking energy: -22.596
Base-Backbone interact. energy: -0.052
local terms energy: -45.714087
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -10.365
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: 2.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -211.902636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.902636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.902636 (E_RNA)
where:
Base-Base interactions energy: -129.852
where: short stacking energy: -67.111
Base-Backbone interact. energy: -0.007
local terms energy: -82.044250
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -22.803
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: 8
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -199.550724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.550724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.550724 (E_RNA)
where:
Base-Base interactions energy: -128.427
where: short stacking energy: -66.690
Base-Backbone interact. energy: -0.397
local terms energy: -70.726572
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -16.875
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: 3
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -183.254656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.254656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.254656 (E_RNA)
where:
Base-Base interactions energy: -115.644
where: short stacking energy: -59.130
Base-Backbone interact. energy: -0.112
local terms energy: -67.498610
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -17.019
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: 2
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -174.326401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.326401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.326401 (E_RNA)
where:
Base-Base interactions energy: -101.556
where: short stacking energy: -62.122
Base-Backbone interact. energy: -0.076
local terms energy: -72.693646
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -15.504
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: 7
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -139.738880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.738880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.738880 (E_RNA)
where:
Base-Base interactions energy: -83.194
where: short stacking energy: -38.593
Base-Backbone interact. energy: -0.762
local terms energy: -55.782180
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -7.997
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: 6, replica: 6
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -91.607107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.607107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.607107 (E_RNA)
where:
Base-Base interactions energy: -39.679
where: short stacking energy: -39.679
Base-Backbone interact. energy: -0.122
local terms energy: -51.805987
where:
bonds (distance) C4'-P energy: -4.663
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -8.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -85.491942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.491942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.491942 (E_RNA)
where:
Base-Base interactions energy: -28.893
where: short stacking energy: -28.893
Base-Backbone interact. energy: -0.143
local terms energy: -56.455736
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -6.395
tors. eta vs tors. theta energy: -4.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -127.467817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.467817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.467817 (E_RNA)
where:
Base-Base interactions energy: -81.041
where: short stacking energy: -34.770
Base-Backbone interact. energy: -0.712
local terms energy: -45.715211
where:
bonds (distance) C4'-P energy: -5.666
bonds (distance) P-C4' energy: -14.873
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -7.025
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: 1
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -75.465527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.465527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.465527 (E_RNA)
where:
Base-Base interactions energy: -23.005
where: short stacking energy: -23.005
Base-Backbone interact. energy: -0.046
local terms energy: -52.414760
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -1.134
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: 10
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -71.208712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.208712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.208712 (E_RNA)
where:
Base-Base interactions energy: -22.000
where: short stacking energy: -19.256
Base-Backbone interact. energy: 0.178
local terms energy: -49.385868
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -0.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -203.521552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.521552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.521552 (E_RNA)
where:
Base-Base interactions energy: -126.145
where: short stacking energy: -68.436
Base-Backbone interact. energy: -0.086
local terms energy: -77.290395
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -18.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -196.210256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.210256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.210256 (E_RNA)
where:
Base-Base interactions energy: -129.014
where: short stacking energy: -66.997
Base-Backbone interact. energy: -0.022
local terms energy: -67.173939
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -5.398
tors. eta vs tors. theta energy: -17.908
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: 8
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -201.582404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.582404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.582404 (E_RNA)
where:
Base-Base interactions energy: -127.392
where: short stacking energy: -60.687
Base-Backbone interact. energy: -0.196
local terms energy: -73.994825
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -19.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -146.072588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.072588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.072588 (E_RNA)
where:
Base-Base interactions energy: -87.607
where: short stacking energy: -36.556
Base-Backbone interact. energy: -1.316
local terms energy: -57.149395
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -4.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -145.642367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.642367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.642367 (E_RNA)
where:
Base-Base interactions energy: -80.843
where: short stacking energy: -47.756
Base-Backbone interact. energy: -0.025
local terms energy: -64.774557
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -18.737
flat angles P-C4'-P energy: -9.004
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: 6, replica: 6
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -84.765579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.765579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.765579 (E_RNA)
where:
Base-Base interactions energy: -31.484
where: short stacking energy: -31.484
Base-Backbone interact. energy: -0.271
local terms energy: -53.011006
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -3.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -93.716914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.716914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.716914 (E_RNA)
where:
Base-Base interactions energy: -37.529
where: short stacking energy: -32.212
Base-Backbone interact. energy: -0.267
local terms energy: -55.920515
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -4.235
tors. eta vs tors. theta energy: -5.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -86.027688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.027688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.027688 (E_RNA)
where:
Base-Base interactions energy: -29.125
where: short stacking energy: -29.125
Base-Backbone interact. energy: -0.101
local terms energy: -56.801856
where:
bonds (distance) C4'-P energy: -9.470
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -5.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -146.988646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.988646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.988646 (E_RNA)
where:
Base-Base interactions energy: -88.396
where: short stacking energy: -44.514
Base-Backbone interact. energy: -0.268
local terms energy: -58.324372
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -5.677
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: 10
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -82.643373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.643373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.643373 (E_RNA)
where:
Base-Base interactions energy: -35.344
where: short stacking energy: -28.545
Base-Backbone interact. energy: -0.205
local terms energy: -47.094885
where:
bonds (distance) C4'-P energy: -6.534
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -4.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -213.027153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.027153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.027153 (E_RNA)
where:
Base-Base interactions energy: -140.567
where: short stacking energy: -65.719
Base-Backbone interact. energy: -0.072
local terms energy: -72.388062
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -19.489
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: 334
Temperature: 0.950000
Total energy: -198.754950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.754950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.754950 (E_RNA)
where:
Base-Base interactions energy: -124.008
where: short stacking energy: -66.485
Base-Backbone interact. energy: -0.701
local terms energy: -74.046779
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -11.986
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: 3, replica: 8
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -187.847121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.847121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.847121 (E_RNA)
where:
Base-Base interactions energy: -121.771
where: short stacking energy: -53.123
Base-Backbone interact. energy: -0.688
local terms energy: -65.388182
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -16.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -156.492273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.492273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.492273 (E_RNA)
where:
Base-Base interactions energy: -100.008
where: short stacking energy: -40.531
Base-Backbone interact. energy: -0.257
local terms energy: -56.226524
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: -6.621
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: 2
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -162.202751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.202751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.202751 (E_RNA)
where:
Base-Base interactions energy: -99.695
where: short stacking energy: -57.673
Base-Backbone interact. energy: -0.396
local terms energy: -62.111508
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -10.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -95.650525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.650525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.650525 (E_RNA)
where:
Base-Base interactions energy: -36.430
where: short stacking energy: -36.430
Base-Backbone interact. energy: 0.495
local terms energy: -59.715877
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -5.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -88.567469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.567469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.567469 (E_RNA)
where:
Base-Base interactions energy: -34.753
where: short stacking energy: -34.753
Base-Backbone interact. energy: -0.145
local terms energy: -53.668733
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -9.612
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -7.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -93.582736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.582736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.582736 (E_RNA)
where:
Base-Base interactions energy: -37.529
where: short stacking energy: -32.540
Base-Backbone interact. energy: -0.429
local terms energy: -55.624688
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -5.019
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: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -126.260257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.260257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.260257 (E_RNA)
where:
Base-Base interactions energy: -74.592
where: short stacking energy: -36.921
Base-Backbone interact. energy: -0.166
local terms energy: -51.502615
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -9.635
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -8.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -85.645607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.645607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.645607 (E_RNA)
where:
Base-Base interactions energy: -36.708
where: short stacking energy: -25.645
Base-Backbone interact. energy: 0.264
local terms energy: -49.201395
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -5.900
tors. eta vs tors. theta energy: -0.345
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: 5
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -205.226644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.226644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.226644 (E_RNA)
where:
Base-Base interactions energy: -139.958
where: short stacking energy: -57.419
Base-Backbone interact. energy: 0.792
local terms energy: -66.060267
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -14.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -193.455079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.455079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.455079 (E_RNA)
where:
Base-Base interactions energy: -115.371
where: short stacking energy: -59.409
Base-Backbone interact. energy: -0.007
local terms energy: -78.077015
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -14.463
tors. eta vs tors. theta energy: -18.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -186.118945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.118945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.118945 (E_RNA)
where:
Base-Base interactions energy: -117.731
where: short stacking energy: -61.616
Base-Backbone interact. energy: -0.052
local terms energy: -68.336012
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -17.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -172.991628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.991628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.991628 (E_RNA)
where:
Base-Base interactions energy: -113.916
where: short stacking energy: -42.778
Base-Backbone interact. energy: -0.957
local terms energy: -58.118764
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -10.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -145.792843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.792843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.792843 (E_RNA)
where:
Base-Base interactions energy: -84.130
where: short stacking energy: -48.721
Base-Backbone interact. energy: -0.370
local terms energy: -61.293136
where:
bonds (distance) C4'-P energy: -10.332
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -6.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -98.190237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.190237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.190237 (E_RNA)
where:
Base-Base interactions energy: -48.954
where: short stacking energy: -40.855
Base-Backbone interact. energy: -0.289
local terms energy: -48.947570
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -8.518
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -5.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -83.862676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.862676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.862676 (E_RNA)
where:
Base-Base interactions energy: -47.806
where: short stacking energy: -29.930
Base-Backbone interact. energy: 0.485
local terms energy: -36.541386
where:
bonds (distance) C4'-P energy: -9.303
bonds (distance) P-C4' energy: -10.778
flat angles C4'-P-C4' energy: -9.274
flat angles P-C4'-P energy: -3.959
tors. eta vs tors. theta energy: -3.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -142.171034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.171034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.171034 (E_RNA)
where:
Base-Base interactions energy: -85.758
where: short stacking energy: -34.599
Base-Backbone interact. energy: -0.243
local terms energy: -56.169769
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: -2.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -85.144459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.144459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.144459 (E_RNA)
where:
Base-Base interactions energy: -36.266
where: short stacking energy: -33.332
Base-Backbone interact. energy: -0.219
local terms energy: -48.660139
where:
bonds (distance) C4'-P energy: -13.567
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -10.879
flat angles P-C4'-P energy: -4.023
tors. eta vs tors. theta energy: -6.772
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: 335
Temperature: 1.350000
Total energy: -73.887225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.887225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.887225 (E_RNA)
where:
Base-Base interactions energy: -31.992
where: short stacking energy: -21.010
Base-Backbone interact. energy: -0.022
local terms energy: -41.873375
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -4.373
tors. eta vs tors. theta energy: -3.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -192.575173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.575173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.575173 (E_RNA)
where:
Base-Base interactions energy: -111.726
where: short stacking energy: -69.621
Base-Backbone interact. energy: -1.693
local terms energy: -79.156031
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -17.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -200.058437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.058437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.058437 (E_RNA)
where:
Base-Base interactions energy: -117.469
where: short stacking energy: -64.908
Base-Backbone interact. energy: -0.499
local terms energy: -82.090513
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -18.698
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -22.038
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: 3
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -187.398257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.398257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.398257 (E_RNA)
where:
Base-Base interactions energy: -122.274
where: short stacking energy: -69.944
Base-Backbone interact. energy: -0.076
local terms energy: -65.047832
where:
bonds (distance) C4'-P energy: -9.673
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -17.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -148.983728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.983728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.983728 (E_RNA)
where:
Base-Base interactions energy: -85.020
where: short stacking energy: -45.284
Base-Backbone interact. energy: -0.275
local terms energy: -63.688460
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -10.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -99.348223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.348223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.348223 (E_RNA)
where:
Base-Base interactions energy: -42.740
where: short stacking energy: -42.668
Base-Backbone interact. energy: -1.035
local terms energy: -55.573638
where:
bonds (distance) C4'-P energy: -9.023
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -10.341
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -10.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -163.296758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.296758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.296758 (E_RNA)
where:
Base-Base interactions energy: -98.865
where: short stacking energy: -63.514
Base-Backbone interact. energy: -0.097
local terms energy: -64.334168
where:
bonds (distance) C4'-P energy: -9.897
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -17.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -126.836892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.836892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.836892 (E_RNA)
where:
Base-Base interactions energy: -66.654
where: short stacking energy: -43.425
Base-Backbone interact. energy: -1.297
local terms energy: -58.886189
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -8.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -86.182547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.182547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.182547 (E_RNA)
where:
Base-Base interactions energy: -36.360
where: short stacking energy: -29.236
Base-Backbone interact. energy: -1.053
local terms energy: -48.768910
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: 0.504
tors. eta vs tors. theta energy: -10.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -83.490348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.490348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.490348 (E_RNA)
where:
Base-Base interactions energy: -36.822
where: short stacking energy: -26.878
Base-Backbone interact. energy: -0.236
local terms energy: -46.432236
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -9.914
flat angles P-C4'-P energy: -2.130
tors. eta vs tors. theta energy: -4.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -71.781188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.781188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.781188 (E_RNA)
where:
Base-Base interactions energy: -20.057
where: short stacking energy: -19.870
Base-Backbone interact. energy: -0.107
local terms energy: -51.616623
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: -3.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -201.074862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.074862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.074862 (E_RNA)
where:
Base-Base interactions energy: -121.091
where: short stacking energy: -65.253
Base-Backbone interact. energy: -0.328
local terms energy: -79.656066
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -20.790
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: 337
Temperature: 0.950000
Total energy: -192.067386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.067386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.067386 (E_RNA)
where:
Base-Base interactions energy: -112.839
where: short stacking energy: -69.787
Base-Backbone interact. energy: -0.800
local terms energy: -78.428523
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -19.549
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: 5
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -189.076111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.076111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.076111 (E_RNA)
where:
Base-Base interactions energy: -116.323
where: short stacking energy: -57.033
Base-Backbone interact. energy: -0.005
local terms energy: -72.748133
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -13.804
tors. eta vs tors. theta energy: -16.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -108.570956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.570956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.570956 (E_RNA)
where:
Base-Base interactions energy: -48.937
where: short stacking energy: -48.937
Base-Backbone interact. energy: -0.056
local terms energy: -59.578517
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: -8.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -159.813237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.813237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.813237 (E_RNA)
where:
Base-Base interactions energy: -96.025
where: short stacking energy: -50.909
Base-Backbone interact. energy: -0.002
local terms energy: -63.786117
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -10.720
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -15.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -151.111623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.111623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.111623 (E_RNA)
where:
Base-Base interactions energy: -81.522
where: short stacking energy: -49.411
Base-Backbone interact. energy: -0.186
local terms energy: -69.403590
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -14.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -146.960925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.960925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.960925 (E_RNA)
where:
Base-Base interactions energy: -90.813
where: short stacking energy: -55.469
Base-Backbone interact. energy: -0.480
local terms energy: -55.667838
where:
bonds (distance) C4'-P energy: -8.335
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -7.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -95.740578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.740578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.740578 (E_RNA)
where:
Base-Base interactions energy: -34.777
where: short stacking energy: -25.056
Base-Backbone interact. energy: -0.555
local terms energy: -60.408957
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -8.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -76.790240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.790240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.790240 (E_RNA)
where:
Base-Base interactions energy: -34.454
where: short stacking energy: -31.370
Base-Backbone interact. energy: -0.231
local terms energy: -42.105422
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -9.869
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -2.814
tors. eta vs tors. theta energy: -6.334
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: 4
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -64.536278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.536278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.536278 (E_RNA)
where:
Base-Base interactions energy: -17.438
where: short stacking energy: -17.438
Base-Backbone interact. energy: -0.156
local terms energy: -46.942290
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -7.430
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -1.827
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: 8
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -198.308713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.308713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.308713 (E_RNA)
where:
Base-Base interactions energy: -116.544
where: short stacking energy: -64.574
Base-Backbone interact. energy: -0.027
local terms energy: -81.737359
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -19.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -194.339077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.339077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.339077 (E_RNA)
where:
Base-Base interactions energy: -118.773
where: short stacking energy: -63.962
Base-Backbone interact. energy: -0.000
local terms energy: -75.565759
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -183.788303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.788303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.788303 (E_RNA)
where:
Base-Base interactions energy: -113.586
where: short stacking energy: -58.962
Base-Backbone interact. energy: -0.109
local terms energy: -70.093627
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -16.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -114.694491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.694491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.694491 (E_RNA)
where:
Base-Base interactions energy: -48.398
where: short stacking energy: -48.549
Base-Backbone interact. energy: -0.058
local terms energy: -66.238406
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -10.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -182.483165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.483165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.483165 (E_RNA)
where:
Base-Base interactions energy: -111.461
where: short stacking energy: -55.449
Base-Backbone interact. energy: -0.220
local terms energy: -70.801880
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -14.515
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: 6, replica: 2
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -145.495365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.495365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.495365 (E_RNA)
where:
Base-Base interactions energy: -87.947
where: short stacking energy: -41.790
Base-Backbone interact. energy: 1.330
local terms energy: -58.878032
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -6.863
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: 7, replica: 10
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -91.439090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.439090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.439090 (E_RNA)
where:
Base-Base interactions energy: -34.335
where: short stacking energy: -31.548
Base-Backbone interact. energy: -0.735
local terms energy: -56.369590
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -12.695
flat angles C4'-P-C4' energy: -11.212
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -7.983
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: 338
Temperature: 1.250000
Total energy: -141.957457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.957457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.957457 (E_RNA)
where:
Base-Base interactions energy: -84.730
where: short stacking energy: -36.918
Base-Backbone interact. energy: -0.693
local terms energy: -56.534562
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -14.288
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -0.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -79.640648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.640648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.640648 (E_RNA)
where:
Base-Base interactions energy: -25.547
where: short stacking energy: -25.547
Base-Backbone interact. energy: -0.293
local terms energy: -53.800590
where:
bonds (distance) C4'-P energy: -8.422
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -3.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -83.704880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.704880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.704880 (E_RNA)
where:
Base-Base interactions energy: -38.006
where: short stacking energy: -26.514
Base-Backbone interact. energy: -0.039
local terms energy: -45.660198
where:
bonds (distance) C4'-P energy: -8.498
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -2.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -196.967515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.967515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.967515 (E_RNA)
where:
Base-Base interactions energy: -121.550
where: short stacking energy: -62.776
Base-Backbone interact. energy: -0.009
local terms energy: -75.408209
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -14.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -188.146990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.146990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.146990 (E_RNA)
where:
Base-Base interactions energy: -116.679
where: short stacking energy: -61.982
Base-Backbone interact. energy: -0.069
local terms energy: -71.399527
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -15.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -203.566343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.566343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.566343 (E_RNA)
where:
Base-Base interactions energy: -131.974
where: short stacking energy: -62.420
Base-Backbone interact. energy: -0.147
local terms energy: -71.445526
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -12.297
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -20.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -171.485575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.485575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.485575 (E_RNA)
where:
Base-Base interactions energy: -96.570
where: short stacking energy: -53.601
Base-Backbone interact. energy: -0.768
local terms energy: -74.148333
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -16.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -116.488953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.488953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.488953 (E_RNA)
where:
Base-Base interactions energy: -64.771
where: short stacking energy: -38.679
Base-Backbone interact. energy: -0.296
local terms energy: -51.422036
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -7.707
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: 6, replica: 2
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -144.312984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.312984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.312984 (E_RNA)
where:
Base-Base interactions energy: -76.136
where: short stacking energy: -41.923
Base-Backbone interact. energy: -0.069
local terms energy: -68.107900
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -14.598
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: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -89.385266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.385266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.385266 (E_RNA)
where:
Base-Base interactions energy: -37.131
where: short stacking energy: -29.851
Base-Backbone interact. energy: 2.867
local terms energy: -55.120794
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -8.920
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -3.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -97.636976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.636976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.636976 (E_RNA)
where:
Base-Base interactions energy: -35.503
where: short stacking energy: -35.503
Base-Backbone interact. energy: -0.009
local terms energy: -62.124222
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -8.564
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: 339
Temperature: 1.300000
Total energy: -80.887631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.887631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.887631 (E_RNA)
where:
Base-Base interactions energy: -25.830
where: short stacking energy: -23.889
Base-Backbone interact. energy: -0.065
local terms energy: -54.992612
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -8.125
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: 10, replica: 6
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -74.148093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.148093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.148093 (E_RNA)
where:
Base-Base interactions energy: -24.269
where: short stacking energy: -24.269
Base-Backbone interact. energy: -0.151
local terms energy: -49.728391
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -5.299
tors. eta vs tors. theta energy: -3.714
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: 1, replica: 8
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -195.395375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.395375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.395375 (E_RNA)
where:
Base-Base interactions energy: -118.797
where: short stacking energy: -60.962
Base-Backbone interact. energy: -0.101
local terms energy: -76.497818
where:
bonds (distance) C4'-P energy: -9.209
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -21.431
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: 2, replica: 3
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -187.443232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.443232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.443232 (E_RNA)
where:
Base-Base interactions energy: -117.817
where: short stacking energy: -61.463
Base-Backbone interact. energy: -0.004
local terms energy: -69.622217
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -14.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -192.297760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.297760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.297760 (E_RNA)
where:
Base-Base interactions energy: -114.131
where: short stacking energy: -64.505
Base-Backbone interact. energy: -0.723
local terms energy: -77.443949
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -19.765
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: 4, replica: 7
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -163.901198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.901198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.901198 (E_RNA)
where:
Base-Base interactions energy: -88.876
where: short stacking energy: -45.133
Base-Backbone interact. energy: -0.154
local terms energy: -74.871347
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -18.891
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -13.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -152.418448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.418448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.418448 (E_RNA)
where:
Base-Base interactions energy: -90.425
where: short stacking energy: -44.748
Base-Backbone interact. energy: 0.302
local terms energy: -62.295302
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -10.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -128.016968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.016968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.016968 (E_RNA)
where:
Base-Base interactions energy: -67.620
where: short stacking energy: -45.106
Base-Backbone interact. energy: -0.163
local terms energy: -60.233869
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -6.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -93.830086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.830086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.830086 (E_RNA)
where:
Base-Base interactions energy: -33.269
where: short stacking energy: -32.794
Base-Backbone interact. energy: -0.088
local terms energy: -60.472633
where:
bonds (distance) C4'-P energy: -16.519
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -3.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -102.498365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.498365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.498365 (E_RNA)
where:
Base-Base interactions energy: -39.266
where: short stacking energy: -34.758
Base-Backbone interact. energy: -0.125
local terms energy: -63.107513
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -6.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -78.756559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.756559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.756559 (E_RNA)
where:
Base-Base interactions energy: -30.398
where: short stacking energy: -25.049
Base-Backbone interact. energy: -0.087
local terms energy: -48.270808
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -9.649
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -1.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -76.717073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.717073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.717073 (E_RNA)
where:
Base-Base interactions energy: -27.777
where: short stacking energy: -25.536
Base-Backbone interact. energy: 0.922
local terms energy: -49.861821
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: 2.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -188.155323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.155323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.155323 (E_RNA)
where:
Base-Base interactions energy: -115.896
where: short stacking energy: -63.408
Base-Backbone interact. energy: -0.082
local terms energy: -72.177934
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -15.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -186.969777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.969777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.969777 (E_RNA)
where:
Base-Base interactions energy: -113.687
where: short stacking energy: -61.834
Base-Backbone interact. energy: -0.003
local terms energy: -73.279635
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -17.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -190.944819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.944819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.944819 (E_RNA)
where:
Base-Base interactions energy: -115.350
where: short stacking energy: -61.982
Base-Backbone interact. energy: -0.104
local terms energy: -75.490413
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -17.747
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -15.360
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: 341
Temperature: 1.050000
Total energy: -170.740087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.740087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.740087 (E_RNA)
where:
Base-Base interactions energy: -98.655
where: short stacking energy: -56.362
Base-Backbone interact. energy: -0.159
local terms energy: -71.926710
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -16.968
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: 2
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -161.225365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.225365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.225365 (E_RNA)
where:
Base-Base interactions energy: -99.626
where: short stacking energy: -52.808
Base-Backbone interact. energy: -0.156
local terms energy: -61.443789
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -0.907
tors. eta vs tors. theta energy: -16.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -128.935544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.935544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.935544 (E_RNA)
where:
Base-Base interactions energy: -68.408
where: short stacking energy: -39.966
Base-Backbone interact. energy: 1.016
local terms energy: -61.543104
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -4.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -83.058698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.058698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.058698 (E_RNA)
where:
Base-Base interactions energy: -34.837
where: short stacking energy: -16.211
Base-Backbone interact. energy: -0.274
local terms energy: -47.948569
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: 1.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -87.000496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.000496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.000496 (E_RNA)
where:
Base-Base interactions energy: -37.430
where: short stacking energy: -30.545
Base-Backbone interact. energy: -0.063
local terms energy: -49.507015
where:
bonds (distance) C4'-P energy: -8.749
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -2.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -80.010022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.010022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.010022 (E_RNA)
where:
Base-Base interactions energy: -33.010
where: short stacking energy: -31.500
Base-Backbone interact. energy: -0.009
local terms energy: -46.991385
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -10.450
flat angles P-C4'-P energy: -7.180
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: 10, replica: 9
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -78.914265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.914265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.914265 (E_RNA)
where:
Base-Base interactions energy: -36.123
where: short stacking energy: -19.542
Base-Backbone interact. energy: -0.087
local terms energy: -42.703410
where:
bonds (distance) C4'-P energy: -9.235
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -7.948
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -1.684
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: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -196.483814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.483814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.483814 (E_RNA)
where:
Base-Base interactions energy: -115.349
where: short stacking energy: -69.982
Base-Backbone interact. energy: -0.313
local terms energy: -80.822000
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -20.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -190.722437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.722437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.722437 (E_RNA)
where:
Base-Base interactions energy: -121.713
where: short stacking energy: -67.577
Base-Backbone interact. energy: -0.099
local terms energy: -68.910388
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -19.703
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: 3
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -197.571942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.571942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.571942 (E_RNA)
where:
Base-Base interactions energy: -114.692
where: short stacking energy: -67.852
Base-Backbone interact. energy: -0.010
local terms energy: -82.870700
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -20.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -196.121822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.121822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.121822 (E_RNA)
where:
Base-Base interactions energy: -123.001
where: short stacking energy: -65.625
Base-Backbone interact. energy: -0.001
local terms energy: -73.119369
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -19.972
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: 342
Temperature: 1.100000
Total energy: -156.411011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.411011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.411011 (E_RNA)
where:
Base-Base interactions energy: -90.155
where: short stacking energy: -45.936
Base-Backbone interact. energy: -0.128
local terms energy: -66.128335
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -10.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -135.432603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.432603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.432603 (E_RNA)
where:
Base-Base interactions energy: -82.985
where: short stacking energy: -42.825
Base-Backbone interact. energy: -0.458
local terms energy: -51.989470
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -5.943
tors. eta vs tors. theta energy: -6.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -94.286384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.286384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.286384 (E_RNA)
where:
Base-Base interactions energy: -33.617
where: short stacking energy: -30.285
Base-Backbone interact. energy: -0.673
local terms energy: -59.996743
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -3.833
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: 8, replica: 4
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -83.325350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.325350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.325350 (E_RNA)
where:
Base-Base interactions energy: -38.844
where: short stacking energy: -30.949
Base-Backbone interact. energy: -0.346
local terms energy: -44.135645
where:
bonds (distance) C4'-P energy: -8.945
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -10.958
flat angles P-C4'-P energy: -5.799
tors. eta vs tors. theta energy: -4.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -85.958092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.958092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.958092 (E_RNA)
where:
Base-Base interactions energy: -38.691
where: short stacking energy: -36.651
Base-Backbone interact. energy: -0.085
local terms energy: -47.182862
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -9.089
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -3.646
tors. eta vs tors. theta energy: -6.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -73.048850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.048850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.048850 (E_RNA)
where:
Base-Base interactions energy: -31.589
where: short stacking energy: -26.908
Base-Backbone interact. energy: -0.014
local terms energy: -41.445979
where:
bonds (distance) C4'-P energy: -10.125
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -8.280
flat angles P-C4'-P energy: -8.434
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: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -200.256984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.256984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.256984 (E_RNA)
where:
Base-Base interactions energy: -124.601
where: short stacking energy: -65.545
Base-Backbone interact. energy: -0.115
local terms energy: -75.541480
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -18.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -196.490316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.490316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.490316 (E_RNA)
where:
Base-Base interactions energy: -114.389
where: short stacking energy: -68.448
Base-Backbone interact. energy: -0.011
local terms energy: -82.089939
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -21.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -187.926487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.926487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.926487 (E_RNA)
where:
Base-Base interactions energy: -115.339
where: short stacking energy: -66.742
Base-Backbone interact. energy: -0.005
local terms energy: -72.582955
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -10.552
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: 4, replica: 2
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -165.626851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.626851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.626851 (E_RNA)
where:
Base-Base interactions energy: -110.239
where: short stacking energy: -59.741
Base-Backbone interact. energy: 2.793
local terms energy: -58.180140
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -9.555
flat angles C4'-P-C4' energy: -9.990
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -12.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -174.369322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.369322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.369322 (E_RNA)
where:
Base-Base interactions energy: -107.158
where: short stacking energy: -50.604
Base-Backbone interact. energy: -0.046
local terms energy: -67.165736
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -14.386
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: 6
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -99.620160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.620160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.620160 (E_RNA)
where:
Base-Base interactions energy: -37.991
where: short stacking energy: -37.836
Base-Backbone interact. energy: -0.226
local terms energy: -61.403861
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -7.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -114.895855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.895855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.895855 (E_RNA)
where:
Base-Base interactions energy: -61.285
where: short stacking energy: -35.681
Base-Backbone interact. energy: -2.126
local terms energy: -51.484897
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -10.825
flat angles P-C4'-P energy: -11.864
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: 8, replica: 4
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -85.565803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.565803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.565803 (E_RNA)
where:
Base-Base interactions energy: -29.198
where: short stacking energy: -29.198
Base-Backbone interact. energy: -0.236
local terms energy: -56.131462
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -11.949
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: 9, replica: 10
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -84.817206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.817206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.817206 (E_RNA)
where:
Base-Base interactions energy: -32.907
where: short stacking energy: -32.907
Base-Backbone interact. energy: 1.294
local terms energy: -53.203421
where:
bonds (distance) C4'-P energy: -10.137
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -3.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -81.795425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.795425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.795425 (E_RNA)
where:
Base-Base interactions energy: -27.238
where: short stacking energy: -23.626
Base-Backbone interact. energy: -0.118
local terms energy: -54.439731
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -10.859
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -0.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -205.606867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.606867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.606867 (E_RNA)
where:
Base-Base interactions energy: -132.416
where: short stacking energy: -62.210
Base-Backbone interact. energy: -0.261
local terms energy: -72.929556
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -14.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -194.033382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.033382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.033382 (E_RNA)
where:
Base-Base interactions energy: -117.052
where: short stacking energy: -58.592
Base-Backbone interact. energy: -0.499
local terms energy: -76.482968
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -18.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -163.887825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.887825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.887825 (E_RNA)
where:
Base-Base interactions energy: -89.890
where: short stacking energy: -52.327
Base-Backbone interact. energy: -0.234
local terms energy: -73.763992
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -14.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -173.723776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.723776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.723776 (E_RNA)
where:
Base-Base interactions energy: -109.131
where: short stacking energy: -61.098
Base-Backbone interact. energy: -0.424
local terms energy: -64.168894
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -9.021
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: 5, replica: 6
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -98.410948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.410948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.410948 (E_RNA)
where:
Base-Base interactions energy: -44.822
where: short stacking energy: -32.040
Base-Backbone interact. energy: 0.476
local terms energy: -54.065401
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -4.230
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: 6, replica: 7
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -134.056945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.056945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.056945 (E_RNA)
where:
Base-Base interactions energy: -77.607
where: short stacking energy: -35.395
Base-Backbone interact. energy: -0.483
local terms energy: -55.967072
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -9.867
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -5.205
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: 1
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -98.584311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.584311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.584311 (E_RNA)
where:
Base-Base interactions energy: -48.026
where: short stacking energy: -30.124
Base-Backbone interact. energy: -0.279
local terms energy: -50.278944
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -11.194
flat angles C4'-P-C4' energy: -5.339
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -5.234
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: 4
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -86.390902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.390902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.390902 (E_RNA)
where:
Base-Base interactions energy: -46.035
where: short stacking energy: -22.722
Base-Backbone interact. energy: -0.852
local terms energy: -39.504452
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -9.607
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: 3.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -82.952325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.952325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.952325 (E_RNA)
where:
Base-Base interactions energy: -21.566
where: short stacking energy: -21.566
Base-Backbone interact. energy: -0.008
local terms energy: -61.378077
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -7.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -75.127376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.127376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.127376 (E_RNA)
where:
Base-Base interactions energy: -29.523
where: short stacking energy: -29.523
Base-Backbone interact. energy: -0.005
local terms energy: -45.598542
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -3.448
tors. eta vs tors. theta energy: -1.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -204.775243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.775243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.775243 (E_RNA)
where:
Base-Base interactions energy: -132.050
where: short stacking energy: -66.761
Base-Backbone interact. energy: -0.202
local terms energy: -72.523519
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -16.213
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: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -177.605085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.605085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.605085 (E_RNA)
where:
Base-Base interactions energy: -112.841
where: short stacking energy: -48.496
Base-Backbone interact. energy: -0.080
local terms energy: -64.684101
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -13.136
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -8.286
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: 5
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -176.670787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.670787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.670787 (E_RNA)
where:
Base-Base interactions energy: -112.715
where: short stacking energy: -59.989
Base-Backbone interact. energy: -0.102
local terms energy: -63.852856
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -15.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -177.110008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.110008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.110008 (E_RNA)
where:
Base-Base interactions energy: -105.037
where: short stacking energy: -49.078
Base-Backbone interact. energy: -0.030
local terms energy: -72.043701
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -17.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -99.051376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.051376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.051376 (E_RNA)
where:
Base-Base interactions energy: -35.956
where: short stacking energy: -35.956
Base-Backbone interact. energy: -0.864
local terms energy: -62.231187
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -7.778
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: 7
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -146.644123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.644123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.644123 (E_RNA)
where:
Base-Base interactions energy: -90.769
where: short stacking energy: -53.565
Base-Backbone interact. energy: -0.018
local terms energy: -55.857770
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -10.774
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -11.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -111.145946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.145946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.145946 (E_RNA)
where:
Base-Base interactions energy: -60.697
where: short stacking energy: -44.614
Base-Backbone interact. energy: -0.037
local terms energy: -50.411383
where:
bonds (distance) C4'-P energy: -8.704
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -9.664
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -7.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -82.869892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.869892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.869892 (E_RNA)
where:
Base-Base interactions energy: -32.328
where: short stacking energy: -32.328
Base-Backbone interact. energy: -0.001
local terms energy: -50.540831
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -8.715
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -1.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -81.529906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.529906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.529906 (E_RNA)
where:
Base-Base interactions energy: -29.289
where: short stacking energy: -29.289
Base-Backbone interact. energy: -0.173
local terms energy: -52.068110
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -1.183
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: 10, replica: 10
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -78.532826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.532826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.532826 (E_RNA)
where:
Base-Base interactions energy: -27.699
where: short stacking energy: -27.200
Base-Backbone interact. energy: -0.117
local terms energy: -50.717172
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -1.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -212.973680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.973680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.973680 (E_RNA)
where:
Base-Base interactions energy: -138.816
where: short stacking energy: -67.979
Base-Backbone interact. energy: -0.623
local terms energy: -73.534339
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -10.457
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: 2, replica: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -181.124207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.124207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.124207 (E_RNA)
where:
Base-Base interactions energy: -107.658
where: short stacking energy: -63.644
Base-Backbone interact. energy: 0.757
local terms energy: -74.222502
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -17.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -181.185524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.185524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.185524 (E_RNA)
where:
Base-Base interactions energy: -109.414
where: short stacking energy: -65.932
Base-Backbone interact. energy: -1.499
local terms energy: -70.272857
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -10.800
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -19.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -168.689466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.689466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.689466 (E_RNA)
where:
Base-Base interactions energy: -101.013
where: short stacking energy: -53.162
Base-Backbone interact. energy: -0.432
local terms energy: -67.244534
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -11.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -179.020770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.020770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.020770 (E_RNA)
where:
Base-Base interactions energy: -104.844
where: short stacking energy: -58.359
Base-Backbone interact. energy: -0.001
local terms energy: -74.175738
where:
bonds (distance) C4'-P energy: -18.092
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -15.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -99.394070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.394070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.394070 (E_RNA)
where:
Base-Base interactions energy: -43.977
where: short stacking energy: -41.959
Base-Backbone interact. energy: -0.048
local terms energy: -55.368956
where:
bonds (distance) C4'-P energy: -10.825
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -7.808
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -13.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -82.307276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.307276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.307276 (E_RNA)
where:
Base-Base interactions energy: -33.417
where: short stacking energy: -26.146
Base-Backbone interact. energy: -0.202
local terms energy: -48.688245
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -12.776
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -2.448
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: 8, replica: 9
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -93.226214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.226214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.226214 (E_RNA)
where:
Base-Base interactions energy: -47.722
where: short stacking energy: -27.040
Base-Backbone interact. energy: 1.266
local terms energy: -46.770200
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -4.852
tors. eta vs tors. theta energy: 1.270
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: 10
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -84.813200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.813200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.813200 (E_RNA)
where:
Base-Base interactions energy: -31.223
where: short stacking energy: -31.223
Base-Backbone interact. energy: -0.535
local terms energy: -53.055341
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -11.261
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -4.241
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: 4
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -76.424727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.424727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.424727 (E_RNA)
where:
Base-Base interactions energy: -25.887
where: short stacking energy: -23.429
Base-Backbone interact. energy: 0.675
local terms energy: -51.213287
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -2.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -215.533471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.533471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.533471 (E_RNA)
where:
Base-Base interactions energy: -138.166
where: short stacking energy: -65.184
Base-Backbone interact. energy: -0.985
local terms energy: -76.383229
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -18.246
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: 8
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -182.113991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.113991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.113991 (E_RNA)
where:
Base-Base interactions energy: -117.648
where: short stacking energy: -67.291
Base-Backbone interact. energy: -0.338
local terms energy: -64.127589
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -1.738
tors. eta vs tors. theta energy: -17.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -180.454281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.454281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.454281 (E_RNA)
where:
Base-Base interactions energy: -111.789
where: short stacking energy: -62.007
Base-Backbone interact. energy: -0.324
local terms energy: -68.341641
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -18.814
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: 4, replica: 7
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -186.290149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.290149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.290149 (E_RNA)
where:
Base-Base interactions energy: -117.277
where: short stacking energy: -62.141
Base-Backbone interact. energy: -0.026
local terms energy: -68.987071
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -16.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -177.862484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.862484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.862484 (E_RNA)
where:
Base-Base interactions energy: -111.100
where: short stacking energy: -57.430
Base-Backbone interact. energy: -1.133
local terms energy: -65.628738
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -17.734
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: 1
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -97.449018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.449018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.449018 (E_RNA)
where:
Base-Base interactions energy: -51.504
where: short stacking energy: -24.197
Base-Backbone interact. energy: -0.911
local terms energy: -45.034687
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -6.028
tors. eta vs tors. theta energy: 1.378
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: 6
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -91.463182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.463182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.463182 (E_RNA)
where:
Base-Base interactions energy: -37.817
where: short stacking energy: -36.037
Base-Backbone interact. energy: -0.270
local terms energy: -53.375788
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -10.175
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -85.413240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.413240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.413240 (E_RNA)
where:
Base-Base interactions energy: -38.594
where: short stacking energy: -30.288
Base-Backbone interact. energy: -0.273
local terms energy: -46.546765
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -1.333
tors. eta vs tors. theta energy: -1.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -87.128144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.128144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.128144 (E_RNA)
where:
Base-Base interactions energy: -33.569
where: short stacking energy: -21.696
Base-Backbone interact. energy: -1.184
local terms energy: -52.375515
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -3.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -68.584749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.584749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.584749 (E_RNA)
where:
Base-Base interactions energy: -22.553
where: short stacking energy: -20.536
Base-Backbone interact. energy: -0.251
local terms energy: -45.781372
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -7.949
flat angles P-C4'-P energy: -7.771
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: 3
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -212.483349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.483349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.483349 (E_RNA)
where:
Base-Base interactions energy: -136.057
where: short stacking energy: -67.903
Base-Backbone interact. energy: -0.108
local terms energy: -76.317836
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -15.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -188.851833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.851833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.851833 (E_RNA)
where:
Base-Base interactions energy: -123.134
where: short stacking energy: -66.206
Base-Backbone interact. energy: -0.566
local terms energy: -65.152295
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -6.750
tors. eta vs tors. theta energy: -17.108
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: 3, replica: 7
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -182.587030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.587030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.587030 (E_RNA)
where:
Base-Base interactions energy: -116.853
where: short stacking energy: -51.858
Base-Backbone interact. energy: -0.958
local terms energy: -64.775479
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -9.456
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -15.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -162.916511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.916511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.916511 (E_RNA)
where:
Base-Base interactions energy: -107.056
where: short stacking energy: -51.078
Base-Backbone interact. energy: -0.148
local terms energy: -55.712141
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -10.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -146.748325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.748325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.748325 (E_RNA)
where:
Base-Base interactions energy: -90.721
where: short stacking energy: -46.984
Base-Backbone interact. energy: -0.157
local terms energy: -55.870379
where:
bonds (distance) C4'-P energy: -9.614
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -10.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -92.226379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.226379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.226379 (E_RNA)
where:
Base-Base interactions energy: -36.718
where: short stacking energy: -34.047
Base-Backbone interact. energy: 0.004
local terms energy: -55.511830
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -6.829
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: 7, replica: 10
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -85.904774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.904774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.904774 (E_RNA)
where:
Base-Base interactions energy: -31.287
where: short stacking energy: -26.309
Base-Backbone interact. energy: 0.408
local terms energy: -55.026434
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -3.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -95.612798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.612798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.612798 (E_RNA)
where:
Base-Base interactions energy: -47.241
where: short stacking energy: -31.104
Base-Backbone interact. energy: 1.147
local terms energy: -49.518757
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -4.536
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -9.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -79.041428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.041428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.041428 (E_RNA)
where:
Base-Base interactions energy: -32.479
where: short stacking energy: -22.914
Base-Backbone interact. energy: -0.737
local terms energy: -45.825112
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -5.468
tors. eta vs tors. theta energy: 0.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -70.196971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.196971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.196971 (E_RNA)
where:
Base-Base interactions energy: -33.003
where: short stacking energy: -31.639
Base-Backbone interact. energy: 4.274
local terms energy: -41.468445
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -7.404
flat angles P-C4'-P energy: -1.245
tors. eta vs tors. theta energy: -7.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -201.474471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.474471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.474471 (E_RNA)
where:
Base-Base interactions energy: -126.330
where: short stacking energy: -69.513
Base-Backbone interact. energy: -0.010
local terms energy: -75.134744
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -21.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -208.903791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.903791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.903791 (E_RNA)
where:
Base-Base interactions energy: -128.778
where: short stacking energy: -69.677
Base-Backbone interact. energy: -0.199
local terms energy: -79.927343
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -14.759
tors. eta vs tors. theta energy: -21.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -176.760864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.760864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.760864 (E_RNA)
where:
Base-Base interactions energy: -108.004
where: short stacking energy: -64.537
Base-Backbone interact. energy: -0.103
local terms energy: -68.652987
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -15.308
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: 5
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -166.430277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.430277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.430277 (E_RNA)
where:
Base-Base interactions energy: -103.288
where: short stacking energy: -49.066
Base-Backbone interact. energy: -0.288
local terms energy: -62.853933
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -3.936
tors. eta vs tors. theta energy: -13.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -182.020310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.020310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.020310 (E_RNA)
where:
Base-Base interactions energy: -108.836
where: short stacking energy: -60.949
Base-Backbone interact. energy: -0.418
local terms energy: -72.766241
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -18.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -95.077284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.077284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.077284 (E_RNA)
where:
Base-Base interactions energy: -31.641
where: short stacking energy: -31.641
Base-Backbone interact. energy: -0.271
local terms energy: -63.164570
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -17.429
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -6.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -97.768920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.768920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.768920 (E_RNA)
where:
Base-Base interactions energy: -45.216
where: short stacking energy: -41.531
Base-Backbone interact. energy: -0.191
local terms energy: -52.361619
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -11.100
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -5.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -101.858359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.858359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.858359 (E_RNA)
where:
Base-Base interactions energy: -41.186
where: short stacking energy: -39.411
Base-Backbone interact. energy: -0.124
local terms energy: -60.548123
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -11.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -88.383635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.383635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.383635 (E_RNA)
where:
Base-Base interactions energy: -41.956
where: short stacking energy: -38.131
Base-Backbone interact. energy: -0.224
local terms energy: -46.204199
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -9.830
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: -7.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -78.239429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.239429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.239429 (E_RNA)
where:
Base-Base interactions energy: -25.135
where: short stacking energy: -23.527
Base-Backbone interact. energy: -1.002
local terms energy: -52.101600
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -10.423
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: -5.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -215.687903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.687903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.687903 (E_RNA)
where:
Base-Base interactions energy: -134.927
where: short stacking energy: -75.350
Base-Backbone interact. energy: -0.026
local terms energy: -80.734137
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -21.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -207.201778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.201778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.201778 (E_RNA)
where:
Base-Base interactions energy: -128.768
where: short stacking energy: -66.212
Base-Backbone interact. energy: -0.758
local terms energy: -77.675709
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -18.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -163.821769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.821769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.821769 (E_RNA)
where:
Base-Base interactions energy: -99.898
where: short stacking energy: -55.969
Base-Backbone interact. energy: -0.256
local terms energy: -63.668059
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -11.135
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -13.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -161.260799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.260799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.260799 (E_RNA)
where:
Base-Base interactions energy: -96.648
where: short stacking energy: -52.207
Base-Backbone interact. energy: -0.505
local terms energy: -64.107646
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: -13.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -174.290796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.290796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.290796 (E_RNA)
where:
Base-Base interactions energy: -108.566
where: short stacking energy: -60.158
Base-Backbone interact. energy: -0.187
local terms energy: -65.538113
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -9.891
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -15.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -85.880837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.880837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.880837 (E_RNA)
where:
Base-Base interactions energy: -33.839
where: short stacking energy: -27.482
Base-Backbone interact. energy: -0.272
local terms energy: -51.769711
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -1.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -89.544415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.544415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.544415 (E_RNA)
where:
Base-Base interactions energy: -42.832
where: short stacking energy: -30.574
Base-Backbone interact. energy: 0.356
local terms energy: -47.068436
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -8.699
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -0.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -92.079682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.079682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.079682 (E_RNA)
where:
Base-Base interactions energy: -39.589
where: short stacking energy: -39.111
Base-Backbone interact. energy: -0.178
local terms energy: -52.312422
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -3.496
tors. eta vs tors. theta energy: -5.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -75.998851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.998851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.998851 (E_RNA)
where:
Base-Base interactions energy: -23.170
where: short stacking energy: -19.136
Base-Backbone interact. energy: -0.266
local terms energy: -52.563001
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -11.524
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -0.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -91.682554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.682554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.682554 (E_RNA)
where:
Base-Base interactions energy: -41.974
where: short stacking energy: -21.535
Base-Backbone interact. energy: -0.242
local terms energy: -49.466926
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -5.307
tors. eta vs tors. theta energy: -0.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -210.107680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.107680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.107680 (E_RNA)
where:
Base-Base interactions energy: -130.152
where: short stacking energy: -71.071
Base-Backbone interact. energy: -0.008
local terms energy: -79.947861
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -19.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -177.339405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.339405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.339405 (E_RNA)
where:
Base-Base interactions energy: -108.421
where: short stacking energy: -60.704
Base-Backbone interact. energy: -0.445
local terms energy: -68.472889
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -16.705
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: 3, replica: 8
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -177.693445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.693445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.693445 (E_RNA)
where:
Base-Base interactions energy: -104.960
where: short stacking energy: -54.774
Base-Backbone interact. energy: -0.120
local terms energy: -72.613820
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -14.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -175.201643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.201643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.201643 (E_RNA)
where:
Base-Base interactions energy: -101.653
where: short stacking energy: -58.352
Base-Backbone interact. energy: -0.001
local terms energy: -73.548137
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -15.901
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -16.630
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: 7
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -151.368963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.368963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.368963 (E_RNA)
where:
Base-Base interactions energy: -86.959
where: short stacking energy: -56.856
Base-Backbone interact. energy: -0.025
local terms energy: -64.384700
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: -14.275
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: 4
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -95.600846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.600846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.600846 (E_RNA)
where:
Base-Base interactions energy: -43.019
where: short stacking energy: -39.134
Base-Backbone interact. energy: 3.535
local terms energy: -56.116919
where:
bonds (distance) C4'-P energy: -10.413
bonds (distance) P-C4' energy: -18.466
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -5.538
tors. eta vs tors. theta energy: -8.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -92.796811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.796811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.796811 (E_RNA)
where:
Base-Base interactions energy: -34.631
where: short stacking energy: -34.831
Base-Backbone interact. energy: -0.096
local terms energy: -58.069324
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -10.338
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -10.115
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: 9
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -84.471262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.471262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.471262 (E_RNA)
where:
Base-Base interactions energy: -26.892
where: short stacking energy: -26.418
Base-Backbone interact. energy: -0.042
local terms energy: -57.537067
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -4.554
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: 10
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -89.283164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.283164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.283164 (E_RNA)
where:
Base-Base interactions energy: -33.231
where: short stacking energy: -30.889
Base-Backbone interact. energy: -0.626
local terms energy: -55.425803
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -12.515
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -13.811
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: 6
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -75.506223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.506223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.506223 (E_RNA)
where:
Base-Base interactions energy: -29.109
where: short stacking energy: -29.109
Base-Backbone interact. energy: -0.208
local terms energy: -46.188734
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -10.148
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -0.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -202.572190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.572190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.572190 (E_RNA)
where:
Base-Base interactions energy: -126.677
where: short stacking energy: -70.623
Base-Backbone interact. energy: -0.087
local terms energy: -75.807683
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -20.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -186.217874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.217874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.217874 (E_RNA)
where:
Base-Base interactions energy: -117.288
where: short stacking energy: -61.811
Base-Backbone interact. energy: -0.141
local terms energy: -68.788764
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -16.449
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: 8
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -178.318243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.318243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.318243 (E_RNA)
where:
Base-Base interactions energy: -107.973
where: short stacking energy: -60.490
Base-Backbone interact. energy: -0.277
local terms energy: -70.067981
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -10.238
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: 4, replica: 2
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -174.988489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.988489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.988489 (E_RNA)
where:
Base-Base interactions energy: -102.986
where: short stacking energy: -59.099
Base-Backbone interact. energy: 0.248
local terms energy: -72.251228
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -14.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -154.936735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.936735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.936735 (E_RNA)
where:
Base-Base interactions energy: -89.139
where: short stacking energy: -44.845
Base-Backbone interact. energy: -0.109
local terms energy: -65.688478
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -10.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -107.550069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.550069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.550069 (E_RNA)
where:
Base-Base interactions energy: -49.830
where: short stacking energy: -32.249
Base-Backbone interact. energy: -0.309
local terms energy: -57.411605
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -3.355
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: 7, replica: 9
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -89.005655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.005655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.005655 (E_RNA)
where:
Base-Base interactions energy: -41.231
where: short stacking energy: -30.660
Base-Backbone interact. energy: -0.240
local terms energy: -47.534914
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: -4.103
tors. eta vs tors. theta energy: -4.765
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: 1
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -91.263578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.263578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.263578 (E_RNA)
where:
Base-Base interactions energy: -38.956
where: short stacking energy: -38.956
Base-Backbone interact. energy: -0.098
local terms energy: -52.209796
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -4.530
tors. eta vs tors. theta energy: -5.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -81.804224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.804224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.804224 (E_RNA)
where:
Base-Base interactions energy: -24.346
where: short stacking energy: -18.576
Base-Backbone interact. energy: -0.273
local terms energy: -57.185704
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -9.007
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: 352
Temperature: 1.350000
Total energy: -78.778948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.778948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.778948 (E_RNA)
where:
Base-Base interactions energy: -22.975
where: short stacking energy: -20.845
Base-Backbone interact. energy: -0.079
local terms energy: -55.724945
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -15.503
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -4.817
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: 1, replica: 3
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -213.669509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.669509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.669509 (E_RNA)
where:
Base-Base interactions energy: -133.881
where: short stacking energy: -63.509
Base-Backbone interact. energy: 0.667
local terms energy: -80.455344
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -22.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -185.831391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.831391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.831391 (E_RNA)
where:
Base-Base interactions energy: -111.906
where: short stacking energy: -62.536
Base-Backbone interact. energy: -0.205
local terms energy: -73.719556
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -17.965
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: 353
Temperature: 1.000000
Total energy: -169.269977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.269977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.269977 (E_RNA)
where:
Base-Base interactions energy: -99.244
where: short stacking energy: -54.933
Base-Backbone interact. energy: -0.122
local terms energy: -69.904076
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -14.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -145.948509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.948509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.948509 (E_RNA)
where:
Base-Base interactions energy: -77.523
where: short stacking energy: -43.039
Base-Backbone interact. energy: -0.212
local terms energy: -68.214350
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -9.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -152.869121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.869121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.869121 (E_RNA)
where:
Base-Base interactions energy: -91.523
where: short stacking energy: -44.731
Base-Backbone interact. energy: -0.771
local terms energy: -60.574950
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -5.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -95.802765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.802765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.802765 (E_RNA)
where:
Base-Base interactions energy: -38.175
where: short stacking energy: -38.175
Base-Backbone interact. energy: -0.010
local terms energy: -57.617230
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -18.352
flat angles C4'-P-C4' energy: -10.206
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -4.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -83.186202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.186202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.186202 (E_RNA)
where:
Base-Base interactions energy: -38.780
where: short stacking energy: -19.316
Base-Backbone interact. energy: 0.108
local terms energy: -44.514746
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -9.346
flat angles C4'-P-C4' energy: -10.302
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -0.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -89.334718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.334718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.334718 (E_RNA)
where:
Base-Base interactions energy: -39.346
where: short stacking energy: -19.684
Base-Backbone interact. energy: -0.169
local terms energy: -49.819734
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -7.595
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: 9, replica: 1
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -76.374114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.374114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.374114 (E_RNA)
where:
Base-Base interactions energy: -34.148
where: short stacking energy: -34.148
Base-Backbone interact. energy: -0.211
local terms energy: -42.015474
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -9.950
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -3.283
tors. eta vs tors. theta energy: -3.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -71.483090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.483090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.483090 (E_RNA)
where:
Base-Base interactions energy: -23.510
where: short stacking energy: -20.661
Base-Backbone interact. energy: 0.630
local terms energy: -48.603064
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -0.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -199.125566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.125566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.125566 (E_RNA)
where:
Base-Base interactions energy: -124.898
where: short stacking energy: -66.974
Base-Backbone interact. energy: -0.593
local terms energy: -73.634544
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -16.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -195.668566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.668566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.668566 (E_RNA)
where:
Base-Base interactions energy: -121.165
where: short stacking energy: -68.295
Base-Backbone interact. energy: -0.204
local terms energy: -74.300164
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -19.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -173.708081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.708081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.708081 (E_RNA)
where:
Base-Base interactions energy: -108.474
where: short stacking energy: -60.456
Base-Backbone interact. energy: -0.013
local terms energy: -65.220879
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -6.495
tors. eta vs tors. theta energy: -13.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -167.895439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.895439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.895439 (E_RNA)
where:
Base-Base interactions energy: -91.681
where: short stacking energy: -50.404
Base-Backbone interact. energy: -0.016
local terms energy: -76.198010
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -14.095
tors. eta vs tors. theta energy: -12.526
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: 5, replica: 2
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -161.388536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.388536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.388536 (E_RNA)
where:
Base-Base interactions energy: -103.601
where: short stacking energy: -49.399
Base-Backbone interact. energy: -0.286
local terms energy: -57.501857
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -9.259
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -6.516
tors. eta vs tors. theta energy: -9.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -95.279897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.279897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.279897 (E_RNA)
where:
Base-Base interactions energy: -35.528
where: short stacking energy: -32.927
Base-Backbone interact. energy: -0.316
local terms energy: -59.435816
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -7.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -98.215472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.215472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.215472 (E_RNA)
where:
Base-Base interactions energy: -47.041
where: short stacking energy: -31.096
Base-Backbone interact. energy: -1.120
local terms energy: -50.054721
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: 2.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -89.813035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.813035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.813035 (E_RNA)
where:
Base-Base interactions energy: -45.219
where: short stacking energy: -32.888
Base-Backbone interact. energy: -0.872
local terms energy: -43.722095
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -5.958
tors. eta vs tors. theta energy: 1.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -74.532625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.532625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.532625 (E_RNA)
where:
Base-Base interactions energy: -24.713
where: short stacking energy: -23.483
Base-Backbone interact. energy: 0.495
local terms energy: -50.314077
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -4.311
tors. eta vs tors. theta energy: -3.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -72.350222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.350222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.350222 (E_RNA)
where:
Base-Base interactions energy: -20.446
where: short stacking energy: -20.446
Base-Backbone interact. energy: -0.098
local terms energy: -51.805757
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -5.547
tors. eta vs tors. theta energy: -3.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -190.986691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.986691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.986691 (E_RNA)
where:
Base-Base interactions energy: -117.420
where: short stacking energy: -64.926
Base-Backbone interact. energy: -0.311
local terms energy: -73.255726
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -13.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -165.860561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.860561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.860561 (E_RNA)
where:
Base-Base interactions energy: -99.166
where: short stacking energy: -55.603
Base-Backbone interact. energy: -0.225
local terms energy: -66.469686
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -12.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -198.082537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.082537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.082537 (E_RNA)
where:
Base-Base interactions energy: -120.225
where: short stacking energy: -72.378
Base-Backbone interact. energy: -0.413
local terms energy: -77.445125
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -13.999
tors. eta vs tors. theta energy: -20.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -170.576167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.576167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.576167 (E_RNA)
where:
Base-Base interactions energy: -98.459
where: short stacking energy: -51.163
Base-Backbone interact. energy: -0.532
local terms energy: -71.585868
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -10.706
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -15.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -164.572475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.572475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.572475 (E_RNA)
where:
Base-Base interactions energy: -100.137
where: short stacking energy: -43.027
Base-Backbone interact. energy: 0.731
local terms energy: -65.166364
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -11.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -97.097663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.097663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.097663 (E_RNA)
where:
Base-Base interactions energy: -36.703
where: short stacking energy: -36.703
Base-Backbone interact. energy: -0.002
local terms energy: -60.393141
where:
bonds (distance) C4'-P energy: -17.253
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -10.732
flat angles P-C4'-P energy: -4.659
tors. eta vs tors. theta energy: -10.409
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: 6
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -98.160056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.160056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.160056 (E_RNA)
where:
Base-Base interactions energy: -48.966
where: short stacking energy: -28.821
Base-Backbone interact. energy: -0.342
local terms energy: -48.851824
where:
bonds (distance) C4'-P energy: -9.227
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: -5.454
tors. eta vs tors. theta energy: -7.821
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: 1
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -90.006754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.006754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.006754 (E_RNA)
where:
Base-Base interactions energy: -35.599
where: short stacking energy: -35.599
Base-Backbone interact. energy: -0.069
local terms energy: -54.338494
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -6.572
tors. eta vs tors. theta energy: -4.756
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: 4
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -88.155406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.155406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.155406 (E_RNA)
where:
Base-Base interactions energy: -39.125
where: short stacking energy: -21.565
Base-Backbone interact. energy: -0.319
local terms energy: -48.711250
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -10.400
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -2.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -76.372644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.372644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.372644 (E_RNA)
where:
Base-Base interactions energy: -27.751
where: short stacking energy: -23.318
Base-Backbone interact. energy: -0.383
local terms energy: -48.238894
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -9.017
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -10.870
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: 1, replica: 5
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -193.671017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.671017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.671017 (E_RNA)
where:
Base-Base interactions energy: -122.230
where: short stacking energy: -70.576
Base-Backbone interact. energy: -0.131
local terms energy: -71.310157
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -19.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -205.855126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.855126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.855126 (E_RNA)
where:
Base-Base interactions energy: -126.899
where: short stacking energy: -70.706
Base-Backbone interact. energy: -0.002
local terms energy: -78.954598
where:
bonds (distance) C4'-P energy: -17.820
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -17.988
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: 3, replica: 8
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -184.353593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.353593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.353593 (E_RNA)
where:
Base-Base interactions energy: -112.185
where: short stacking energy: -55.837
Base-Backbone interact. energy: -0.039
local terms energy: -72.129211
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -14.264
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: 2
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -160.796241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.796241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.796241 (E_RNA)
where:
Base-Base interactions energy: -94.986
where: short stacking energy: -49.484
Base-Backbone interact. energy: -0.100
local terms energy: -65.709769
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -12.473
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -11.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -156.287150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.287150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.287150 (E_RNA)
where:
Base-Base interactions energy: -94.208
where: short stacking energy: -44.514
Base-Backbone interact. energy: 0.818
local terms energy: -62.896930
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -9.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -88.223874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.223874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.223874 (E_RNA)
where:
Base-Base interactions energy: -32.814
where: short stacking energy: -30.840
Base-Backbone interact. energy: -0.057
local terms energy: -55.352958
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -4.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -89.611111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.611111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.611111 (E_RNA)
where:
Base-Base interactions energy: -35.070
where: short stacking energy: -35.070
Base-Backbone interact. energy: 1.562
local terms energy: -56.103400
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: -7.079
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: 1
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -85.942100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.942100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.942100 (E_RNA)
where:
Base-Base interactions energy: -31.864
where: short stacking energy: -31.864
Base-Backbone interact. energy: -0.114
local terms energy: -53.964622
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -12.671
flat angles C4'-P-C4' energy: -9.013
flat angles P-C4'-P energy: -6.149
tors. eta vs tors. theta energy: -9.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -82.011428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.011428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.011428 (E_RNA)
where:
Base-Base interactions energy: -29.228
where: short stacking energy: -25.858
Base-Backbone interact. energy: 1.202
local terms energy: -53.985312
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -4.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -89.771284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.771284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.771284 (E_RNA)
where:
Base-Base interactions energy: -34.644
where: short stacking energy: -34.644
Base-Backbone interact. energy: -0.115
local terms energy: -55.011617
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -4.196
tors. eta vs tors. theta energy: -5.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -202.821478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.821478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.821478 (E_RNA)
where:
Base-Base interactions energy: -128.312
where: short stacking energy: -63.601
Base-Backbone interact. energy: -0.000
local terms energy: -74.508810
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -19.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -193.277785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.277785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.277785 (E_RNA)
where:
Base-Base interactions energy: -116.347
where: short stacking energy: -62.693
Base-Backbone interact. energy: -0.652
local terms energy: -76.278980
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -17.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -194.882939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.882939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.882939 (E_RNA)
where:
Base-Base interactions energy: -120.352
where: short stacking energy: -55.392
Base-Backbone interact. energy: -0.126
local terms energy: -74.404760
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: -16.349
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: 7
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -139.325405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.325405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.325405 (E_RNA)
where:
Base-Base interactions energy: -76.833
where: short stacking energy: -41.785
Base-Backbone interact. energy: -0.027
local terms energy: -62.466139
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -10.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -165.331516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.331516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.331516 (E_RNA)
where:
Base-Base interactions energy: -98.960
where: short stacking energy: -50.826
Base-Backbone interact. energy: -0.006
local terms energy: -66.366093
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: -13.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -104.228768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.228768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.228768 (E_RNA)
where:
Base-Base interactions energy: -48.354
where: short stacking energy: -32.896
Base-Backbone interact. energy: -0.139
local terms energy: -55.735488
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -9.877
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -6.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -85.725937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.725937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.725937 (E_RNA)
where:
Base-Base interactions energy: -30.340
where: short stacking energy: -22.621
Base-Backbone interact. energy: -0.290
local terms energy: -55.096025
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -3.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -82.378662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.378662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.378662 (E_RNA)
where:
Base-Base interactions energy: -31.740
where: short stacking energy: -30.393
Base-Backbone interact. energy: 0.057
local terms energy: -50.695035
where:
bonds (distance) C4'-P energy: -8.989
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -10.376
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -6.195
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: 1
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -77.816099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.816099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.816099 (E_RNA)
where:
Base-Base interactions energy: -30.613
where: short stacking energy: -14.660
Base-Backbone interact. energy: -0.289
local terms energy: -46.914060
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -0.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -76.277613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.277613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.277613 (E_RNA)
where:
Base-Base interactions energy: -29.076
where: short stacking energy: -25.194
Base-Backbone interact. energy: -0.086
local terms energy: -47.114887
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -9.894
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -1.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -212.679420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.679420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.679420 (E_RNA)
where:
Base-Base interactions energy: -135.486
where: short stacking energy: -64.520
Base-Backbone interact. energy: -0.014
local terms energy: -77.179587
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -18.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -202.233841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.233841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.233841 (E_RNA)
where:
Base-Base interactions energy: -128.456
where: short stacking energy: -70.215
Base-Backbone interact. energy: -0.016
local terms energy: -73.762335
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -19.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -177.849901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.849901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.849901 (E_RNA)
where:
Base-Base interactions energy: -112.802
where: short stacking energy: -57.361
Base-Backbone interact. energy: -1.263
local terms energy: -63.784161
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -10.808
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: 7
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -165.825897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.825897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.825897 (E_RNA)
where:
Base-Base interactions energy: -95.049
where: short stacking energy: -53.844
Base-Backbone interact. energy: -0.082
local terms energy: -70.694521
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -11.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -155.730195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.730195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.730195 (E_RNA)
where:
Base-Base interactions energy: -93.952
where: short stacking energy: -50.934
Base-Backbone interact. energy: -0.003
local terms energy: -61.775240
where:
bonds (distance) C4'-P energy: -9.422
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -11.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -87.843253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.843253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.843253 (E_RNA)
where:
Base-Base interactions energy: -31.179
where: short stacking energy: -31.109
Base-Backbone interact. energy: 0.820
local terms energy: -57.484320
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -5.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -95.141671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.141671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.141671 (E_RNA)
where:
Base-Base interactions energy: -35.470
where: short stacking energy: -25.300
Base-Backbone interact. energy: -0.051
local terms energy: -59.620887
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -9.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -90.973655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.973655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.973655 (E_RNA)
where:
Base-Base interactions energy: -32.953
where: short stacking energy: -26.434
Base-Backbone interact. energy: 0.330
local terms energy: -58.351062
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -3.461
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: 4
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -79.088092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.088092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.088092 (E_RNA)
where:
Base-Base interactions energy: -29.446
where: short stacking energy: -29.446
Base-Backbone interact. energy: -0.141
local terms energy: -49.501145
where:
bonds (distance) C4'-P energy: -10.384
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -5.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -70.572394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.572394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.572394 (E_RNA)
where:
Base-Base interactions energy: -22.688
where: short stacking energy: -14.865
Base-Backbone interact. energy: -0.071
local terms energy: -47.814255
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -7.644
flat angles P-C4'-P energy: -9.016
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: 1, replica: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -209.661440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.661440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.661440 (E_RNA)
where:
Base-Base interactions energy: -126.056
where: short stacking energy: -67.730
Base-Backbone interact. energy: -1.042
local terms energy: -82.563759
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -20.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -208.192796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.192796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.192796 (E_RNA)
where:
Base-Base interactions energy: -130.866
where: short stacking energy: -70.900
Base-Backbone interact. energy: -0.240
local terms energy: -77.086946
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -21.877
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: 3
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -162.325454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.325454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.325454 (E_RNA)
where:
Base-Base interactions energy: -97.274
where: short stacking energy: -56.244
Base-Backbone interact. energy: -0.163
local terms energy: -64.888333
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -11.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -170.671785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.671785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.671785 (E_RNA)
where:
Base-Base interactions energy: -101.094
where: short stacking energy: -55.721
Base-Backbone interact. energy: -0.003
local terms energy: -69.575352
where:
bonds (distance) C4'-P energy: -9.963
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -17.633
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: 5, replica: 7
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -148.830818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.830818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.830818 (E_RNA)
where:
Base-Base interactions energy: -92.909
where: short stacking energy: -49.805
Base-Backbone interact. energy: -0.414
local terms energy: -55.507570
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -5.499
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -10.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -111.672408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.672408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.672408 (E_RNA)
where:
Base-Base interactions energy: -60.827
where: short stacking energy: -33.447
Base-Backbone interact. energy: -0.209
local terms energy: -50.636397
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -7.369
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -6.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -91.302046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.302046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.302046 (E_RNA)
where:
Base-Base interactions energy: -32.118
where: short stacking energy: -32.118
Base-Backbone interact. energy: -0.003
local terms energy: -59.181609
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -11.205
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: 8, replica: 4
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -90.415450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.415450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.415450 (E_RNA)
where:
Base-Base interactions energy: -36.755
where: short stacking energy: -36.755
Base-Backbone interact. energy: -0.140
local terms energy: -53.520968
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -6.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -76.506592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.506592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.506592 (E_RNA)
where:
Base-Base interactions energy: -28.578
where: short stacking energy: -28.149
Base-Backbone interact. energy: -0.109
local terms energy: -47.819455
where:
bonds (distance) C4'-P energy: -9.979
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -5.510
tors. eta vs tors. theta energy: -3.380
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: 1
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -82.554858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.554858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.554858 (E_RNA)
where:
Base-Base interactions energy: -33.052
where: short stacking energy: -33.052
Base-Backbone interact. energy: -0.052
local terms energy: -49.450848
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -4.013
tors. eta vs tors. theta energy: -3.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -205.693957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.693957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.693957 (E_RNA)
where:
Base-Base interactions energy: -126.671
where: short stacking energy: -68.702
Base-Backbone interact. energy: -0.001
local terms energy: -79.021807
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -20.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -199.215567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.215567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.215567 (E_RNA)
where:
Base-Base interactions energy: -135.919
where: short stacking energy: -71.122
Base-Backbone interact. energy: -0.010
local terms energy: -63.286688
where:
bonds (distance) C4'-P energy: -8.867
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -15.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -177.904211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.904211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.904211 (E_RNA)
where:
Base-Base interactions energy: -106.532
where: short stacking energy: -60.316
Base-Backbone interact. energy: -0.098
local terms energy: -71.274266
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -15.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -173.387619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.387619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.387619 (E_RNA)
where:
Base-Base interactions energy: -106.943
where: short stacking energy: -53.060
Base-Backbone interact. energy: -0.394
local terms energy: -66.050702
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -9.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -153.110762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.110762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.110762 (E_RNA)
where:
Base-Base interactions energy: -84.363
where: short stacking energy: -48.929
Base-Backbone interact. energy: -0.208
local terms energy: -68.540059
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -12.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -99.992467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.992467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.992467 (E_RNA)
where:
Base-Base interactions energy: -41.615
where: short stacking energy: -37.636
Base-Backbone interact. energy: -0.060
local terms energy: -58.317893
where:
bonds (distance) C4'-P energy: -14.270
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -10.266
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -9.047
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: 360
Temperature: 1.200000
Total energy: -89.849166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.849166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.849166 (E_RNA)
where:
Base-Base interactions energy: -35.162
where: short stacking energy: -33.850
Base-Backbone interact. energy: -0.402
local terms energy: -54.284567
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -6.855
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -5.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -100.636776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.636776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.636776 (E_RNA)
where:
Base-Base interactions energy: -43.304
where: short stacking energy: -43.304
Base-Backbone interact. energy: -0.029
local terms energy: -57.303393
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -7.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -80.668113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.668113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.668113 (E_RNA)
where:
Base-Base interactions energy: -20.190
where: short stacking energy: -18.411
Base-Backbone interact. energy: -0.633
local terms energy: -59.845054
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -4.961
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: 6
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -80.636397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.636397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.636397 (E_RNA)
where:
Base-Base interactions energy: -31.969
where: short stacking energy: -33.269
Base-Backbone interact. energy: 0.098
local terms energy: -48.764920
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: 1.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -201.342738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.342738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.342738 (E_RNA)
where:
Base-Base interactions energy: -122.688
where: short stacking energy: -67.251
Base-Backbone interact. energy: -0.869
local terms energy: -77.786019
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -21.316
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: 5
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -197.250663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.250663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.250663 (E_RNA)
where:
Base-Base interactions energy: -125.760
where: short stacking energy: -70.363
Base-Backbone interact. energy: -0.208
local terms energy: -71.282686
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -12.298
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -21.962
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: 361
Temperature: 1.000000
Total energy: -180.766277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.766277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.766277 (E_RNA)
where:
Base-Base interactions energy: -103.623
where: short stacking energy: -62.358
Base-Backbone interact. energy: -0.396
local terms energy: -76.746872
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -19.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -157.975434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.975434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.975434 (E_RNA)
where:
Base-Base interactions energy: -92.774
where: short stacking energy: -50.629
Base-Backbone interact. energy: 0.255
local terms energy: -65.456424
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -7.349
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: 5, replica: 7
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -163.759805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.759805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.759805 (E_RNA)
where:
Base-Base interactions energy: -96.178
where: short stacking energy: -54.628
Base-Backbone interact. energy: -0.724
local terms energy: -66.858205
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -14.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -98.626928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.626928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.626928 (E_RNA)
where:
Base-Base interactions energy: -48.590
where: short stacking energy: -38.366
Base-Backbone interact. energy: -0.204
local terms energy: -49.832761
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -1.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -96.813856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.813856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.813856 (E_RNA)
where:
Base-Base interactions energy: -38.855
where: short stacking energy: -34.419
Base-Backbone interact. energy: -0.994
local terms energy: -56.964592
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -11.067
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: 8, replica: 1
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -87.828243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.828243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.828243 (E_RNA)
where:
Base-Base interactions energy: -33.227
where: short stacking energy: -30.810
Base-Backbone interact. energy: 0.443
local terms energy: -55.043761
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -11.428
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -8.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -89.432419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.432419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.432419 (E_RNA)
where:
Base-Base interactions energy: -32.771
where: short stacking energy: -28.072
Base-Backbone interact. energy: 0.268
local terms energy: -56.929377
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -3.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -76.073210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.073210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.073210 (E_RNA)
where:
Base-Base interactions energy: -27.515
where: short stacking energy: -23.284
Base-Backbone interact. energy: -0.343
local terms energy: -48.215144
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: 1.418
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: 362
Temperature: 0.900000
Total energy: -197.200387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.200387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.200387 (E_RNA)
where:
Base-Base interactions energy: -119.091
where: short stacking energy: -72.427
Base-Backbone interact. energy: -0.608
local terms energy: -77.501661
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -20.168
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: 2, replica: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -190.136062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.136062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.136062 (E_RNA)
where:
Base-Base interactions energy: -117.791
where: short stacking energy: -65.173
Base-Backbone interact. energy: -0.232
local terms energy: -72.112255
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -15.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -155.027221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.027221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.027221 (E_RNA)
where:
Base-Base interactions energy: -79.939
where: short stacking energy: -52.236
Base-Backbone interact. energy: -0.006
local terms energy: -75.082049
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -16.645
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -15.787
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: 2
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -183.511595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.511595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.511595 (E_RNA)
where:
Base-Base interactions energy: -115.187
where: short stacking energy: -63.111
Base-Backbone interact. energy: -0.207
local terms energy: -68.117293
where:
bonds (distance) C4'-P energy: -11.256
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -16.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -153.931461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.931461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.931461 (E_RNA)
where:
Base-Base interactions energy: -92.762
where: short stacking energy: -48.079
Base-Backbone interact. energy: -0.216
local terms energy: -60.952849
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -6.666
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: 4
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -100.084718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.084718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.084718 (E_RNA)
where:
Base-Base interactions energy: -42.860
where: short stacking energy: -41.508
Base-Backbone interact. energy: -0.002
local terms energy: -57.222105
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -8.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -102.032431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.032431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.032431 (E_RNA)
where:
Base-Base interactions energy: -50.812
where: short stacking energy: -24.776
Base-Backbone interact. energy: -0.192
local terms energy: -51.028384
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -10.312
flat angles P-C4'-P energy: -12.586
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: 8, replica: 1
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -75.957320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.957320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.957320 (E_RNA)
where:
Base-Base interactions energy: -26.175
where: short stacking energy: -24.910
Base-Backbone interact. energy: 0.249
local terms energy: -50.032200
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -10.620
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -8.994
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: 9, replica: 6
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -72.219230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.219230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.219230 (E_RNA)
where:
Base-Base interactions energy: -20.118
where: short stacking energy: -20.118
Base-Backbone interact. energy: -0.108
local terms energy: -51.993889
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -5.619
tors. eta vs tors. theta energy: -3.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -76.990346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.990346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.990346 (E_RNA)
where:
Base-Base interactions energy: -29.624
where: short stacking energy: -28.945
Base-Backbone interact. energy: -0.003
local terms energy: -47.364060
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -9.120
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -3.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -198.957120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.957120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.957120 (E_RNA)
where:
Base-Base interactions energy: -117.112
where: short stacking energy: -69.777
Base-Backbone interact. energy: -0.000
local terms energy: -81.845195
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -19.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -192.319364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.319364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.319364 (E_RNA)
where:
Base-Base interactions energy: -117.656
where: short stacking energy: -60.698
Base-Backbone interact. energy: -0.646
local terms energy: -74.017331
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -17.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -168.451356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.451356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.451356 (E_RNA)
where:
Base-Base interactions energy: -88.520
where: short stacking energy: -58.555
Base-Backbone interact. energy: -0.000
local terms energy: -79.931596
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -16.721
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: 4, replica: 2
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -177.651820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.651820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.651820 (E_RNA)
where:
Base-Base interactions energy: -108.328
where: short stacking energy: -58.400
Base-Backbone interact. energy: -0.084
local terms energy: -69.239835
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -16.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -171.366993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.366993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.366993 (E_RNA)
where:
Base-Base interactions energy: -108.136
where: short stacking energy: -60.732
Base-Backbone interact. energy: -0.149
local terms energy: -63.081928
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -14.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -101.346587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.346587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.346587 (E_RNA)
where:
Base-Base interactions energy: -42.048
where: short stacking energy: -42.004
Base-Backbone interact. energy: -0.955
local terms energy: -58.343131
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -4.409
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: 4
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -92.573415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.573415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.573415 (E_RNA)
where:
Base-Base interactions energy: -41.067
where: short stacking energy: -40.717
Base-Backbone interact. energy: -0.156
local terms energy: -51.349957
where:
bonds (distance) C4'-P energy: -9.147
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -7.621
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -10.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -86.298522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.298522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.298522 (E_RNA)
where:
Base-Base interactions energy: -30.640
where: short stacking energy: -29.921
Base-Backbone interact. energy: -0.136
local terms energy: -55.521907
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -2.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -84.422847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.422847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.422847 (E_RNA)
where:
Base-Base interactions energy: -36.008
where: short stacking energy: -20.158
Base-Backbone interact. energy: 0.741
local terms energy: -49.156789
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -0.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -72.859686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.859686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.859686 (E_RNA)
where:
Base-Base interactions energy: -23.715
where: short stacking energy: -23.715
Base-Backbone interact. energy: -0.159
local terms energy: -48.985405
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -7.130
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: 1, replica: 8
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -214.845317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.845317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.845317 (E_RNA)
where:
Base-Base interactions energy: -136.955
where: short stacking energy: -64.747
Base-Backbone interact. energy: -1.599
local terms energy: -76.291271
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -14.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -193.332976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.332976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.332976 (E_RNA)
where:
Base-Base interactions energy: -129.140
where: short stacking energy: -60.413
Base-Backbone interact. energy: -0.631
local terms energy: -63.561773
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -15.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -174.019557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.019557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.019557 (E_RNA)
where:
Base-Base interactions energy: -106.544
where: short stacking energy: -52.981
Base-Backbone interact. energy: -0.085
local terms energy: -67.390667
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -14.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -178.342243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.342243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.342243 (E_RNA)
where:
Base-Base interactions energy: -111.905
where: short stacking energy: -53.812
Base-Backbone interact. energy: -0.062
local terms energy: -66.374724
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -13.354
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: 364
Temperature: 1.100000
Total energy: -177.297834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.297834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.297834 (E_RNA)
where:
Base-Base interactions energy: -108.004
where: short stacking energy: -57.467
Base-Backbone interact. energy: -0.031
local terms energy: -69.262662
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -16.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -87.072653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.072653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.072653 (E_RNA)
where:
Base-Base interactions energy: -23.357
where: short stacking energy: -20.971
Base-Backbone interact. energy: -0.222
local terms energy: -63.493201
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -10.390
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: 7, replica: 4
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -85.535284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.535284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.535284 (E_RNA)
where:
Base-Base interactions energy: -38.597
where: short stacking energy: -33.348
Base-Backbone interact. energy: -0.011
local terms energy: -46.927363
where:
bonds (distance) C4'-P energy: -7.549
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -3.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -82.203805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.203805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.203805 (E_RNA)
where:
Base-Base interactions energy: -25.079
where: short stacking energy: -21.397
Base-Backbone interact. energy: -0.155
local terms energy: -56.969692
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -7.104
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -6.364
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: 10
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -89.646866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.646866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.646866 (E_RNA)
where:
Base-Base interactions energy: -37.682
where: short stacking energy: -32.662
Base-Backbone interact. energy: -0.054
local terms energy: -51.910516
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -12.347
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -6.402
tors. eta vs tors. theta energy: -5.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -71.494446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.494446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.494446 (E_RNA)
where:
Base-Base interactions energy: -25.840
where: short stacking energy: -24.534
Base-Backbone interact. energy: -0.067
local terms energy: -45.587267
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -1.989
tors. eta vs tors. theta energy: -5.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -210.507968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.507968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.507968 (E_RNA)
where:
Base-Base interactions energy: -141.382
where: short stacking energy: -65.203
Base-Backbone interact. energy: -1.049
local terms energy: -68.077434
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -12.660
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -16.803
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: 5
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -190.336396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.336396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.336396 (E_RNA)
where:
Base-Base interactions energy: -120.983
where: short stacking energy: -53.707
Base-Backbone interact. energy: -0.075
local terms energy: -69.278426
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -16.925
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: 3
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -172.117254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.117254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.117254 (E_RNA)
where:
Base-Base interactions energy: -102.052
where: short stacking energy: -63.294
Base-Backbone interact. energy: -0.096
local terms energy: -69.969417
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -11.988
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -18.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -170.553585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.553585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.553585 (E_RNA)
where:
Base-Base interactions energy: -106.115
where: short stacking energy: -57.922
Base-Backbone interact. energy: 0.803
local terms energy: -65.241268
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -15.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -147.220947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.220947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.220947 (E_RNA)
where:
Base-Base interactions energy: -79.770
where: short stacking energy: -48.236
Base-Backbone interact. energy: -0.128
local terms energy: -67.323578
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -12.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -92.039724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.039724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.039724 (E_RNA)
where:
Base-Base interactions energy: -33.979
where: short stacking energy: -16.987
Base-Backbone interact. energy: 1.223
local terms energy: -59.283369
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -12.084
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: 7, replica: 4
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -108.085689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.085689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.085689 (E_RNA)
where:
Base-Base interactions energy: -54.016
where: short stacking energy: -43.697
Base-Backbone interact. energy: -0.096
local terms energy: -53.973373
where:
bonds (distance) C4'-P energy: -8.029
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -11.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -131.001074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.001074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.001074 (E_RNA)
where:
Base-Base interactions energy: -69.216
where: short stacking energy: -38.325
Base-Backbone interact. energy: -0.242
local terms energy: -61.543282
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -4.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -81.732740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.732740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.732740 (E_RNA)
where:
Base-Base interactions energy: -28.330
where: short stacking energy: -26.326
Base-Backbone interact. energy: -0.816
local terms energy: -52.586463
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -8.833
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -3.661
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: 1
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -67.790246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.790246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.790246 (E_RNA)
where:
Base-Base interactions energy: -21.428
where: short stacking energy: -20.390
Base-Backbone interact. energy: -0.274
local terms energy: -46.088088
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -0.598
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: 5
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -204.465608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.465608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.465608 (E_RNA)
where:
Base-Base interactions energy: -118.869
where: short stacking energy: -65.472
Base-Backbone interact. energy: -0.627
local terms energy: -84.969885
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -21.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -191.494250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.494250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.494250 (E_RNA)
where:
Base-Base interactions energy: -122.482
where: short stacking energy: -65.409
Base-Backbone interact. energy: -0.007
local terms energy: -69.005250
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -17.070
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: 3, replica: 2
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -186.183399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.183399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.183399 (E_RNA)
where:
Base-Base interactions energy: -112.803
where: short stacking energy: -65.007
Base-Backbone interact. energy: 0.345
local terms energy: -73.724736
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -18.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -159.159798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.159798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.159798 (E_RNA)
where:
Base-Base interactions energy: -96.260
where: short stacking energy: -48.080
Base-Backbone interact. energy: -0.054
local terms energy: -62.845868
where:
bonds (distance) C4'-P energy: -7.644
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -12.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -155.830014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.830014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.830014 (E_RNA)
where:
Base-Base interactions energy: -89.338
where: short stacking energy: -49.177
Base-Backbone interact. energy: -0.563
local terms energy: -65.928360
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -8.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -89.342550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.342550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.342550 (E_RNA)
where:
Base-Base interactions energy: -37.792
where: short stacking energy: -37.792
Base-Backbone interact. energy: -0.082
local terms energy: -51.468120
where:
bonds (distance) C4'-P energy: -10.369
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -9.145
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -7.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -132.513676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.513676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.513676 (E_RNA)
where:
Base-Base interactions energy: -77.499
where: short stacking energy: -36.507
Base-Backbone interact. energy: -0.301
local terms energy: -54.713577
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -6.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -115.664622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.664622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.664622 (E_RNA)
where:
Base-Base interactions energy: -62.675
where: short stacking energy: -35.603
Base-Backbone interact. energy: -0.156
local terms energy: -52.834188
where:
bonds (distance) C4'-P energy: -16.417
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -5.080
tors. eta vs tors. theta energy: -4.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -81.279149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.279149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.279149 (E_RNA)
where:
Base-Base interactions energy: -30.743
where: short stacking energy: -28.074
Base-Backbone interact. energy: -0.253
local terms energy: -50.283419
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -6.204
tors. eta vs tors. theta energy: -4.288
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: 10, replica: 6
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -71.459734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.459734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.459734 (E_RNA)
where:
Base-Base interactions energy: -17.412
where: short stacking energy: -18.275
Base-Backbone interact. energy: -0.480
local terms energy: -53.567651
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -5.482
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: 1, replica: 5
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -210.954420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.954420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.954420 (E_RNA)
where:
Base-Base interactions energy: -126.618
where: short stacking energy: -76.690
Base-Backbone interact. energy: -0.246
local terms energy: -84.090291
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -24.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -180.763664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.763664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.763664 (E_RNA)
where:
Base-Base interactions energy: -108.201
where: short stacking energy: -59.366
Base-Backbone interact. energy: -0.321
local terms energy: -72.241573
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -16.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -187.140871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.140871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.140871 (E_RNA)
where:
Base-Base interactions energy: -111.422
where: short stacking energy: -60.941
Base-Backbone interact. energy: -0.001
local terms energy: -75.718574
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -17.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -154.220095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.220095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.220095 (E_RNA)
where:
Base-Base interactions energy: -94.307
where: short stacking energy: -42.574
Base-Backbone interact. energy: -0.236
local terms energy: -59.677123
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -9.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -172.025158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.025158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.025158 (E_RNA)
where:
Base-Base interactions energy: -98.035
where: short stacking energy: -57.915
Base-Backbone interact. energy: -0.001
local terms energy: -73.988365
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: -15.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -129.681999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.681999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.681999 (E_RNA)
where:
Base-Base interactions energy: -70.918
where: short stacking energy: -33.232
Base-Backbone interact. energy: -1.773
local terms energy: -56.990186
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -2.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -105.758620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.758620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.758620 (E_RNA)
where:
Base-Base interactions energy: -43.594
where: short stacking energy: -43.594
Base-Backbone interact. energy: -0.001
local terms energy: -62.163320
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -11.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -120.860671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.860671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.860671 (E_RNA)
where:
Base-Base interactions energy: -70.418
where: short stacking energy: -33.811
Base-Backbone interact. energy: 0.370
local terms energy: -50.812299
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -3.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -87.964586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.964586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.964586 (E_RNA)
where:
Base-Base interactions energy: -37.022
where: short stacking energy: -37.293
Base-Backbone interact. energy: 0.599
local terms energy: -51.542107
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -6.669
tors. eta vs tors. theta energy: -1.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -70.750432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.750432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.750432 (E_RNA)
where:
Base-Base interactions energy: -28.038
where: short stacking energy: -24.465
Base-Backbone interact. energy: -0.171
local terms energy: -42.541151
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: 4.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -183.803916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.803916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.803916 (E_RNA)
where:
Base-Base interactions energy: -104.896
where: short stacking energy: -57.594
Base-Backbone interact. energy: -1.702
local terms energy: -77.205307
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -14.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -196.899193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.899193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.899193 (E_RNA)
where:
Base-Base interactions energy: -119.615
where: short stacking energy: -68.676
Base-Backbone interact. energy: -0.096
local terms energy: -77.187339
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -13.122
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -20.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -187.324185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.324185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.324185 (E_RNA)
where:
Base-Base interactions energy: -115.578
where: short stacking energy: -63.410
Base-Backbone interact. energy: -0.436
local terms energy: -71.310033
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -18.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -162.712628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.712628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.712628 (E_RNA)
where:
Base-Base interactions energy: -96.934
where: short stacking energy: -56.951
Base-Backbone interact. energy: -0.042
local terms energy: -65.736347
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -15.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -166.766660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.766660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.766660 (E_RNA)
where:
Base-Base interactions energy: -104.947
where: short stacking energy: -52.265
Base-Backbone interact. energy: -0.106
local terms energy: -61.714049
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -10.499
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -12.249
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: 6, replica: 10
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -136.887237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.887237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.887237 (E_RNA)
where:
Base-Base interactions energy: -74.893
where: short stacking energy: -36.512
Base-Backbone interact. energy: -0.080
local terms energy: -61.914017
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -5.965
tors. eta vs tors. theta energy: -10.131
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: 4
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -89.321541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.321541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.321541 (E_RNA)
where:
Base-Base interactions energy: -31.615
where: short stacking energy: -31.615
Base-Backbone interact. energy: -0.454
local terms energy: -57.252194
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -5.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -93.433184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.433184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.433184 (E_RNA)
where:
Base-Base interactions energy: -37.606
where: short stacking energy: -37.606
Base-Backbone interact. energy: -0.216
local terms energy: -55.611719
where:
bonds (distance) C4'-P energy: -8.775
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -7.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -79.368775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.368775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.368775 (E_RNA)
where:
Base-Base interactions energy: -40.531
where: short stacking energy: -22.181
Base-Backbone interact. energy: -0.300
local terms energy: -38.538292
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -12.236
flat angles P-C4'-P energy: -0.520
tors. eta vs tors. theta energy: 1.241
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: 1
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -95.677773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.677773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.677773 (E_RNA)
where:
Base-Base interactions energy: -41.314
where: short stacking energy: -38.498
Base-Backbone interact. energy: -0.140
local terms energy: -54.224203
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: 0.487
tors. eta vs tors. theta energy: -10.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -186.877070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.877070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.877070 (E_RNA)
where:
Base-Base interactions energy: -115.492
where: short stacking energy: -62.594
Base-Backbone interact. energy: -0.957
local terms energy: -70.427587
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -14.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -198.134825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.134825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.134825 (E_RNA)
where:
Base-Base interactions energy: -128.612
where: short stacking energy: -68.083
Base-Backbone interact. energy: -0.336
local terms energy: -69.186851
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -18.225
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: 8
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -181.108317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.108317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.108317 (E_RNA)
where:
Base-Base interactions energy: -115.299
where: short stacking energy: -62.711
Base-Backbone interact. energy: -0.110
local terms energy: -65.699194
where:
bonds (distance) C4'-P energy: -9.304
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -14.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -164.941358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.941358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.941358 (E_RNA)
where:
Base-Base interactions energy: -110.785
where: short stacking energy: -52.035
Base-Backbone interact. energy: 2.741
local terms energy: -56.897763
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -9.723
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -10.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -156.956469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.956469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.956469 (E_RNA)
where:
Base-Base interactions energy: -96.840
where: short stacking energy: -50.790
Base-Backbone interact. energy: -0.180
local terms energy: -59.936588
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -5.545
tors. eta vs tors. theta energy: -10.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -111.388161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.388161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.388161 (E_RNA)
where:
Base-Base interactions energy: -54.224
where: short stacking energy: -26.790
Base-Backbone interact. energy: -0.070
local terms energy: -57.094245
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -0.808
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: 7, replica: 4
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -103.005904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.005904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.005904 (E_RNA)
where:
Base-Base interactions energy: -44.722
where: short stacking energy: -43.582
Base-Backbone interact. energy: -0.100
local terms energy: -58.183592
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -5.812
tors. eta vs tors. theta energy: -10.432
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: 9
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -90.840645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.840645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.840645 (E_RNA)
where:
Base-Base interactions energy: -33.216
where: short stacking energy: -26.311
Base-Backbone interact. energy: -0.164
local terms energy: -57.461100
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -7.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -78.001196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.001196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.001196 (E_RNA)
where:
Base-Base interactions energy: -29.427
where: short stacking energy: -27.889
Base-Backbone interact. energy: -0.253
local terms energy: -48.320950
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -8.931
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -1.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -84.314011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.314011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.314011 (E_RNA)
where:
Base-Base interactions energy: -35.817
where: short stacking energy: -35.817
Base-Backbone interact. energy: -0.071
local terms energy: -48.425816
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: -0.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -191.355585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.355585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.355585 (E_RNA)
where:
Base-Base interactions energy: -119.520
where: short stacking energy: -58.704
Base-Backbone interact. energy: -1.441
local terms energy: -70.394109
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -17.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -189.030910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.030910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.030910 (E_RNA)
where:
Base-Base interactions energy: -118.830
where: short stacking energy: -57.901
Base-Backbone interact. energy: -0.109
local terms energy: -70.092638
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -15.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -184.686383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.686383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.686383 (E_RNA)
where:
Base-Base interactions energy: -106.601
where: short stacking energy: -72.029
Base-Backbone interact. energy: -1.709
local terms energy: -76.376141
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -22.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -167.677508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.677508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.677508 (E_RNA)
where:
Base-Base interactions energy: -99.786
where: short stacking energy: -60.208
Base-Backbone interact. energy: -0.060
local terms energy: -67.831947
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -10.028
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -17.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -108.395804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.395804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.395804 (E_RNA)
where:
Base-Base interactions energy: -47.066
where: short stacking energy: -37.044
Base-Backbone interact. energy: -0.507
local terms energy: -60.823212
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -7.479
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: 6, replica: 7
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -148.993310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.993310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.993310 (E_RNA)
where:
Base-Base interactions energy: -85.895
where: short stacking energy: -45.817
Base-Backbone interact. energy: -0.192
local terms energy: -62.906434
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -9.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -80.574295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.574295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.574295 (E_RNA)
where:
Base-Base interactions energy: -24.238
where: short stacking energy: -24.558
Base-Backbone interact. energy: -0.215
local terms energy: -56.121385
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -6.641
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: 8, replica: 9
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -87.116894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.116894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.116894 (E_RNA)
where:
Base-Base interactions energy: -33.120
where: short stacking energy: -28.395
Base-Backbone interact. energy: 2.669
local terms energy: -56.666130
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -2.793
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: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -86.447554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.447554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.447554 (E_RNA)
where:
Base-Base interactions energy: -35.152
where: short stacking energy: -35.152
Base-Backbone interact. energy: -0.248
local terms energy: -51.047619
where:
bonds (distance) C4'-P energy: -6.675
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -8.258
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: 1
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -62.803980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.803980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.803980 (E_RNA)
where:
Base-Base interactions energy: -18.663
where: short stacking energy: -14.176
Base-Backbone interact. energy: -0.142
local terms energy: -43.999264
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: 1.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -192.792333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.792333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.792333 (E_RNA)
where:
Base-Base interactions energy: -112.811
where: short stacking energy: -66.444
Base-Backbone interact. energy: -0.880
local terms energy: -79.101327
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -21.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -169.514601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.514601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.514601 (E_RNA)
where:
Base-Base interactions energy: -100.800
where: short stacking energy: -57.383
Base-Backbone interact. energy: -0.007
local terms energy: -68.708218
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -8.955
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: 3, replica: 3
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -182.788226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.788226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.788226 (E_RNA)
where:
Base-Base interactions energy: -116.459
where: short stacking energy: -63.537
Base-Backbone interact. energy: -0.267
local terms energy: -66.062359
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -14.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -165.437237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.437237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.437237 (E_RNA)
where:
Base-Base interactions energy: -101.230
where: short stacking energy: -59.553
Base-Backbone interact. energy: -0.278
local terms energy: -63.929265
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -15.053
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: 10
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -100.015343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.015343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.015343 (E_RNA)
where:
Base-Base interactions energy: -43.444
where: short stacking energy: -31.880
Base-Backbone interact. energy: -0.203
local terms energy: -56.368642
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -4.829
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: 7
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -149.498847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.498847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.498847 (E_RNA)
where:
Base-Base interactions energy: -98.083
where: short stacking energy: -45.292
Base-Backbone interact. energy: 0.942
local terms energy: -52.358322
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -4.756
tors. eta vs tors. theta energy: -6.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -93.446391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.446391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.446391 (E_RNA)
where:
Base-Base interactions energy: -35.696
where: short stacking energy: -35.696
Base-Backbone interact. energy: 0.454
local terms energy: -58.204710
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -5.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -84.177569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.177569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.177569 (E_RNA)
where:
Base-Base interactions energy: -29.677
where: short stacking energy: -25.949
Base-Backbone interact. energy: 1.329
local terms energy: -55.830438
where:
bonds (distance) C4'-P energy: -9.946
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -10.207
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: 9
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -70.184981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.184981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.184981 (E_RNA)
where:
Base-Base interactions energy: -22.698
where: short stacking energy: -16.688
Base-Backbone interact. energy: -2.023
local terms energy: -45.463192
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -2.625
tors. eta vs tors. theta energy: -2.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -81.368448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.368448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.368448 (E_RNA)
where:
Base-Base interactions energy: -33.016
where: short stacking energy: -31.803
Base-Backbone interact. energy: -0.063
local terms energy: -48.289312
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -10.208
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: -1.196
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: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -198.600400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.600400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.600400 (E_RNA)
where:
Base-Base interactions energy: -118.118
where: short stacking energy: -64.063
Base-Backbone interact. energy: -0.007
local terms energy: -80.475161
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -13.669
tors. eta vs tors. theta energy: -19.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -187.590618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.590618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.590618 (E_RNA)
where:
Base-Base interactions energy: -115.073
where: short stacking energy: -68.086
Base-Backbone interact. energy: -0.002
local terms energy: -72.515573
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -18.833
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: 8
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -169.252615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.252615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.252615 (E_RNA)
where:
Base-Base interactions energy: -107.362
where: short stacking energy: -55.521
Base-Backbone interact. energy: -0.125
local terms energy: -61.766441
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -8.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -159.279298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.279298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.279298 (E_RNA)
where:
Base-Base interactions energy: -94.649
where: short stacking energy: -53.881
Base-Backbone interact. energy: -0.064
local terms energy: -64.565812
where:
bonds (distance) C4'-P energy: -7.272
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -19.388
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: 372
Temperature: 1.100000
Total energy: -142.313180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.313180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.313180 (E_RNA)
where:
Base-Base interactions energy: -82.591
where: short stacking energy: -42.518
Base-Backbone interact. energy: -0.905
local terms energy: -58.817458
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -6.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -137.720594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.720594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.720594 (E_RNA)
where:
Base-Base interactions energy: -86.721
where: short stacking energy: -33.372
Base-Backbone interact. energy: 2.190
local terms energy: -53.189540
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -3.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -85.618452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.618452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.618452 (E_RNA)
where:
Base-Base interactions energy: -23.968
where: short stacking energy: -20.753
Base-Backbone interact. energy: -0.287
local terms energy: -61.363178
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -7.068
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: 4
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -97.590360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.590360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.590360 (E_RNA)
where:
Base-Base interactions energy: -35.694
where: short stacking energy: -35.694
Base-Backbone interact. energy: -0.049
local terms energy: -61.848027
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -10.774
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -7.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -75.598235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.598235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.598235 (E_RNA)
where:
Base-Base interactions energy: -29.131
where: short stacking energy: -23.944
Base-Backbone interact. energy: -0.194
local terms energy: -46.273136
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -0.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -73.630331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.630331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.630331 (E_RNA)
where:
Base-Base interactions energy: -26.924
where: short stacking energy: -17.202
Base-Backbone interact. energy: -0.191
local terms energy: -46.514969
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: 1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -195.592391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.592391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.592391 (E_RNA)
where:
Base-Base interactions energy: -121.633
where: short stacking energy: -66.160
Base-Backbone interact. energy: 1.157
local terms energy: -75.115686
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -18.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -186.000117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.000117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.000117 (E_RNA)
where:
Base-Base interactions energy: -111.025
where: short stacking energy: -63.105
Base-Backbone interact. energy: -0.002
local terms energy: -74.973285
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -11.077
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -21.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -149.460102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.460102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.460102 (E_RNA)
where:
Base-Base interactions energy: -89.641
where: short stacking energy: -44.732
Base-Backbone interact. energy: -2.662
local terms energy: -57.157132
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -10.018
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -7.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -161.057770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.057770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.057770 (E_RNA)
where:
Base-Base interactions energy: -98.655
where: short stacking energy: -48.812
Base-Backbone interact. energy: -0.038
local terms energy: -62.364556
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -11.161
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -11.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -146.140119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.140119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.140119 (E_RNA)
where:
Base-Base interactions energy: -89.448
where: short stacking energy: -44.168
Base-Backbone interact. energy: -0.380
local terms energy: -56.311423
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -7.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -164.554178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.554178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.554178 (E_RNA)
where:
Base-Base interactions energy: -98.913
where: short stacking energy: -46.629
Base-Backbone interact. energy: -0.089
local terms energy: -65.551513
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -11.983
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -9.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -87.758063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.758063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.758063 (E_RNA)
where:
Base-Base interactions energy: -37.850
where: short stacking energy: -30.690
Base-Backbone interact. energy: 0.376
local terms energy: -50.283895
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -0.195
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: 4
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -83.285366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.285366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.285366 (E_RNA)
where:
Base-Base interactions energy: -25.010
where: short stacking energy: -19.528
Base-Backbone interact. energy: -1.096
local terms energy: -57.178539
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -2.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -80.403643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.403643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.403643 (E_RNA)
where:
Base-Base interactions energy: -25.400
where: short stacking energy: -25.400
Base-Backbone interact. energy: 0.027
local terms energy: -55.030696
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -5.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -85.981716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.981716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.981716 (E_RNA)
where:
Base-Base interactions energy: -38.555
where: short stacking energy: -18.630
Base-Backbone interact. energy: -0.112
local terms energy: -47.314931
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: 1.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -188.068247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.068247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.068247 (E_RNA)
where:
Base-Base interactions energy: -113.942
where: short stacking energy: -63.209
Base-Backbone interact. energy: -0.104
local terms energy: -74.022031
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -17.256
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: 5
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -203.161711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.161711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.161711 (E_RNA)
where:
Base-Base interactions energy: -125.258
where: short stacking energy: -63.054
Base-Backbone interact. energy: 0.618
local terms energy: -78.521791
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -16.215
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: 3, replica: 7
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -194.216198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.216198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.216198 (E_RNA)
where:
Base-Base interactions energy: -131.719
where: short stacking energy: -60.490
Base-Backbone interact. energy: -0.191
local terms energy: -62.305893
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -15.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -162.894253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.894253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.894253 (E_RNA)
where:
Base-Base interactions energy: -102.286
where: short stacking energy: -52.223
Base-Backbone interact. energy: -0.973
local terms energy: -59.634541
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -2.684
tors. eta vs tors. theta energy: -13.942
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: 5, replica: 10
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -161.119470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.119470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.119470 (E_RNA)
where:
Base-Base interactions energy: -93.999
where: short stacking energy: -52.507
Base-Backbone interact. energy: -1.304
local terms energy: -65.816728
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -13.412
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: 3
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -146.429249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.429249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.429249 (E_RNA)
where:
Base-Base interactions energy: -85.707
where: short stacking energy: -51.432
Base-Backbone interact. energy: -0.049
local terms energy: -60.672558
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -10.998
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -10.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -86.199561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.199561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.199561 (E_RNA)
where:
Base-Base interactions energy: -26.401
where: short stacking energy: -19.815
Base-Backbone interact. energy: -0.149
local terms energy: -59.649832
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -3.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -78.960611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.960611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.960611 (E_RNA)
where:
Base-Base interactions energy: -28.216
where: short stacking energy: -27.017
Base-Backbone interact. energy: -0.090
local terms energy: -50.654855
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -7.507
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -2.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -83.252876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.252876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.252876 (E_RNA)
where:
Base-Base interactions energy: -30.397
where: short stacking energy: -30.397
Base-Backbone interact. energy: -0.139
local terms energy: -52.717151
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: 0.493
tors. eta vs tors. theta energy: -10.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -76.470579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.470579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.470579 (E_RNA)
where:
Base-Base interactions energy: -32.168
where: short stacking energy: -27.201
Base-Backbone interact. energy: -0.320
local terms energy: -43.982126
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -10.219
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -5.163
tors. eta vs tors. theta energy: -3.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -176.229403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.229403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.229403 (E_RNA)
where:
Base-Base interactions energy: -106.775
where: short stacking energy: -50.186
Base-Backbone interact. energy: -0.147
local terms energy: -69.307682
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -15.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -187.732269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.732269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.732269 (E_RNA)
where:
Base-Base interactions energy: -108.150
where: short stacking energy: -59.258
Base-Backbone interact. energy: -1.185
local terms energy: -78.396913
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -14.845
tors. eta vs tors. theta energy: -16.643
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: 7
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -184.112454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.112454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.112454 (E_RNA)
where:
Base-Base interactions energy: -115.411
where: short stacking energy: -55.096
Base-Backbone interact. energy: -0.155
local terms energy: -68.546261
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -10.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -176.835708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.835708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.835708 (E_RNA)
where:
Base-Base interactions energy: -105.338
where: short stacking energy: -56.459
Base-Backbone interact. energy: -0.518
local terms energy: -70.979101
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -5.975
tors. eta vs tors. theta energy: -15.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -140.416550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.416550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.416550 (E_RNA)
where:
Base-Base interactions energy: -82.506
where: short stacking energy: -40.447
Base-Backbone interact. energy: -0.036
local terms energy: -57.874683
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -6.053
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: 4
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -98.803189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.803189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.803189 (E_RNA)
where:
Base-Base interactions energy: -42.360
where: short stacking energy: -28.859
Base-Backbone interact. energy: -0.441
local terms energy: -56.001882
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -4.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -148.061209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.061209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.061209 (E_RNA)
where:
Base-Base interactions energy: -89.801
where: short stacking energy: -41.024
Base-Backbone interact. energy: -0.164
local terms energy: -58.096008
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -9.985
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: 1
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -94.608269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.608269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.608269 (E_RNA)
where:
Base-Base interactions energy: -44.984
where: short stacking energy: -32.691
Base-Backbone interact. energy: -0.086
local terms energy: -49.538384
where:
bonds (distance) C4'-P energy: -7.929
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -9.735
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -6.468
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: 6
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -84.517605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.517605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.517605 (E_RNA)
where:
Base-Base interactions energy: -32.988
where: short stacking energy: -25.827
Base-Backbone interact. energy: -0.264
local terms energy: -51.265839
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -8.214
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: 9
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -76.220173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.220173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.220173 (E_RNA)
where:
Base-Base interactions energy: -31.582
where: short stacking energy: -30.425
Base-Backbone interact. energy: -0.025
local terms energy: -44.613173
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -6.505
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: -1.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -201.066172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.066172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.066172 (E_RNA)
where:
Base-Base interactions energy: -134.040
where: short stacking energy: -61.470
Base-Backbone interact. energy: -0.536
local terms energy: -66.490527
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: -15.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -176.080598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.080598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.080598 (E_RNA)
where:
Base-Base interactions energy: -108.866
where: short stacking energy: -60.170
Base-Backbone interact. energy: -0.159
local terms energy: -67.056337
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -15.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -183.831463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.831463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.831463 (E_RNA)
where:
Base-Base interactions energy: -113.871
where: short stacking energy: -64.260
Base-Backbone interact. energy: -0.024
local terms energy: -69.936410
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -18.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -175.959315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.959315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.959315 (E_RNA)
where:
Base-Base interactions energy: -101.881
where: short stacking energy: -53.397
Base-Backbone interact. energy: -0.078
local terms energy: -74.000774
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: -13.144
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: 5, replica: 4
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -98.549496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.549496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.549496 (E_RNA)
where:
Base-Base interactions energy: -36.378
where: short stacking energy: -36.293
Base-Backbone interact. energy: 1.200
local terms energy: -63.372072
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -6.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -149.751177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.751177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.751177 (E_RNA)
where:
Base-Base interactions energy: -81.822
where: short stacking energy: -41.768
Base-Backbone interact. energy: -0.008
local terms energy: -67.920836
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -10.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -171.889457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.889457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.889457 (E_RNA)
where:
Base-Base interactions energy: -103.997
where: short stacking energy: -55.001
Base-Backbone interact. energy: 0.527
local terms energy: -68.418651
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -13.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -94.009411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.009411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.009411 (E_RNA)
where:
Base-Base interactions energy: -33.025
where: short stacking energy: -33.025
Base-Backbone interact. energy: -0.191
local terms energy: -60.793304
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -16.205
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -7.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -88.269606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.269606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.269606 (E_RNA)
where:
Base-Base interactions energy: -31.716
where: short stacking energy: -31.716
Base-Backbone interact. energy: -0.101
local terms energy: -56.452594
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -10.650
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -8.413
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: 10, replica: 6
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -73.002405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.002405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.002405 (E_RNA)
where:
Base-Base interactions energy: -28.834
where: short stacking energy: -28.834
Base-Backbone interact. energy: -0.091
local terms energy: -44.077796
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -8.244
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -190.879883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.879883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.879883 (E_RNA)
where:
Base-Base interactions energy: -118.599
where: short stacking energy: -61.822
Base-Backbone interact. energy: -0.692
local terms energy: -71.589547
where:
bonds (distance) C4'-P energy: -8.879
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -15.924
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: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -182.814134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.814134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.814134 (E_RNA)
where:
Base-Base interactions energy: -115.189
where: short stacking energy: -59.047
Base-Backbone interact. energy: -0.584
local terms energy: -67.041383
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -16.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -189.618798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.618798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.618798 (E_RNA)
where:
Base-Base interactions energy: -118.240
where: short stacking energy: -57.851
Base-Backbone interact. energy: -0.384
local terms energy: -70.995466
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -17.577
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: 7
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -191.327554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.327554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.327554 (E_RNA)
where:
Base-Base interactions energy: -113.124
where: short stacking energy: -58.375
Base-Backbone interact. energy: -2.007
local terms energy: -76.196637
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -16.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -91.605801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.605801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.605801 (E_RNA)
where:
Base-Base interactions energy: -34.830
where: short stacking energy: -34.371
Base-Backbone interact. energy: -0.085
local terms energy: -56.690331
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -14.900
flat angles C4'-P-C4' energy: -9.050
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -8.927
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: 6, replica: 3
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -141.583171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.583171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.583171 (E_RNA)
where:
Base-Base interactions energy: -86.764
where: short stacking energy: -45.229
Base-Backbone interact. energy: -0.489
local terms energy: -54.330850
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -5.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -152.335665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.335665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.335665 (E_RNA)
where:
Base-Base interactions energy: -85.019
where: short stacking energy: -49.021
Base-Backbone interact. energy: -0.006
local terms energy: -67.310661
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -14.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -86.340681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.340681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.340681 (E_RNA)
where:
Base-Base interactions energy: -43.338
where: short stacking energy: -36.742
Base-Backbone interact. energy: 0.328
local terms energy: -43.331396
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -9.354
flat angles P-C4'-P energy: -4.044
tors. eta vs tors. theta energy: 0.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -93.753600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.753600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.753600 (E_RNA)
where:
Base-Base interactions energy: -31.889
where: short stacking energy: -27.445
Base-Backbone interact. energy: -0.135
local terms energy: -61.729286
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -13.594
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -7.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -76.472375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.472375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.472375 (E_RNA)
where:
Base-Base interactions energy: -24.432
where: short stacking energy: -20.632
Base-Backbone interact. energy: -0.157
local terms energy: -51.883003
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -6.390
tors. eta vs tors. theta energy: -4.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -198.170031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.170031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.170031 (E_RNA)
where:
Base-Base interactions energy: -123.149
where: short stacking energy: -66.987
Base-Backbone interact. energy: -0.181
local terms energy: -74.839361
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -18.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -197.678780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.678780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.678780 (E_RNA)
where:
Base-Base interactions energy: -125.192
where: short stacking energy: -60.445
Base-Backbone interact. energy: -0.002
local terms energy: -72.485509
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -16.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -189.924133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.924133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.924133 (E_RNA)
where:
Base-Base interactions energy: -110.560
where: short stacking energy: -52.636
Base-Backbone interact. energy: -0.435
local terms energy: -78.929303
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -17.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -181.882225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.882225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.882225 (E_RNA)
where:
Base-Base interactions energy: -107.214
where: short stacking energy: -54.785
Base-Backbone interact. energy: -0.020
local terms energy: -74.647943
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -19.339
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: 3
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -165.090139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.090139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.090139 (E_RNA)
where:
Base-Base interactions energy: -100.112
where: short stacking energy: -50.954
Base-Backbone interact. energy: -0.079
local terms energy: -64.899611
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -11.581
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -16.668
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: 4
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -92.785817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.785817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.785817 (E_RNA)
where:
Base-Base interactions energy: -33.723
where: short stacking energy: -33.723
Base-Backbone interact. energy: -0.114
local terms energy: -58.948518
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -4.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -107.218626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.218626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.218626 (E_RNA)
where:
Base-Base interactions energy: -61.966
where: short stacking energy: -34.906
Base-Backbone interact. energy: 1.968
local terms energy: -47.220277
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -8.254
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -0.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -140.074995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.074995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.074995 (E_RNA)
where:
Base-Base interactions energy: -77.753
where: short stacking energy: -37.830
Base-Backbone interact. energy: -0.493
local terms energy: -61.828292
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -7.005
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: 9
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -80.098409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.098409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.098409 (E_RNA)
where:
Base-Base interactions energy: -25.941
where: short stacking energy: -20.007
Base-Backbone interact. energy: -0.104
local terms energy: -54.053692
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -9.714
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: 10, replica: 6
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -74.059986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.059986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.059986 (E_RNA)
where:
Base-Base interactions energy: -25.420
where: short stacking energy: -24.992
Base-Backbone interact. energy: 0.596
local terms energy: -49.236200
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -4.279
tors. eta vs tors. theta energy: -3.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -192.172761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.172761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.172761 (E_RNA)
where:
Base-Base interactions energy: -116.095
where: short stacking energy: -64.304
Base-Backbone interact. energy: -0.005
local terms energy: -76.072650
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -22.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -192.794895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.794895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.794895 (E_RNA)
where:
Base-Base interactions energy: -120.179
where: short stacking energy: -55.083
Base-Backbone interact. energy: -0.049
local terms energy: -72.567062
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -15.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -181.316199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.316199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.316199 (E_RNA)
where:
Base-Base interactions energy: -111.790
where: short stacking energy: -59.165
Base-Backbone interact. energy: -0.685
local terms energy: -68.841103
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -18.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -178.764325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.764325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.764325 (E_RNA)
where:
Base-Base interactions energy: -111.104
where: short stacking energy: -61.335
Base-Backbone interact. energy: -0.210
local terms energy: -67.450011
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -15.068
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: 5, replica: 3
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -161.747636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.747636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.747636 (E_RNA)
where:
Base-Base interactions energy: -89.969
where: short stacking energy: -48.610
Base-Backbone interact. energy: -0.128
local terms energy: -71.649921
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -15.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -148.132451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.132451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.132451 (E_RNA)
where:
Base-Base interactions energy: -94.024
where: short stacking energy: -45.897
Base-Backbone interact. energy: 2.000
local terms energy: -56.108405
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -8.230
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -9.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -94.083847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.083847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.083847 (E_RNA)
where:
Base-Base interactions energy: -37.756
where: short stacking energy: -36.570
Base-Backbone interact. energy: -0.045
local terms energy: -56.283056
where:
bonds (distance) C4'-P energy: -9.051
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -9.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -135.666340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.666340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.666340 (E_RNA)
where:
Base-Base interactions energy: -82.470
where: short stacking energy: -40.939
Base-Backbone interact. energy: -0.296
local terms energy: -52.901156
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -6.693
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: 9, replica: 9
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -72.381696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.381696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.381696 (E_RNA)
where:
Base-Base interactions energy: -25.347
where: short stacking energy: -17.899
Base-Backbone interact. energy: -0.464
local terms energy: -46.570396
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -10.603
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: 3.275
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: 6
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -65.629426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.629426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.629426 (E_RNA)
where:
Base-Base interactions energy: -31.725
where: short stacking energy: -29.194
Base-Backbone interact. energy: -1.005
local terms energy: -32.899760
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: 2.038
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: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -201.342730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.342730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.342730 (E_RNA)
where:
Base-Base interactions energy: -126.355
where: short stacking energy: -63.816
Base-Backbone interact. energy: -0.092
local terms energy: -74.895723
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -16.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -186.164387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.164387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.164387 (E_RNA)
where:
Base-Base interactions energy: -108.881
where: short stacking energy: -66.274
Base-Backbone interact. energy: -0.294
local terms energy: -76.989126
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -21.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -189.918452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.918452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.918452 (E_RNA)
where:
Base-Base interactions energy: -118.427
where: short stacking energy: -71.154
Base-Backbone interact. energy: -0.191
local terms energy: -71.300520
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -21.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -174.294811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.294811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.294811 (E_RNA)
where:
Base-Base interactions energy: -107.420
where: short stacking energy: -57.443
Base-Backbone interact. energy: -1.843
local terms energy: -65.031861
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -9.320
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -14.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -164.591170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.591170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.591170 (E_RNA)
where:
Base-Base interactions energy: -98.685
where: short stacking energy: -46.783
Base-Backbone interact. energy: -0.040
local terms energy: -65.865324
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -5.650
tors. eta vs tors. theta energy: -13.197
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: 6, replica: 3
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -163.336929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.336929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.336929 (E_RNA)
where:
Base-Base interactions energy: -95.998
where: short stacking energy: -45.464
Base-Backbone interact. energy: -0.157
local terms energy: -67.182380
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -11.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -152.600295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.600295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.600295 (E_RNA)
where:
Base-Base interactions energy: -90.774
where: short stacking energy: -51.846
Base-Backbone interact. energy: -0.057
local terms energy: -61.768504
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -10.377
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -12.663
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: 8, replica: 4
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -90.063890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.063890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.063890 (E_RNA)
where:
Base-Base interactions energy: -36.218
where: short stacking energy: -36.176
Base-Backbone interact. energy: -0.424
local terms energy: -53.421798
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -4.408
tors. eta vs tors. theta energy: -7.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -69.545950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.545950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.545950 (E_RNA)
where:
Base-Base interactions energy: -33.868
where: short stacking energy: -17.325
Base-Backbone interact. energy: -1.189
local terms energy: -34.489710
where:
bonds (distance) C4'-P energy: -9.533
bonds (distance) P-C4' energy: -9.868
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -4.436
tors. eta vs tors. theta energy: 2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -70.751162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.751162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.751162 (E_RNA)
where:
Base-Base interactions energy: -27.922
where: short stacking energy: -25.509
Base-Backbone interact. energy: -0.145
local terms energy: -42.684574
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -10.147
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -4.879
tors. eta vs tors. theta energy: -2.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -194.311213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.311213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.311213 (E_RNA)
where:
Base-Base interactions energy: -120.512
where: short stacking energy: -61.920
Base-Backbone interact. energy: -0.001
local terms energy: -73.798644
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -18.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -193.892841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.892841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.892841 (E_RNA)
where:
Base-Base interactions energy: -118.539
where: short stacking energy: -63.391
Base-Backbone interact. energy: -0.014
local terms energy: -75.339209
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -17.747
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: 7
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -189.235055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.235055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.235055 (E_RNA)
where:
Base-Base interactions energy: -118.179
where: short stacking energy: -64.255
Base-Backbone interact. energy: 0.129
local terms energy: -71.184885
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -15.242
flat angles C4'-P-C4' energy: -10.785
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -20.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -174.649591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.649591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.649591 (E_RNA)
where:
Base-Base interactions energy: -110.933
where: short stacking energy: -50.347
Base-Backbone interact. energy: -0.490
local terms energy: -63.225897
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -10.145
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: 8
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -165.333038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.333038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.333038 (E_RNA)
where:
Base-Base interactions energy: -100.642
where: short stacking energy: -46.390
Base-Backbone interact. energy: -0.217
local terms energy: -64.474099
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -14.135
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: 3
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -162.494517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.494517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.494517 (E_RNA)
where:
Base-Base interactions energy: -102.038
where: short stacking energy: -54.275
Base-Backbone interact. energy: -0.098
local terms energy: -60.358718
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -12.682
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: 10
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -146.175663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.175663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.175663 (E_RNA)
where:
Base-Base interactions energy: -82.393
where: short stacking energy: -38.730
Base-Backbone interact. energy: -0.106
local terms energy: -63.677080
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -7.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -86.698382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.698382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.698382 (E_RNA)
where:
Base-Base interactions energy: -31.778
where: short stacking energy: -27.457
Base-Backbone interact. energy: -0.008
local terms energy: -54.913065
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -2.590
tors. eta vs tors. theta energy: -6.511
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: 4
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -77.331263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.331263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.331263 (E_RNA)
where:
Base-Base interactions energy: -27.668
where: short stacking energy: -26.471
Base-Backbone interact. energy: -0.281
local terms energy: -49.383020
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -10.103
flat angles P-C4'-P energy: -5.974
tors. eta vs tors. theta energy: -1.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -77.358548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.358548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.358548 (E_RNA)
where:
Base-Base interactions energy: -28.938
where: short stacking energy: -14.017
Base-Backbone interact. energy: -0.260
local terms energy: -48.160454
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: 5.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -198.961975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.961975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.961975 (E_RNA)
where:
Base-Base interactions energy: -123.306
where: short stacking energy: -69.895
Base-Backbone interact. energy: -0.012
local terms energy: -75.644106
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -21.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -176.692519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.692519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.692519 (E_RNA)
where:
Base-Base interactions energy: -109.453
where: short stacking energy: -58.698
Base-Backbone interact. energy: -0.866
local terms energy: -66.373177
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -14.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -186.652275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.652275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.652275 (E_RNA)
where:
Base-Base interactions energy: -113.910
where: short stacking energy: -60.636
Base-Backbone interact. energy: -0.072
local terms energy: -72.669781
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -15.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -160.985770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.985770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.985770 (E_RNA)
where:
Base-Base interactions energy: -94.544
where: short stacking energy: -50.885
Base-Backbone interact. energy: -0.004
local terms energy: -66.437662
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -11.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -172.275044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.275044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.275044 (E_RNA)
where:
Base-Base interactions energy: -105.057
where: short stacking energy: -59.373
Base-Backbone interact. energy: -0.006
local terms energy: -67.212046
where:
bonds (distance) C4'-P energy: -9.972
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -17.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -142.760359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.760359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.760359 (E_RNA)
where:
Base-Base interactions energy: -84.391
where: short stacking energy: -43.261
Base-Backbone interact. energy: -0.317
local terms energy: -58.051912
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -5.288
tors. eta vs tors. theta energy: -9.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -151.331940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.331940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.331940 (E_RNA)
where:
Base-Base interactions energy: -94.091
where: short stacking energy: -52.119
Base-Backbone interact. energy: -0.115
local terms energy: -57.125699
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -11.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -76.196635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.196635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.196635 (E_RNA)
where:
Base-Base interactions energy: -40.724
where: short stacking energy: -17.579
Base-Backbone interact. energy: -0.231
local terms energy: -35.241653
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -12.696
flat angles C4'-P-C4' energy: -6.140
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: 5.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -80.127252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.127252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.127252 (E_RNA)
where:
Base-Base interactions energy: -26.727
where: short stacking energy: -19.252
Base-Backbone interact. energy: -0.186
local terms energy: -53.214418
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -6.403
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -3.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -74.257543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.257543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.257543 (E_RNA)
where:
Base-Base interactions energy: -34.353
where: short stacking energy: -26.170
Base-Backbone interact. energy: -0.186
local terms energy: -39.719168
where:
bonds (distance) C4'-P energy: -5.401
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -2.960
tors. eta vs tors. theta energy: -2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -194.287756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.287756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.287756 (E_RNA)
where:
Base-Base interactions energy: -124.873
where: short stacking energy: -66.121
Base-Backbone interact. energy: -0.138
local terms energy: -69.276400
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -9.887
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -18.743
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: 7
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -185.413070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.413070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.413070 (E_RNA)
where:
Base-Base interactions energy: -109.325
where: short stacking energy: -61.471
Base-Backbone interact. energy: -0.015
local terms energy: -76.072904
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -19.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -177.966338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.966338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.966338 (E_RNA)
where:
Base-Base interactions energy: -104.337
where: short stacking energy: -60.225
Base-Backbone interact. energy: -0.408
local terms energy: -73.221544
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -13.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -178.542264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.542264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.542264 (E_RNA)
where:
Base-Base interactions energy: -103.182
where: short stacking energy: -56.026
Base-Backbone interact. energy: -0.113
local terms energy: -75.247968
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -17.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -142.363988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.363988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.363988 (E_RNA)
where:
Base-Base interactions energy: -85.032
where: short stacking energy: -46.276
Base-Backbone interact. energy: -0.199
local terms energy: -57.132942
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -9.932
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -6.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -158.617341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.617341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.617341 (E_RNA)
where:
Base-Base interactions energy: -97.876
where: short stacking energy: -42.215
Base-Backbone interact. energy: -0.468
local terms energy: -60.273651
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -12.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -159.457085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.457085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.457085 (E_RNA)
where:
Base-Base interactions energy: -99.412
where: short stacking energy: -43.208
Base-Backbone interact. energy: -0.336
local terms energy: -59.709604
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -10.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -91.421860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.421860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.421860 (E_RNA)
where:
Base-Base interactions energy: -44.915
where: short stacking energy: -26.980
Base-Backbone interact. energy: -0.722
local terms energy: -45.784841
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: 1.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -73.498606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.498606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.498606 (E_RNA)
where:
Base-Base interactions energy: -19.828
where: short stacking energy: -19.211
Base-Backbone interact. energy: -0.514
local terms energy: -53.156845
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -0.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -81.126210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.126210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.126210 (E_RNA)
where:
Base-Base interactions energy: -32.828
where: short stacking energy: -32.100
Base-Backbone interact. energy: 0.770
local terms energy: -49.068707
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -3.037
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: 1, replica: 7
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -187.121391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.121391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.121391 (E_RNA)
where:
Base-Base interactions energy: -112.678
where: short stacking energy: -65.085
Base-Backbone interact. energy: -0.724
local terms energy: -73.719717
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -17.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -190.244304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.244304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.244304 (E_RNA)
where:
Base-Base interactions energy: -112.285
where: short stacking energy: -64.229
Base-Backbone interact. energy: -0.415
local terms energy: -77.544332
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -16.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -172.878260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.878260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.878260 (E_RNA)
where:
Base-Base interactions energy: -104.998
where: short stacking energy: -55.774
Base-Backbone interact. energy: -0.427
local terms energy: -67.453628
where:
bonds (distance) C4'-P energy: -11.008
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -15.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -169.036035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.036035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.036035 (E_RNA)
where:
Base-Base interactions energy: -103.508
where: short stacking energy: -58.026
Base-Backbone interact. energy: -0.011
local terms energy: -65.517026
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -13.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -172.364080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.364080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.364080 (E_RNA)
where:
Base-Base interactions energy: -102.466
where: short stacking energy: -56.189
Base-Backbone interact. energy: -0.001
local terms energy: -69.896986
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -18.255
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: 1
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -161.587632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.587632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.587632 (E_RNA)
where:
Base-Base interactions energy: -101.241
where: short stacking energy: -57.601
Base-Backbone interact. energy: -0.012
local terms energy: -60.334632
where:
bonds (distance) C4'-P energy: -9.107
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -10.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -151.645394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.645394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.645394 (E_RNA)
where:
Base-Base interactions energy: -90.526
where: short stacking energy: -50.641
Base-Backbone interact. energy: -0.672
local terms energy: -60.447686
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -7.001
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: 8, replica: 6
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -72.580412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.580412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.580412 (E_RNA)
where:
Base-Base interactions energy: -22.211
where: short stacking energy: -20.046
Base-Backbone interact. energy: -0.028
local terms energy: -50.341140
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -5.713
tors. eta vs tors. theta energy: 3.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -81.776586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.776586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.776586 (E_RNA)
where:
Base-Base interactions energy: -31.565
where: short stacking energy: -31.565
Base-Backbone interact. energy: -0.010
local terms energy: -50.201617
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -7.458
tors. eta vs tors. theta energy: -2.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -72.682128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.682128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.682128 (E_RNA)
where:
Base-Base interactions energy: -25.012
where: short stacking energy: -22.913
Base-Backbone interact. energy: -0.031
local terms energy: -47.638485
where:
bonds (distance) C4'-P energy: -6.891
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -3.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -180.828004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.828004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.828004 (E_RNA)
where:
Base-Base interactions energy: -106.758
where: short stacking energy: -64.595
Base-Backbone interact. energy: -0.273
local terms energy: -73.797281
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -19.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -189.976352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.976352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.976352 (E_RNA)
where:
Base-Base interactions energy: -115.037
where: short stacking energy: -67.984
Base-Backbone interact. energy: -0.064
local terms energy: -74.874914
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -11.170
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -19.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -169.726169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.726169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.726169 (E_RNA)
where:
Base-Base interactions energy: -102.030
where: short stacking energy: -52.110
Base-Backbone interact. energy: -0.002
local terms energy: -67.694518
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -13.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -181.104933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.104933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.104933 (E_RNA)
where:
Base-Base interactions energy: -113.585
where: short stacking energy: -59.033
Base-Backbone interact. energy: -0.025
local terms energy: -67.495154
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -13.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -161.879200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.879200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.879200 (E_RNA)
where:
Base-Base interactions energy: -91.917
where: short stacking energy: -54.428
Base-Backbone interact. energy: 2.943
local terms energy: -72.904627
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -14.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -124.562450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.562450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.562450 (E_RNA)
where:
Base-Base interactions energy: -81.564
where: short stacking energy: -39.358
Base-Backbone interact. energy: 0.976
local terms energy: -43.974326
where:
bonds (distance) C4'-P energy: -7.141
bonds (distance) P-C4' energy: -16.187
flat angles C4'-P-C4' energy: -9.665
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -2.678
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: 1
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -133.287402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.287402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.287402 (E_RNA)
where:
Base-Base interactions energy: -81.033
where: short stacking energy: -42.534
Base-Backbone interact. energy: 0.265
local terms energy: -52.520293
where:
bonds (distance) C4'-P energy: -8.252
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -9.010
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: 8, replica: 9
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -84.287215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.287215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.287215 (E_RNA)
where:
Base-Base interactions energy: -31.905
where: short stacking energy: -31.940
Base-Backbone interact. energy: -0.477
local terms energy: -51.905794
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -5.347
tors. eta vs tors. theta energy: -4.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -100.760316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.760316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.760316 (E_RNA)
where:
Base-Base interactions energy: -56.903
where: short stacking energy: -30.553
Base-Backbone interact. energy: 0.454
local terms energy: -44.310595
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -4.926
flat angles P-C4'-P energy: -6.314
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: 4
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -79.910504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.910504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.910504 (E_RNA)
where:
Base-Base interactions energy: -27.048
where: short stacking energy: -24.062
Base-Backbone interact. energy: 0.373
local terms energy: -53.236045
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -10.070
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -192.982425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.982425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.982425 (E_RNA)
where:
Base-Base interactions energy: -123.067
where: short stacking energy: -58.061
Base-Backbone interact. energy: -0.043
local terms energy: -69.873285
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -6.947
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -20.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -183.470312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.470312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.470312 (E_RNA)
where:
Base-Base interactions energy: -110.575
where: short stacking energy: -57.048
Base-Backbone interact. energy: -0.001
local terms energy: -72.894928
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -17.631
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: 3, replica: 5
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -186.530285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.530285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.530285 (E_RNA)
where:
Base-Base interactions energy: -112.616
where: short stacking energy: -64.545
Base-Backbone interact. energy: -0.091
local terms energy: -73.822554
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -18.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -182.734948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.734948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.734948 (E_RNA)
where:
Base-Base interactions energy: -112.364
where: short stacking energy: -59.570
Base-Backbone interact. energy: -0.220
local terms energy: -70.150617
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -17.203
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: 2
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -162.569535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.569535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.569535 (E_RNA)
where:
Base-Base interactions energy: -94.884
where: short stacking energy: -53.785
Base-Backbone interact. energy: -0.002
local terms energy: -67.683273
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -10.147
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: -15.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -158.924532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.924532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.924532 (E_RNA)
where:
Base-Base interactions energy: -92.161
where: short stacking energy: -48.670
Base-Backbone interact. energy: -0.006
local terms energy: -66.757625
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: -14.606
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: 9
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -88.421629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.421629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.421629 (E_RNA)
where:
Base-Base interactions energy: -35.056
where: short stacking energy: -35.056
Base-Backbone interact. energy: -0.191
local terms energy: -53.175007
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -10.646
flat angles P-C4'-P energy: -8.128
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: 8, replica: 1
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -153.154895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.154895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.154895 (E_RNA)
where:
Base-Base interactions energy: -98.960
where: short stacking energy: -52.939
Base-Backbone interact. energy: -0.202
local terms energy: -53.993329
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -10.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -78.275151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.275151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.275151 (E_RNA)
where:
Base-Base interactions energy: -26.802
where: short stacking energy: -26.802
Base-Backbone interact. energy: 0.443
local terms energy: -51.915913
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -3.492
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: 6
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -77.659318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.659318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.659318 (E_RNA)
where:
Base-Base interactions energy: -19.182
where: short stacking energy: -18.455
Base-Backbone interact. energy: -0.561
local terms energy: -57.916764
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -11.602
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -4.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -199.729435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.729435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.729435 (E_RNA)
where:
Base-Base interactions energy: -121.611
where: short stacking energy: -70.449
Base-Backbone interact. energy: -0.001
local terms energy: -78.117416
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -21.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -196.118701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.118701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.118701 (E_RNA)
where:
Base-Base interactions energy: -125.294
where: short stacking energy: -70.546
Base-Backbone interact. energy: -0.332
local terms energy: -70.492281
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -15.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -182.593853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.593853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.593853 (E_RNA)
where:
Base-Base interactions energy: -111.555
where: short stacking energy: -59.175
Base-Backbone interact. energy: -0.000
local terms energy: -71.038764
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -5.248
tors. eta vs tors. theta energy: -20.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -165.282004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.282004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.282004 (E_RNA)
where:
Base-Base interactions energy: -104.888
where: short stacking energy: -58.234
Base-Backbone interact. energy: -0.034
local terms energy: -60.359963
where:
bonds (distance) C4'-P energy: -9.584
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -17.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -164.541908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.541908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.541908 (E_RNA)
where:
Base-Base interactions energy: -96.143
where: short stacking energy: -48.904
Base-Backbone interact. energy: -0.005
local terms energy: -68.394174
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -13.306
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: 8
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -163.858858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.858858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.858858 (E_RNA)
where:
Base-Base interactions energy: -100.891
where: short stacking energy: -53.840
Base-Backbone interact. energy: -0.689
local terms energy: -62.279183
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -11.204
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: 9
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -91.937015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.937015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.937015 (E_RNA)
where:
Base-Base interactions energy: -32.037
where: short stacking energy: -32.037
Base-Backbone interact. energy: -0.229
local terms energy: -59.671864
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -8.191
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: 1
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -138.011035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.011035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.011035 (E_RNA)
where:
Base-Base interactions energy: -87.870
where: short stacking energy: -38.102
Base-Backbone interact. energy: -0.300
local terms energy: -49.841007
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -7.682
flat angles P-C4'-P energy: -5.715
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: 9, replica: 4
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -89.189585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.189585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.189585 (E_RNA)
where:
Base-Base interactions energy: -30.985
where: short stacking energy: -30.985
Base-Backbone interact. energy: -0.018
local terms energy: -58.187325
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -4.136
tors. eta vs tors. theta energy: -9.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -80.032937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.032937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.032937 (E_RNA)
where:
Base-Base interactions energy: -30.295
where: short stacking energy: -30.090
Base-Backbone interact. energy: -0.011
local terms energy: -49.727516
where:
bonds (distance) C4'-P energy: -7.772
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -197.907930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.907930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.907930 (E_RNA)
where:
Base-Base interactions energy: -120.485
where: short stacking energy: -64.230
Base-Backbone interact. energy: -0.003
local terms energy: -77.420318
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -16.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -177.311943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.311943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.311943 (E_RNA)
where:
Base-Base interactions energy: -111.879
where: short stacking energy: -56.895
Base-Backbone interact. energy: -0.131
local terms energy: -65.301982
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -11.354
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -13.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -177.908567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.908567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.908567 (E_RNA)
where:
Base-Base interactions energy: -108.710
where: short stacking energy: -51.248
Base-Backbone interact. energy: -0.856
local terms energy: -68.343009
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -10.983
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: 4, replica: 2
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -164.963813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.963813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.963813 (E_RNA)
where:
Base-Base interactions energy: -99.625
where: short stacking energy: -53.815
Base-Backbone interact. energy: -0.770
local terms energy: -64.569318
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -9.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -160.335897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.335897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.335897 (E_RNA)
where:
Base-Base interactions energy: -100.077
where: short stacking energy: -53.185
Base-Backbone interact. energy: -0.011
local terms energy: -60.247341
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -9.369
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: 8
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -137.999427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.999427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.999427 (E_RNA)
where:
Base-Base interactions energy: -76.798
where: short stacking energy: -46.520
Base-Backbone interact. energy: -0.550
local terms energy: -60.651453
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -14.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -101.243606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.243606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.243606 (E_RNA)
where:
Base-Base interactions energy: -47.030
where: short stacking energy: -34.282
Base-Backbone interact. energy: 0.243
local terms energy: -54.456692
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -4.629
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: 1
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -74.693135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.693135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.693135 (E_RNA)
where:
Base-Base interactions energy: -22.826
where: short stacking energy: -22.826
Base-Backbone interact. energy: -0.217
local terms energy: -51.649503
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -0.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -73.985786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.985786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.985786 (E_RNA)
where:
Base-Base interactions energy: -27.865
where: short stacking energy: -27.865
Base-Backbone interact. energy: -0.184
local terms energy: -45.937333
where:
bonds (distance) C4'-P energy: -7.636
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -2.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -77.222841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.222841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.222841 (E_RNA)
where:
Base-Base interactions energy: -31.477
where: short stacking energy: -23.393
Base-Backbone interact. energy: -1.137
local terms energy: -44.608370
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -10.525
flat angles P-C4'-P energy: -5.192
tors. eta vs tors. theta energy: -2.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -212.944100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.944100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.944100 (E_RNA)
where:
Base-Base interactions energy: -136.748
where: short stacking energy: -68.622
Base-Backbone interact. energy: -0.292
local terms energy: -75.903399
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -17.727
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -17.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -185.451108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.451108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.451108 (E_RNA)
where:
Base-Base interactions energy: -113.079
where: short stacking energy: -60.243
Base-Backbone interact. energy: -0.785
local terms energy: -71.587605
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -18.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -186.438130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.438130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.438130 (E_RNA)
where:
Base-Base interactions energy: -114.022
where: short stacking energy: -57.963
Base-Backbone interact. energy: -0.672
local terms energy: -71.743488
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -16.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -178.413089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.413089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.413089 (E_RNA)
where:
Base-Base interactions energy: -107.257
where: short stacking energy: -55.427
Base-Backbone interact. energy: -0.240
local terms energy: -70.916171
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -17.652
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: 10
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -147.614081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.614081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.614081 (E_RNA)
where:
Base-Base interactions energy: -83.088
where: short stacking energy: -42.722
Base-Backbone interact. energy: -0.421
local terms energy: -64.105214
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -8.551
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: 6, replica: 8
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -145.000377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.000377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.000377 (E_RNA)
where:
Base-Base interactions energy: -88.853
where: short stacking energy: -42.013
Base-Backbone interact. energy: -0.089
local terms energy: -56.058980
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -9.111
flat angles P-C4'-P energy: -3.657
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: 7, replica: 9
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -119.456713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.456713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.456713 (E_RNA)
where:
Base-Base interactions energy: -77.000
where: short stacking energy: -37.360
Base-Backbone interact. energy: -0.268
local terms energy: -42.188355
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -8.484
flat angles P-C4'-P energy: -6.928
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: 8, replica: 6
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -92.017084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.017084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.017084 (E_RNA)
where:
Base-Base interactions energy: -35.501
where: short stacking energy: -31.376
Base-Backbone interact. energy: 1.110
local terms energy: -57.625544
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -0.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -81.053149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.053149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.053149 (E_RNA)
where:
Base-Base interactions energy: -30.363
where: short stacking energy: -30.218
Base-Backbone interact. energy: -0.123
local terms energy: -50.567214
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -3.232
tors. eta vs tors. theta energy: -3.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -70.468113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.468113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.468113 (E_RNA)
where:
Base-Base interactions energy: -27.654
where: short stacking energy: -16.092
Base-Backbone interact. energy: 0.165
local terms energy: -42.979383
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: 1.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -212.378717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.378717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.378717 (E_RNA)
where:
Base-Base interactions energy: -134.842
where: short stacking energy: -58.462
Base-Backbone interact. energy: -0.116
local terms energy: -77.420509
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -19.051
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -14.486
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: 390
Temperature: 0.950000
Total energy: -185.822650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.822650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.822650 (E_RNA)
where:
Base-Base interactions energy: -111.004
where: short stacking energy: -64.696
Base-Backbone interact. energy: -0.182
local terms energy: -74.636733
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -15.241
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: 2
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -178.174772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.174772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.174772 (E_RNA)
where:
Base-Base interactions energy: -106.929
where: short stacking energy: -55.957
Base-Backbone interact. energy: -0.652
local terms energy: -70.593385
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -18.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -187.032539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.032539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.032539 (E_RNA)
where:
Base-Base interactions energy: -116.783
where: short stacking energy: -60.738
Base-Backbone interact. energy: -1.202
local terms energy: -69.047574
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -16.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -166.248776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.248776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.248776 (E_RNA)
where:
Base-Base interactions energy: -91.919
where: short stacking energy: -57.740
Base-Backbone interact. energy: -0.420
local terms energy: -73.909590
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -16.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -145.436748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.436748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.436748 (E_RNA)
where:
Base-Base interactions energy: -91.717
where: short stacking energy: -48.160
Base-Backbone interact. energy: -0.131
local terms energy: -53.588174
where:
bonds (distance) C4'-P energy: -13.819
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -2.468
tors. eta vs tors. theta energy: -8.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -93.326700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.326700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.326700 (E_RNA)
where:
Base-Base interactions energy: -36.861
where: short stacking energy: -29.861
Base-Backbone interact. energy: 0.295
local terms energy: -56.760842
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -12.633
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -7.428
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: 8, replica: 9
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -109.606748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.606748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.606748 (E_RNA)
where:
Base-Base interactions energy: -60.555
where: short stacking energy: -24.879
Base-Backbone interact. energy: -0.306
local terms energy: -48.746356
where:
bonds (distance) C4'-P energy: -9.205
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -8.926
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: 9, replica: 1
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -83.097415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.097415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.097415 (E_RNA)
where:
Base-Base interactions energy: -35.808
where: short stacking energy: -22.501
Base-Backbone interact. energy: 0.691
local terms energy: -47.980037
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -9.958
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: 2.091
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: 4
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -83.702600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.702600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.702600 (E_RNA)
where:
Base-Base interactions energy: -35.381
where: short stacking energy: -31.185
Base-Backbone interact. energy: -0.030
local terms energy: -48.291184
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -6.182
tors. eta vs tors. theta energy: -1.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -215.784169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.784169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.784169 (E_RNA)
where:
Base-Base interactions energy: -138.946
where: short stacking energy: -66.828
Base-Backbone interact. energy: -0.692
local terms energy: -76.145786
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -19.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -185.946846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.946846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.946846 (E_RNA)
where:
Base-Base interactions energy: -108.792
where: short stacking energy: -61.673
Base-Backbone interact. energy: -0.247
local terms energy: -76.907392
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -18.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -171.121164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.121164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.121164 (E_RNA)
where:
Base-Base interactions energy: -101.810
where: short stacking energy: -55.070
Base-Backbone interact. energy: -0.831
local terms energy: -68.479871
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -12.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -180.809671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.809671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.809671 (E_RNA)
where:
Base-Base interactions energy: -118.905
where: short stacking energy: -61.636
Base-Backbone interact. energy: -0.055
local terms energy: -61.849969
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -10.833
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -14.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -154.588655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.588655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.588655 (E_RNA)
where:
Base-Base interactions energy: -90.567
where: short stacking energy: -44.307
Base-Backbone interact. energy: -0.052
local terms energy: -63.969783
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -13.249
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: 10
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -138.669654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.669654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.669654 (E_RNA)
where:
Base-Base interactions energy: -78.164
where: short stacking energy: -49.614
Base-Backbone interact. energy: -0.836
local terms energy: -59.669250
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -11.852
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: 391
Temperature: 1.200000
Total energy: -100.040553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.040553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.040553 (E_RNA)
where:
Base-Base interactions energy: -36.353
where: short stacking energy: -36.353
Base-Backbone interact. energy: -0.027
local terms energy: -63.660106
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -5.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -84.020264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.020264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.020264 (E_RNA)
where:
Base-Base interactions energy: -32.048
where: short stacking energy: -31.468
Base-Backbone interact. energy: -0.219
local terms energy: -51.753760
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -5.024
tors. eta vs tors. theta energy: -7.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -86.223150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.223150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.223150 (E_RNA)
where:
Base-Base interactions energy: -39.762
where: short stacking energy: -27.572
Base-Backbone interact. energy: -0.156
local terms energy: -46.305512
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: 1.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -78.227554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.227554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.227554 (E_RNA)
where:
Base-Base interactions energy: -33.325
where: short stacking energy: -24.524
Base-Backbone interact. energy: -0.004
local terms energy: -44.898290
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -12.241
flat angles C4'-P-C4' energy: -8.340
flat angles P-C4'-P energy: -6.060
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: 1, replica: 5
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -214.414467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.414467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.414467 (E_RNA)
where:
Base-Base interactions energy: -141.219
where: short stacking energy: -70.160
Base-Backbone interact. energy: 0.016
local terms energy: -73.211637
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -18.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -179.212203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.212203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.212203 (E_RNA)
where:
Base-Base interactions energy: -107.185
where: short stacking energy: -56.874
Base-Backbone interact. energy: -0.147
local terms energy: -71.879935
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -13.615
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: 3, replica: 7
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -187.737763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.737763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.737763 (E_RNA)
where:
Base-Base interactions energy: -107.143
where: short stacking energy: -60.951
Base-Backbone interact. energy: -0.414
local terms energy: -80.180528
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -18.946
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -17.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -162.060234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.060234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.060234 (E_RNA)
where:
Base-Base interactions energy: -98.762
where: short stacking energy: -51.241
Base-Backbone interact. energy: -0.034
local terms energy: -63.263786
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -13.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -143.325090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.325090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.325090 (E_RNA)
where:
Base-Base interactions energy: -83.546
where: short stacking energy: -52.961
Base-Backbone interact. energy: -0.039
local terms energy: -59.740162
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -10.368
flat angles P-C4'-P energy: -4.958
tors. eta vs tors. theta energy: -13.526
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: 8
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -127.989048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.989048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.989048 (E_RNA)
where:
Base-Base interactions energy: -76.005
where: short stacking energy: -35.337
Base-Backbone interact. energy: -0.114
local terms energy: -51.870561
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -11.151
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -4.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -89.921827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.921827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.921827 (E_RNA)
where:
Base-Base interactions energy: -41.090
where: short stacking energy: -36.294
Base-Backbone interact. energy: -0.012
local terms energy: -48.819838
where:
bonds (distance) C4'-P energy: -7.734
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -9.233
flat angles P-C4'-P energy: -10.670
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: 8, replica: 6
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -84.853514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.853514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.853514 (E_RNA)
where:
Base-Base interactions energy: -29.700
where: short stacking energy: -23.214
Base-Backbone interact. energy: -0.001
local terms energy: -55.152313
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -10.732
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -7.359
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: 4
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -72.124625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.124625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.124625 (E_RNA)
where:
Base-Base interactions energy: -19.761
where: short stacking energy: -17.541
Base-Backbone interact. energy: 0.223
local terms energy: -52.587276
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -5.589
tors. eta vs tors. theta energy: -3.986
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: 392
Temperature: 1.350000
Total energy: -108.536414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.536414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.536414 (E_RNA)
where:
Base-Base interactions energy: -58.356
where: short stacking energy: -28.880
Base-Backbone interact. energy: -0.064
local terms energy: -50.116470
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: -2.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -207.207663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.207663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.207663 (E_RNA)
where:
Base-Base interactions energy: -133.905
where: short stacking energy: -61.558
Base-Backbone interact. energy: -1.035
local terms energy: -72.267702
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -15.326
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: 2
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -182.369931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.369931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.369931 (E_RNA)
where:
Base-Base interactions energy: -102.207
where: short stacking energy: -54.298
Base-Backbone interact. energy: -0.125
local terms energy: -80.037421
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -15.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -190.223620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.223620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.223620 (E_RNA)
where:
Base-Base interactions energy: -116.689
where: short stacking energy: -57.702
Base-Backbone interact. energy: -0.048
local terms energy: -73.486436
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -15.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -174.263412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.263412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.263412 (E_RNA)
where:
Base-Base interactions energy: -110.963
where: short stacking energy: -58.230
Base-Backbone interact. energy: -0.305
local terms energy: -62.995181
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -5.384
tors. eta vs tors. theta energy: -15.808
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: 10
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -152.748109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.748109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.748109 (E_RNA)
where:
Base-Base interactions energy: -83.893
where: short stacking energy: -54.292
Base-Backbone interact. energy: -0.004
local terms energy: -68.851455
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -12.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -133.397168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.397168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.397168 (E_RNA)
where:
Base-Base interactions energy: -67.950
where: short stacking energy: -40.618
Base-Backbone interact. energy: 0.453
local terms energy: -65.900843
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -13.007
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: 7, replica: 1
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -83.264787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.264787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.264787 (E_RNA)
where:
Base-Base interactions energy: -30.367
where: short stacking energy: -30.367
Base-Backbone interact. energy: 0.416
local terms energy: -53.314693
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -4.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -78.318378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.318378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.318378 (E_RNA)
where:
Base-Base interactions energy: -22.028
where: short stacking energy: -15.776
Base-Backbone interact. energy: -0.531
local terms energy: -55.758951
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -2.867
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: 6
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -72.880183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.880183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.880183 (E_RNA)
where:
Base-Base interactions energy: -25.094
where: short stacking energy: -20.734
Base-Backbone interact. energy: -0.073
local terms energy: -47.713008
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -6.081
tors. eta vs tors. theta energy: -0.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -84.121766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.121766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.121766 (E_RNA)
where:
Base-Base interactions energy: -36.447
where: short stacking energy: -27.449
Base-Backbone interact. energy: -0.481
local terms energy: -47.193639
where:
bonds (distance) C4'-P energy: -10.019
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -3.459
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: 5
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -210.258523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.258523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.258523 (E_RNA)
where:
Base-Base interactions energy: -134.064
where: short stacking energy: -57.966
Base-Backbone interact. energy: -0.232
local terms energy: -75.962477
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -16.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -170.160875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.160875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.160875 (E_RNA)
where:
Base-Base interactions energy: -105.261
where: short stacking energy: -46.945
Base-Backbone interact. energy: -0.042
local terms energy: -64.857966
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -11.833
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -12.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -176.796308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.796308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.796308 (E_RNA)
where:
Base-Base interactions energy: -113.911
where: short stacking energy: -58.468
Base-Backbone interact. energy: -0.228
local terms energy: -62.657440
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -12.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -180.726848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.726848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.726848 (E_RNA)
where:
Base-Base interactions energy: -108.701
where: short stacking energy: -61.781
Base-Backbone interact. energy: -3.197
local terms energy: -68.829426
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -17.849
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: 5, replica: 8
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -138.904749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.904749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.904749 (E_RNA)
where:
Base-Base interactions energy: -80.142
where: short stacking energy: -47.745
Base-Backbone interact. energy: -0.014
local terms energy: -58.749043
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -8.588
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -12.010
tors. eta vs tors. theta energy: -10.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -148.525919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.525919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.525919 (E_RNA)
where:
Base-Base interactions energy: -82.149
where: short stacking energy: -50.209
Base-Backbone interact. energy: -2.973
local terms energy: -63.403636
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -15.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -85.919727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.919727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.919727 (E_RNA)
where:
Base-Base interactions energy: -31.419
where: short stacking energy: -31.419
Base-Backbone interact. energy: -0.134
local terms energy: -54.367059
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -5.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -81.072301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.072301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.072301 (E_RNA)
where:
Base-Base interactions energy: -32.676
where: short stacking energy: -19.954
Base-Backbone interact. energy: -1.181
local terms energy: -47.214735
where:
bonds (distance) C4'-P energy: -9.408
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -3.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -93.920221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.920221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.920221 (E_RNA)
where:
Base-Base interactions energy: -43.115
where: short stacking energy: -32.385
Base-Backbone interact. energy: -0.005
local terms energy: -50.800053
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -10.794
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: -9.530
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: 10, replica: 6
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -74.528281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.528281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.528281 (E_RNA)
where:
Base-Base interactions energy: -30.049
where: short stacking energy: -21.862
Base-Backbone interact. energy: -0.130
local terms energy: -44.349410
where:
bonds (distance) C4'-P energy: -11.575
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -8.746
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -0.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -201.158649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.158649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.158649 (E_RNA)
where:
Base-Base interactions energy: -123.599
where: short stacking energy: -62.263
Base-Backbone interact. energy: -0.001
local terms energy: -77.558362
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -20.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -175.855753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.855753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.855753 (E_RNA)
where:
Base-Base interactions energy: -103.943
where: short stacking energy: -57.206
Base-Backbone interact. energy: -0.091
local terms energy: -71.821201
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -9.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -173.382611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.382611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.382611 (E_RNA)
where:
Base-Base interactions energy: -106.218
where: short stacking energy: -52.770
Base-Backbone interact. energy: -0.672
local terms energy: -66.492926
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -12.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -151.837457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.837457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.837457 (E_RNA)
where:
Base-Base interactions energy: -92.766
where: short stacking energy: -54.536
Base-Backbone interact. energy: -0.335
local terms energy: -58.737169
where:
bonds (distance) C4'-P energy: -7.992
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -11.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -168.236205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.236205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.236205 (E_RNA)
where:
Base-Base interactions energy: -101.110
where: short stacking energy: -52.420
Base-Backbone interact. energy: 0.080
local terms energy: -67.205729
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -15.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -104.643034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.643034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.643034 (E_RNA)
where:
Base-Base interactions energy: -47.781
where: short stacking energy: -40.322
Base-Backbone interact. energy: 0.012
local terms energy: -56.873477
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -7.760
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: 7, replica: 10
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -140.528498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.528498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.528498 (E_RNA)
where:
Base-Base interactions energy: -79.373
where: short stacking energy: -43.575
Base-Backbone interact. energy: -0.272
local terms energy: -60.883275
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -12.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -78.007824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.007824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.007824 (E_RNA)
where:
Base-Base interactions energy: -31.300
where: short stacking energy: -31.300
Base-Backbone interact. energy: -0.288
local terms energy: -46.419898
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -9.396
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: 9, replica: 4
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -77.805258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.805258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.805258 (E_RNA)
where:
Base-Base interactions energy: -33.425
where: short stacking energy: -23.136
Base-Backbone interact. energy: 2.517
local terms energy: -46.897111
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -10.940
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: 1.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -69.392644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.392644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.392644 (E_RNA)
where:
Base-Base interactions energy: -16.948
where: short stacking energy: -16.948
Base-Backbone interact. energy: -0.426
local terms energy: -52.018688
where:
bonds (distance) C4'-P energy: -8.973
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -4.698
tors. eta vs tors. theta energy: -2.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -224.428563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.428563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.428563 (E_RNA)
where:
Base-Base interactions energy: -137.869
where: short stacking energy: -63.086
Base-Backbone interact. energy: -0.684
local terms energy: -85.875661
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -13.016
tors. eta vs tors. theta energy: -20.657
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: 3
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -172.411942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.411942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.411942 (E_RNA)
where:
Base-Base interactions energy: -104.805
where: short stacking energy: -48.260
Base-Backbone interact. energy: -0.115
local terms energy: -67.492370
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -11.472
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: 8
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -161.471053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.471053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.471053 (E_RNA)
where:
Base-Base interactions energy: -97.672
where: short stacking energy: -45.298
Base-Backbone interact. energy: -0.214
local terms energy: -63.584661
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -5.449
tors. eta vs tors. theta energy: -11.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -169.625127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.625127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.625127 (E_RNA)
where:
Base-Base interactions energy: -103.994
where: short stacking energy: -58.896
Base-Backbone interact. energy: -0.057
local terms energy: -65.573707
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -11.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -159.989104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.989104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.989104 (E_RNA)
where:
Base-Base interactions energy: -95.869
where: short stacking energy: -49.885
Base-Backbone interact. energy: -1.148
local terms energy: -62.972441
where:
bonds (distance) C4'-P energy: -10.941
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -13.657
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: 1
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -94.307572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.307572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.307572 (E_RNA)
where:
Base-Base interactions energy: -37.529
where: short stacking energy: -37.529
Base-Backbone interact. energy: -0.226
local terms energy: -56.552886
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -3.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -135.022588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.022588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.022588 (E_RNA)
where:
Base-Base interactions energy: -74.792
where: short stacking energy: -40.700
Base-Backbone interact. energy: -0.365
local terms energy: -59.865933
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -14.073
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -8.576
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: 9
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -89.288946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.288946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.288946 (E_RNA)
where:
Base-Base interactions energy: -43.428
where: short stacking energy: -23.961
Base-Backbone interact. energy: -0.264
local terms energy: -45.596862
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -5.694
tors. eta vs tors. theta energy: 1.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -74.573883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.573883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.573883 (E_RNA)
where:
Base-Base interactions energy: -24.646
where: short stacking energy: -24.646
Base-Backbone interact. energy: -0.398
local terms energy: -49.529758
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -9.216
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -2.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -73.955763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.955763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.955763 (E_RNA)
where:
Base-Base interactions energy: -29.661
where: short stacking energy: -20.943
Base-Backbone interact. energy: -0.183
local terms energy: -44.111907
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: 5.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -216.433310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.433310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.433310 (E_RNA)
where:
Base-Base interactions energy: -142.875
where: short stacking energy: -65.794
Base-Backbone interact. energy: -0.103
local terms energy: -73.455607
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -15.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -180.220781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.220781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.220781 (E_RNA)
where:
Base-Base interactions energy: -108.170
where: short stacking energy: -63.158
Base-Backbone interact. energy: -0.001
local terms energy: -72.049585
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -17.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -175.226858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.226858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.226858 (E_RNA)
where:
Base-Base interactions energy: -114.936
where: short stacking energy: -59.232
Base-Backbone interact. energy: -0.108
local terms energy: -60.183473
where:
bonds (distance) C4'-P energy: -5.681
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -12.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -157.786657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.786657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.786657 (E_RNA)
where:
Base-Base interactions energy: -85.650
where: short stacking energy: -40.230
Base-Backbone interact. energy: -0.104
local terms energy: -72.032183
where:
bonds (distance) C4'-P energy: -17.089
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -10.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -166.454895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.454895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.454895 (E_RNA)
where:
Base-Base interactions energy: -96.803
where: short stacking energy: -52.098
Base-Backbone interact. energy: 1.912
local terms energy: -71.564122
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -12.023
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -15.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -145.471161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.471161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.471161 (E_RNA)
where:
Base-Base interactions energy: -86.033
where: short stacking energy: -54.322
Base-Backbone interact. energy: -0.167
local terms energy: -59.271464
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -4.298
tors. eta vs tors. theta energy: -12.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -91.155011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.155011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.155011 (E_RNA)
where:
Base-Base interactions energy: -40.891
where: short stacking energy: -40.891
Base-Backbone interact. energy: -0.093
local terms energy: -50.170645
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -8.822
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -7.745
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: 8, replica: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -80.411310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.411310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.411310 (E_RNA)
where:
Base-Base interactions energy: -31.392
where: short stacking energy: -30.452
Base-Backbone interact. energy: -0.020
local terms energy: -48.999644
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -9.034
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -2.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -80.805786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.805786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.805786 (E_RNA)
where:
Base-Base interactions energy: -26.804
where: short stacking energy: -22.503
Base-Backbone interact. energy: -0.846
local terms energy: -53.156294
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -2.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -77.013176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.013176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.013176 (E_RNA)
where:
Base-Base interactions energy: -25.375
where: short stacking energy: -23.535
Base-Backbone interact. energy: -0.241
local terms energy: -51.396508
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -8.798
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -1.282
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: 398
Temperature: 0.900000
Total energy: -222.195041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.195041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.195041 (E_RNA)
where:
Base-Base interactions energy: -143.596
where: short stacking energy: -65.762
Base-Backbone interact. energy: -0.195
local terms energy: -78.404376
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -22.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -181.096860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.096860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.096860 (E_RNA)
where:
Base-Base interactions energy: -108.267
where: short stacking energy: -51.402
Base-Backbone interact. energy: -0.082
local terms energy: -72.747817
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -14.872
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: 8
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -178.385280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.385280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.385280 (E_RNA)
where:
Base-Base interactions energy: -107.899
where: short stacking energy: -54.747
Base-Backbone interact. energy: -0.064
local terms energy: -70.421545
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -15.520
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: 7
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -164.137757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.137757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.137757 (E_RNA)
where:
Base-Base interactions energy: -94.690
where: short stacking energy: -60.312
Base-Backbone interact. energy: -0.001
local terms energy: -69.447482
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -11.176
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -16.002
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: 2
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -167.451933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.451933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.451933 (E_RNA)
where:
Base-Base interactions energy: -109.700
where: short stacking energy: -58.607
Base-Backbone interact. energy: -0.127
local terms energy: -57.625159
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -9.379
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -12.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -152.700542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.700542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.700542 (E_RNA)
where:
Base-Base interactions energy: -85.775
where: short stacking energy: -51.987
Base-Backbone interact. energy: -2.450
local terms energy: -64.475782
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -15.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -134.228419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.228419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.228419 (E_RNA)
where:
Base-Base interactions energy: -73.199
where: short stacking energy: -42.643
Base-Backbone interact. energy: 0.411
local terms energy: -61.440386
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -11.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -96.675235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.675235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.675235 (E_RNA)
where:
Base-Base interactions energy: -49.136
where: short stacking energy: -34.941
Base-Backbone interact. energy: -0.102
local terms energy: -47.436658
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -10.401
flat angles P-C4'-P energy: -2.972
tors. eta vs tors. theta energy: -5.539
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: 4
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -88.065655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.065655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.065655 (E_RNA)
where:
Base-Base interactions energy: -44.081
where: short stacking energy: -28.257
Base-Backbone interact. energy: -0.534
local terms energy: -43.450958
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -7.702
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -9.418
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: 10, replica: 9
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -90.242913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.242913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.242913 (E_RNA)
where:
Base-Base interactions energy: -34.502
where: short stacking energy: -34.502
Base-Backbone interact. energy: -0.023
local terms energy: -55.717869
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -4.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -207.577012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.577012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.577012 (E_RNA)
where:
Base-Base interactions energy: -132.223
where: short stacking energy: -63.400
Base-Backbone interact. energy: -0.158
local terms energy: -75.195362
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -17.137
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: 399
Temperature: 0.950000
Total energy: -180.507048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.507048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.507048 (E_RNA)
where:
Base-Base interactions energy: -109.059
where: short stacking energy: -60.115
Base-Backbone interact. energy: -0.001
local terms energy: -71.446939
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -15.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -183.405436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.405436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.405436 (E_RNA)
where:
Base-Base interactions energy: -103.571
where: short stacking energy: -66.555
Base-Backbone interact. energy: -0.008
local terms energy: -79.826270
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -18.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -176.480959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.480959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.480959 (E_RNA)
where:
Base-Base interactions energy: -111.193
where: short stacking energy: -62.064
Base-Backbone interact. energy: 0.699
local terms energy: -65.986361
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -10.676
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -16.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -141.258690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.258690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.258690 (E_RNA)
where:
Base-Base interactions energy: -81.693
where: short stacking energy: -46.782
Base-Backbone interact. energy: 0.590
local terms energy: -60.155438
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -10.427
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: 6, replica: 6
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -129.967822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.967822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.967822 (E_RNA)
where:
Base-Base interactions energy: -73.797
where: short stacking energy: -34.808
Base-Backbone interact. energy: -0.268
local terms energy: -55.903217
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -5.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -154.097568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.097568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.097568 (E_RNA)
where:
Base-Base interactions energy: -89.909
where: short stacking energy: -51.458
Base-Backbone interact. energy: -0.135
local terms energy: -64.053870
where:
bonds (distance) C4'-P energy: -8.496
bonds (distance) P-C4' energy: -11.403
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -16.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -92.470916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.470916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.470916 (E_RNA)
where:
Base-Base interactions energy: -41.923
where: short stacking energy: -41.923
Base-Backbone interact. energy: -0.020
local terms energy: -50.528250
where:
bonds (distance) C4'-P energy: -4.499
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -6.005
tors. eta vs tors. theta energy: -10.507
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: 1
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -90.817037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.817037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.817037 (E_RNA)
where:
Base-Base interactions energy: -47.563
where: short stacking energy: -40.510
Base-Backbone interact. energy: -0.034
local terms energy: -43.219551
where:
bonds (distance) C4'-P energy: -10.028
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -9.957
flat angles P-C4'-P energy: -2.302
tors. eta vs tors. theta energy: -5.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -68.794313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.794313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.794313 (E_RNA)
where:
Base-Base interactions energy: -17.617
where: short stacking energy: -12.828
Base-Backbone interact. energy: 0.137
local terms energy: -51.314280
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: 0.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -195.583276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.583276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.583276 (E_RNA)
where:
Base-Base interactions energy: -124.050
where: short stacking energy: -64.128
Base-Backbone interact. energy: -0.562
local terms energy: -70.971378
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -11.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -176.105830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.105830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.105830 (E_RNA)
where:
Base-Base interactions energy: -103.940
where: short stacking energy: -55.527
Base-Backbone interact. energy: -0.050
local terms energy: -72.116359
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -14.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -178.390787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.390787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.390787 (E_RNA)
where:
Base-Base interactions energy: -104.378
where: short stacking energy: -60.186
Base-Backbone interact. energy: -0.001
local terms energy: -74.012292
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -16.468
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -18.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -172.763413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.763413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.763413 (E_RNA)
where:
Base-Base interactions energy: -112.699
where: short stacking energy: -53.562
Base-Backbone interact. energy: -0.248
local terms energy: -59.816303
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -9.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -99.028803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.028803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.028803 (E_RNA)
where:
Base-Base interactions energy: -44.776
where: short stacking energy: -35.592
Base-Backbone interact. energy: -0.421
local terms energy: -53.831415
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -11.530
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -7.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -148.576165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.576165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.576165 (E_RNA)
where:
Base-Base interactions energy: -90.842
where: short stacking energy: -50.579
Base-Backbone interact. energy: -0.029
local terms energy: -57.704835
where:
bonds (distance) C4'-P energy: -10.261
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -11.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -102.849912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.849912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.849912 (E_RNA)
where:
Base-Base interactions energy: -44.561
where: short stacking energy: -42.915
Base-Backbone interact. energy: -0.041
local terms energy: -58.247551
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -7.687
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: 8, replica: 10
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -136.148456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.148456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.148456 (E_RNA)
where:
Base-Base interactions energy: -89.383
where: short stacking energy: -37.734
Base-Backbone interact. energy: -0.372
local terms energy: -46.394007
where:
bonds (distance) C4'-P energy: -9.781
bonds (distance) P-C4' energy: -10.334
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -2.620
tors. eta vs tors. theta energy: -10.168
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: 400
Temperature: 1.300000
Total energy: -81.706887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.706887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.706887 (E_RNA)
where:
Base-Base interactions energy: -33.173
where: short stacking energy: -33.273
Base-Backbone interact. energy: 0.581
local terms energy: -49.114201
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -12.766
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -7.001
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: 10, replica: 1
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -92.399369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.399369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.399369 (E_RNA)
where:
Base-Base interactions energy: -48.846
where: short stacking energy: -26.823
Base-Backbone interact. energy: -0.309
local terms energy: -43.244057
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -5.558
flat angles C4'-P-C4' energy: -11.074
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -198.910539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.910539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.910539 (E_RNA)
where:
Base-Base interactions energy: -128.737
where: short stacking energy: -71.217
Base-Backbone interact. energy: -0.084
local terms energy: -70.089126
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -15.595
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: 2
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -193.585002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.585002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.585002 (E_RNA)
where:
Base-Base interactions energy: -118.664
where: short stacking energy: -60.660
Base-Backbone interact. energy: 0.351
local terms energy: -75.271641
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -15.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -181.066939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.066939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.066939 (E_RNA)
where:
Base-Base interactions energy: -105.518
where: short stacking energy: -61.617
Base-Backbone interact. energy: -0.043
local terms energy: -75.505249
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -18.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -104.150242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.150242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.150242 (E_RNA)
where:
Base-Base interactions energy: -46.872
where: short stacking energy: -44.326
Base-Backbone interact. energy: -0.015
local terms energy: -57.263491
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -9.646
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: 5, replica: 8
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -163.138895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.138895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.138895 (E_RNA)
where:
Base-Base interactions energy: -100.024
where: short stacking energy: -51.692
Base-Backbone interact. energy: 1.179
local terms energy: -64.293480
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -10.845
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: 401
Temperature: 1.150000
Total energy: -163.251144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.251144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.251144 (E_RNA)
where:
Base-Base interactions energy: -100.434
where: short stacking energy: -60.375
Base-Backbone interact. energy: -0.002
local terms energy: -62.814383
where:
bonds (distance) C4'-P energy: -9.529
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -17.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -101.193897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.193897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.193897 (E_RNA)
where:
Base-Base interactions energy: -45.244
where: short stacking energy: -38.121
Base-Backbone interact. energy: -0.098
local terms energy: -55.851982
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -8.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -79.408350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.408350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.408350 (E_RNA)
where:
Base-Base interactions energy: -31.952
where: short stacking energy: -24.006
Base-Backbone interact. energy: 0.477
local terms energy: -47.933961
where:
bonds (distance) C4'-P energy: -8.314
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: 0.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -120.932224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.932224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.932224 (E_RNA)
where:
Base-Base interactions energy: -68.010
where: short stacking energy: -33.233
Base-Backbone interact. energy: -0.681
local terms energy: -52.241675
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -3.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -76.412869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.412869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.412869 (E_RNA)
where:
Base-Base interactions energy: -33.088
where: short stacking energy: -21.506
Base-Backbone interact. energy: -0.188
local terms energy: -43.137052
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -11.404
flat angles C4'-P-C4' energy: -10.074
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: 2.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -195.590825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.590825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.590825 (E_RNA)
where:
Base-Base interactions energy: -117.427
where: short stacking energy: -68.380
Base-Backbone interact. energy: -0.197
local terms energy: -77.967431
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -17.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -170.964163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.964163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.964163 (E_RNA)
where:
Base-Base interactions energy: -100.388
where: short stacking energy: -51.942
Base-Backbone interact. energy: -0.195
local terms energy: -70.380958
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -12.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -176.212443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.212443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.212443 (E_RNA)
where:
Base-Base interactions energy: -105.199
where: short stacking energy: -56.292
Base-Backbone interact. energy: -0.104
local terms energy: -70.909528
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -17.115
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: 4, replica: 6
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -130.252292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.252292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.252292 (E_RNA)
where:
Base-Base interactions energy: -73.212
where: short stacking energy: -37.593
Base-Backbone interact. energy: -0.460
local terms energy: -56.579710
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -5.063
tors. eta vs tors. theta energy: -7.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -155.213865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.213865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.213865 (E_RNA)
where:
Base-Base interactions energy: -96.102
where: short stacking energy: -49.245
Base-Backbone interact. energy: -0.090
local terms energy: -59.022062
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -10.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -170.797917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.797917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.797917 (E_RNA)
where:
Base-Base interactions energy: -103.621
where: short stacking energy: -51.373
Base-Backbone interact. energy: -0.038
local terms energy: -67.139170
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -12.375
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -12.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -88.287494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.287494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.287494 (E_RNA)
where:
Base-Base interactions energy: -37.113
where: short stacking energy: -33.432
Base-Backbone interact. energy: -0.163
local terms energy: -51.010915
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -10.961
flat angles P-C4'-P energy: 0.533
tors. eta vs tors. theta energy: -9.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -88.435636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.435636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.435636 (E_RNA)
where:
Base-Base interactions energy: -37.896
where: short stacking energy: -23.925
Base-Backbone interact. energy: -0.094
local terms energy: -50.445333
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -0.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -87.718445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.718445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.718445 (E_RNA)
where:
Base-Base interactions energy: -37.724
where: short stacking energy: -32.832
Base-Backbone interact. energy: 1.376
local terms energy: -51.370260
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -7.604
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -7.448
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: 402
Temperature: 1.350000
Total energy: -77.586712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.586712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.586712 (E_RNA)
where:
Base-Base interactions energy: -29.432
where: short stacking energy: -29.432
Base-Backbone interact. energy: -0.057
local terms energy: -48.097408
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -11.800
flat angles C4'-P-C4' energy: -11.351
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: -6.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -195.797772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.797772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.797772 (E_RNA)
where:
Base-Base interactions energy: -115.736
where: short stacking energy: -63.449
Base-Backbone interact. energy: -0.203
local terms energy: -79.858710
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -18.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -183.896688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.896688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.896688 (E_RNA)
where:
Base-Base interactions energy: -115.501
where: short stacking energy: -60.773
Base-Backbone interact. energy: -0.079
local terms energy: -68.316487
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -8.888
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: 3, replica: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -169.273457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.273457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.273457 (E_RNA)
where:
Base-Base interactions energy: -99.468
where: short stacking energy: -50.503
Base-Backbone interact. energy: -1.040
local terms energy: -68.764761
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -13.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -155.934512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.934512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.934512 (E_RNA)
where:
Base-Base interactions energy: -83.259
where: short stacking energy: -39.960
Base-Backbone interact. energy: 0.903
local terms energy: -73.578555
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -12.496
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: 6
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -148.543635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.543635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.543635 (E_RNA)
where:
Base-Base interactions energy: -93.992
where: short stacking energy: -41.185
Base-Backbone interact. energy: -0.261
local terms energy: -54.290589
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -4.997
tors. eta vs tors. theta energy: -7.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -149.647783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.647783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.647783 (E_RNA)
where:
Base-Base interactions energy: -81.459
where: short stacking energy: -48.160
Base-Backbone interact. energy: 0.813
local terms energy: -69.001133
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -11.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -89.312597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.312597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.312597 (E_RNA)
where:
Base-Base interactions energy: -35.949
where: short stacking energy: -35.949
Base-Backbone interact. energy: -0.071
local terms energy: -53.291927
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -5.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -85.640069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.640069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.640069 (E_RNA)
where:
Base-Base interactions energy: -32.889
where: short stacking energy: -32.889
Base-Backbone interact. energy: -0.024
local terms energy: -52.726231
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -6.407
tors. eta vs tors. theta energy: -7.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -84.561353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.561353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.561353 (E_RNA)
where:
Base-Base interactions energy: -29.745
where: short stacking energy: -23.277
Base-Backbone interact. energy: -0.019
local terms energy: -54.797307
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -9.524
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -6.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -76.904096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.904096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.904096 (E_RNA)
where:
Base-Base interactions energy: -25.998
where: short stacking energy: -25.998
Base-Backbone interact. energy: -0.460
local terms energy: -50.445740
where:
bonds (distance) C4'-P energy: -10.417
bonds (distance) P-C4' energy: -15.031
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -0.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -186.828519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.828519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.828519 (E_RNA)
where:
Base-Base interactions energy: -112.253
where: short stacking energy: -55.018
Base-Backbone interact. energy: -0.223
local terms energy: -74.352004
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -16.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -199.040034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.040034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.040034 (E_RNA)
where:
Base-Base interactions energy: -120.518
where: short stacking energy: -61.572
Base-Backbone interact. energy: -1.422
local terms energy: -77.099787
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -18.956
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -17.653
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: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -176.928473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.928473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.928473 (E_RNA)
where:
Base-Base interactions energy: -107.317
where: short stacking energy: -61.289
Base-Backbone interact. energy: -0.083
local terms energy: -69.528250
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: -14.128
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: 7
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -153.896913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.896913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.896913 (E_RNA)
where:
Base-Base interactions energy: -93.819
where: short stacking energy: -54.526
Base-Backbone interact. energy: -0.034
local terms energy: -60.043606
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -5.652
tors. eta vs tors. theta energy: -13.132
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: 8
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -161.140265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.140265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.140265 (E_RNA)
where:
Base-Base interactions energy: -93.083
where: short stacking energy: -53.035
Base-Backbone interact. energy: -0.117
local terms energy: -67.939725
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -14.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -131.044336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.044336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.044336 (E_RNA)
where:
Base-Base interactions energy: -77.604
where: short stacking energy: -34.556
Base-Backbone interact. energy: -0.983
local terms energy: -52.456851
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -0.404
tors. eta vs tors. theta energy: -5.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -82.993060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.993060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.993060 (E_RNA)
where:
Base-Base interactions energy: -37.040
where: short stacking energy: -29.522
Base-Backbone interact. energy: -0.238
local terms energy: -45.715519
where:
bonds (distance) C4'-P energy: -9.276
bonds (distance) P-C4' energy: -11.297
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -1.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -80.832243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.832243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.832243 (E_RNA)
where:
Base-Base interactions energy: -28.220
where: short stacking energy: -28.720
Base-Backbone interact. energy: -0.243
local terms energy: -52.369414
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -5.097
tors. eta vs tors. theta energy: -2.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -83.808557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.808557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.808557 (E_RNA)
where:
Base-Base interactions energy: -30.194
where: short stacking energy: -29.995
Base-Backbone interact. energy: -0.100
local terms energy: -53.515298
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -4.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -70.545827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.545827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.545827 (E_RNA)
where:
Base-Base interactions energy: -26.097
where: short stacking energy: -27.501
Base-Backbone interact. energy: -0.456
local terms energy: -43.992703
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -12.717
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -4.880
tors. eta vs tors. theta energy: 1.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -186.030725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.030725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.030725 (E_RNA)
where:
Base-Base interactions energy: -108.735
where: short stacking energy: -60.938
Base-Backbone interact. energy: -0.103
local terms energy: -77.192841
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -18.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -191.351351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.351351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.351351 (E_RNA)
where:
Base-Base interactions energy: -122.994
where: short stacking energy: -57.408
Base-Backbone interact. energy: -0.179
local terms energy: -68.178251
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -17.205
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: 2
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -169.346073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.346073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.346073 (E_RNA)
where:
Base-Base interactions energy: -105.730
where: short stacking energy: -55.171
Base-Backbone interact. energy: -0.063
local terms energy: -63.552915
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: -13.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -165.199239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.199239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.199239 (E_RNA)
where:
Base-Base interactions energy: -97.345
where: short stacking energy: -50.387
Base-Backbone interact. energy: -0.057
local terms energy: -67.796522
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -15.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -164.149362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.149362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.149362 (E_RNA)
where:
Base-Base interactions energy: -95.460
where: short stacking energy: -52.377
Base-Backbone interact. energy: -0.120
local terms energy: -68.569236
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -12.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -106.761668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.761668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.761668 (E_RNA)
where:
Base-Base interactions energy: -45.040
where: short stacking energy: -36.959
Base-Backbone interact. energy: -0.169
local terms energy: -61.552022
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -8.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -114.620412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.620412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.620412 (E_RNA)
where:
Base-Base interactions energy: -70.027
where: short stacking energy: -27.132
Base-Backbone interact. energy: -0.562
local terms energy: -44.031675
where:
bonds (distance) C4'-P energy: -10.901
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -3.753
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: 8, replica: 10
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -85.341106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.341106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.341106 (E_RNA)
where:
Base-Base interactions energy: -27.120
where: short stacking energy: -27.120
Base-Backbone interact. energy: -0.117
local terms energy: -58.104267
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -2.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -84.391617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.391617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.391617 (E_RNA)
where:
Base-Base interactions energy: -30.099
where: short stacking energy: -30.099
Base-Backbone interact. energy: -0.100
local terms energy: -54.192166
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -5.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -85.923078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.923078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.923078 (E_RNA)
where:
Base-Base interactions energy: -30.240
where: short stacking energy: -30.240
Base-Backbone interact. energy: 0.011
local terms energy: -55.694076
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -3.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -198.483776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.483776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.483776 (E_RNA)
where:
Base-Base interactions energy: -123.454
where: short stacking energy: -60.107
Base-Backbone interact. energy: -0.041
local terms energy: -74.988284
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -16.180
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: 406
Temperature: 0.950000
Total energy: -180.426456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.426456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.426456 (E_RNA)
where:
Base-Base interactions energy: -103.030
where: short stacking energy: -56.355
Base-Backbone interact. energy: -0.141
local terms energy: -77.255719
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -18.511
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -16.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -190.293744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.293744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.293744 (E_RNA)
where:
Base-Base interactions energy: -122.342
where: short stacking energy: -63.049
Base-Backbone interact. energy: 0.657
local terms energy: -68.608597
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: -19.696
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: 4, replica: 2
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -167.614850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.614850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.614850 (E_RNA)
where:
Base-Base interactions energy: -102.284
where: short stacking energy: -53.350
Base-Backbone interact. energy: -1.076
local terms energy: -64.254932
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -12.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -163.318697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.318697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.318697 (E_RNA)
where:
Base-Base interactions energy: -105.615
where: short stacking energy: -60.887
Base-Backbone interact. energy: -0.173
local terms energy: -57.530670
where:
bonds (distance) C4'-P energy: -9.467
bonds (distance) P-C4' energy: -8.977
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -16.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -88.861925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.861925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.861925 (E_RNA)
where:
Base-Base interactions energy: -39.927
where: short stacking energy: -31.766
Base-Backbone interact. energy: -0.030
local terms energy: -48.905292
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -10.919
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: 1.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -89.048424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.048424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.048424 (E_RNA)
where:
Base-Base interactions energy: -31.893
where: short stacking energy: -31.531
Base-Backbone interact. energy: -0.082
local terms energy: -57.073178
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -6.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -114.078680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.078680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.078680 (E_RNA)
where:
Base-Base interactions energy: -66.643
where: short stacking energy: -31.549
Base-Backbone interact. energy: -0.282
local terms energy: -47.153968
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -0.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -83.451157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.451157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.451157 (E_RNA)
where:
Base-Base interactions energy: -37.253
where: short stacking energy: -34.581
Base-Backbone interact. energy: -0.200
local terms energy: -45.997887
where:
bonds (distance) C4'-P energy: -9.242
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -7.088
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -4.435
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: 4
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -77.584970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.584970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.584970 (E_RNA)
where:
Base-Base interactions energy: -25.405
where: short stacking energy: -22.953
Base-Backbone interact. energy: -0.046
local terms energy: -52.133261
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -8.319
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -5.837
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: 5
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -191.837353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.837353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.837353 (E_RNA)
where:
Base-Base interactions energy: -113.272
where: short stacking energy: -60.526
Base-Backbone interact. energy: -0.360
local terms energy: -78.205624
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -18.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -184.398168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.398168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.398168 (E_RNA)
where:
Base-Base interactions energy: -111.993
where: short stacking energy: -59.110
Base-Backbone interact. energy: -0.185
local terms energy: -72.220243
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -15.120
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: 3
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -167.378582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.378582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.378582 (E_RNA)
where:
Base-Base interactions energy: -96.216
where: short stacking energy: -55.249
Base-Backbone interact. energy: -0.007
local terms energy: -71.155821
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -14.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -160.706521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.706521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.706521 (E_RNA)
where:
Base-Base interactions energy: -91.055
where: short stacking energy: -49.603
Base-Backbone interact. energy: -0.051
local terms energy: -69.600911
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -14.420
tors. eta vs tors. theta energy: -10.091
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: 407
Temperature: 1.100000
Total energy: -154.315287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.315287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.315287 (E_RNA)
where:
Base-Base interactions energy: -94.080
where: short stacking energy: -45.142
Base-Backbone interact. energy: -0.355
local terms energy: -59.879749
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -10.986
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -11.669
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: 10
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -94.491874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.491874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.491874 (E_RNA)
where:
Base-Base interactions energy: -33.714
where: short stacking energy: -32.202
Base-Backbone interact. energy: 0.957
local terms energy: -61.734583
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -9.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -100.870357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.870357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.870357 (E_RNA)
where:
Base-Base interactions energy: -44.886
where: short stacking energy: -44.886
Base-Backbone interact. energy: -0.108
local terms energy: -55.876475
where:
bonds (distance) C4'-P energy: -7.763
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -10.535
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: 8, replica: 6
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -140.024423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.024423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.024423 (E_RNA)
where:
Base-Base interactions energy: -82.057
where: short stacking energy: -43.409
Base-Backbone interact. energy: -0.053
local terms energy: -57.914233
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -6.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -85.587988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.587988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.587988 (E_RNA)
where:
Base-Base interactions energy: -43.397
where: short stacking energy: -27.992
Base-Backbone interact. energy: -1.310
local terms energy: -40.880788
where:
bonds (distance) C4'-P energy: -9.442
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: 2.252
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: 4
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -70.598857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.598857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.598857 (E_RNA)
where:
Base-Base interactions energy: -22.618
where: short stacking energy: -21.846
Base-Backbone interact. energy: -0.096
local terms energy: -47.885186
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -1.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -187.598089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.598089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.598089 (E_RNA)
where:
Base-Base interactions energy: -114.497
where: short stacking energy: -63.026
Base-Backbone interact. energy: -0.112
local terms energy: -72.989269
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -17.787
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: 5
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -189.153110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.153110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.153110 (E_RNA)
where:
Base-Base interactions energy: -118.526
where: short stacking energy: -57.892
Base-Backbone interact. energy: -0.162
local terms energy: -70.465200
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -14.314
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: 3
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -176.429140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.429140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.429140 (E_RNA)
where:
Base-Base interactions energy: -102.663
where: short stacking energy: -59.469
Base-Backbone interact. energy: -0.795
local terms energy: -72.970799
where:
bonds (distance) C4'-P energy: -10.644
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -18.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -184.342349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.342349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.342349 (E_RNA)
where:
Base-Base interactions energy: -109.218
where: short stacking energy: -66.249
Base-Backbone interact. energy: -0.319
local terms energy: -74.804747
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -20.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -162.536313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.536313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.536313 (E_RNA)
where:
Base-Base interactions energy: -94.246
where: short stacking energy: -47.517
Base-Backbone interact. energy: -0.421
local terms energy: -67.869143
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -12.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -97.173189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.173189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.173189 (E_RNA)
where:
Base-Base interactions energy: -43.340
where: short stacking energy: -26.330
Base-Backbone interact. energy: -0.076
local terms energy: -53.757335
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -12.692
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -6.577
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: 7, replica: 6
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -149.554710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.554710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.554710 (E_RNA)
where:
Base-Base interactions energy: -86.959
where: short stacking energy: -40.229
Base-Backbone interact. energy: -0.276
local terms energy: -62.319431
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -6.527
tors. eta vs tors. theta energy: -8.395
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: 8, replica: 1
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -109.958333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.958333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.958333 (E_RNA)
where:
Base-Base interactions energy: -56.826
where: short stacking energy: -38.838
Base-Backbone interact. energy: -0.138
local terms energy: -52.994115
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -9.786
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -8.244
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: 4
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -77.928612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.928612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.928612 (E_RNA)
where:
Base-Base interactions energy: -30.090
where: short stacking energy: -30.090
Base-Backbone interact. energy: -0.224
local terms energy: -47.614601
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -10.016
flat angles P-C4'-P energy: -5.124
tors. eta vs tors. theta energy: -2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -78.652447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.652447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.652447 (E_RNA)
where:
Base-Base interactions energy: -24.862
where: short stacking energy: -24.862
Base-Backbone interact. energy: -0.007
local terms energy: -53.783273
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -3.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -194.969706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.969706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.969706 (E_RNA)
where:
Base-Base interactions energy: -125.542
where: short stacking energy: -59.245
Base-Backbone interact. energy: -0.700
local terms energy: -68.727845
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -16.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -174.177637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.177637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.177637 (E_RNA)
where:
Base-Base interactions energy: -102.120
where: short stacking energy: -51.438
Base-Backbone interact. energy: -1.341
local terms energy: -70.716144
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -15.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -188.321630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.321630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.321630 (E_RNA)
where:
Base-Base interactions energy: -115.149
where: short stacking energy: -62.956
Base-Backbone interact. energy: -0.115
local terms energy: -73.057914
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -18.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -158.664439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.664439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.664439 (E_RNA)
where:
Base-Base interactions energy: -94.772
where: short stacking energy: -45.082
Base-Backbone interact. energy: -0.089
local terms energy: -63.802873
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -18.647
flat angles P-C4'-P energy: -4.488
tors. eta vs tors. theta energy: -11.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -170.903268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.903268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.903268 (E_RNA)
where:
Base-Base interactions energy: -108.253
where: short stacking energy: -56.885
Base-Backbone interact. energy: -0.031
local terms energy: -62.619503
where:
bonds (distance) C4'-P energy: -9.897
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -14.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -157.590258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.590258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.590258 (E_RNA)
where:
Base-Base interactions energy: -94.859
where: short stacking energy: -43.639
Base-Backbone interact. energy: -0.122
local terms energy: -62.609559
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -9.995
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -13.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -83.828275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.828275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.828275 (E_RNA)
where:
Base-Base interactions energy: -31.703
where: short stacking energy: -31.703
Base-Backbone interact. energy: -0.055
local terms energy: -52.070211
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -5.882
tors. eta vs tors. theta energy: 1.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -82.851953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.851953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.851953 (E_RNA)
where:
Base-Base interactions energy: -39.447
where: short stacking energy: -39.447
Base-Backbone interact. energy: -0.035
local terms energy: -43.369662
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: -2.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -84.134304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.134304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.134304 (E_RNA)
where:
Base-Base interactions energy: -31.925
where: short stacking energy: -31.925
Base-Backbone interact. energy: 1.165
local terms energy: -53.374346
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -9.779
flat angles P-C4'-P energy: -8.708
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: 10, replica: 9
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -77.429317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.429317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.429317 (E_RNA)
where:
Base-Base interactions energy: -29.535
where: short stacking energy: -27.894
Base-Backbone interact. energy: -0.290
local terms energy: -47.604667
where:
bonds (distance) C4'-P energy: -10.407
bonds (distance) P-C4' energy: -8.242
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -2.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -196.914142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.914142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.914142 (E_RNA)
where:
Base-Base interactions energy: -119.063
where: short stacking energy: -58.712
Base-Backbone interact. energy: -2.861
local terms energy: -74.990332
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -17.853
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: 3
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -188.107466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.107466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.107466 (E_RNA)
where:
Base-Base interactions energy: -109.369
where: short stacking energy: -60.703
Base-Backbone interact. energy: -0.214
local terms energy: -78.524293
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -19.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -192.819071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.819071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.819071 (E_RNA)
where:
Base-Base interactions energy: -119.952
where: short stacking energy: -63.070
Base-Backbone interact. energy: -0.139
local terms energy: -72.728319
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -5.531
tors. eta vs tors. theta energy: -20.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -177.356487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.356487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.356487 (E_RNA)
where:
Base-Base interactions energy: -109.866
where: short stacking energy: -55.731
Base-Backbone interact. energy: -0.179
local terms energy: -67.311254
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -15.626
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -12.145
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: 8
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -176.929891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.929891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.929891 (E_RNA)
where:
Base-Base interactions energy: -103.873
where: short stacking energy: -50.614
Base-Backbone interact. energy: -0.045
local terms energy: -73.011606
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -17.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -142.389012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.389012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.389012 (E_RNA)
where:
Base-Base interactions energy: -78.525
where: short stacking energy: -43.240
Base-Backbone interact. energy: -0.289
local terms energy: -63.575445
where:
bonds (distance) C4'-P energy: -10.665
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -13.533
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: 4
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -83.564239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.564239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.564239 (E_RNA)
where:
Base-Base interactions energy: -28.720
where: short stacking energy: -27.357
Base-Backbone interact. energy: -0.108
local terms energy: -54.735953
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -2.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -83.870627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.870627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.870627 (E_RNA)
where:
Base-Base interactions energy: -31.884
where: short stacking energy: -31.884
Base-Backbone interact. energy: 0.922
local terms energy: -52.907875
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -3.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -81.406002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.406002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.406002 (E_RNA)
where:
Base-Base interactions energy: -33.100
where: short stacking energy: -33.100
Base-Backbone interact. energy: -0.098
local terms energy: -48.208969
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: -2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -71.748633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.748633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.748633 (E_RNA)
where:
Base-Base interactions energy: -24.252
where: short stacking energy: -24.252
Base-Backbone interact. energy: -0.818
local terms energy: -46.678591
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -10.427
flat angles P-C4'-P energy: -5.835
tors. eta vs tors. theta energy: 0.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -192.179819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.179819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.179819 (E_RNA)
where:
Base-Base interactions energy: -118.209
where: short stacking energy: -65.082
Base-Backbone interact. energy: -0.002
local terms energy: -73.969199
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -18.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -188.686781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.686781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.686781 (E_RNA)
where:
Base-Base interactions energy: -113.196
where: short stacking energy: -65.468
Base-Backbone interact. energy: 0.588
local terms energy: -76.079304
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -21.150
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: 5
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -183.552341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.552341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.552341 (E_RNA)
where:
Base-Base interactions energy: -112.718
where: short stacking energy: -62.958
Base-Backbone interact. energy: -0.737
local terms energy: -70.097976
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -15.520
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: 8
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -184.262297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.262297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.262297 (E_RNA)
where:
Base-Base interactions energy: -114.401
where: short stacking energy: -62.569
Base-Backbone interact. energy: -0.042
local terms energy: -69.818506
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -19.309
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: 2
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -158.661722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.661722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.661722 (E_RNA)
where:
Base-Base interactions energy: -98.577
where: short stacking energy: -52.111
Base-Backbone interact. energy: -0.255
local terms energy: -59.830339
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -10.279
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -5.082
tors. eta vs tors. theta energy: -13.919
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: 6, replica: 6
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -142.871289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.871289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.871289 (E_RNA)
where:
Base-Base interactions energy: -79.807
where: short stacking energy: -46.895
Base-Backbone interact. energy: 1.606
local terms energy: -64.670276
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -10.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -81.284262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.284262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.284262 (E_RNA)
where:
Base-Base interactions energy: -31.237
where: short stacking energy: -26.881
Base-Backbone interact. energy: -0.264
local terms energy: -49.782698
where:
bonds (distance) C4'-P energy: -18.279
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -6.849
flat angles P-C4'-P energy: -9.520
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: 8, replica: 1
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -89.554118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.554118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.554118 (E_RNA)
where:
Base-Base interactions energy: -41.972
where: short stacking energy: -24.437
Base-Backbone interact. energy: -0.035
local terms energy: -47.547128
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -13.122
flat angles C4'-P-C4' energy: -8.793
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -1.640
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: 9, replica: 10
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -74.321369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.321369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.321369 (E_RNA)
where:
Base-Base interactions energy: -25.720
where: short stacking energy: -22.352
Base-Backbone interact. energy: -0.258
local terms energy: -48.343535
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -10.834
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -1.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -81.004452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.004452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.004452 (E_RNA)
where:
Base-Base interactions energy: -35.934
where: short stacking energy: -25.662
Base-Backbone interact. energy: -0.012
local terms energy: -45.057981
where:
bonds (distance) C4'-P energy: -10.413
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: 0.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -198.760037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.760037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.760037 (E_RNA)
where:
Base-Base interactions energy: -119.462
where: short stacking energy: -64.581
Base-Backbone interact. energy: -0.002
local terms energy: -79.295889
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -18.358
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: 3
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -182.825933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.825933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.825933 (E_RNA)
where:
Base-Base interactions energy: -114.630
where: short stacking energy: -62.184
Base-Backbone interact. energy: -0.058
local terms energy: -68.137122
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -12.325
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: 5
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -193.564561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.564561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.564561 (E_RNA)
where:
Base-Base interactions energy: -114.369
where: short stacking energy: -53.201
Base-Backbone interact. energy: -0.212
local terms energy: -78.984392
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -15.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -179.523556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.523556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.523556 (E_RNA)
where:
Base-Base interactions energy: -112.199
where: short stacking energy: -58.701
Base-Backbone interact. energy: -0.068
local terms energy: -67.255837
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -11.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -167.344786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.344786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.344786 (E_RNA)
where:
Base-Base interactions energy: -105.919
where: short stacking energy: -48.792
Base-Backbone interact. energy: -0.072
local terms energy: -61.353992
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -18.088
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -6.966
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: 6
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -128.320450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.320450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.320450 (E_RNA)
where:
Base-Base interactions energy: -72.977
where: short stacking energy: -35.569
Base-Backbone interact. energy: -0.016
local terms energy: -55.327387
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -9.928
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -7.696
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: 1
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -94.617206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.617206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.617206 (E_RNA)
where:
Base-Base interactions energy: -41.640
where: short stacking energy: -36.385
Base-Backbone interact. energy: -0.168
local terms energy: -52.809355
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -9.536
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -4.303
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: 8, replica: 4
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -80.731325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.731325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.731325 (E_RNA)
where:
Base-Base interactions energy: -30.937
where: short stacking energy: -30.710
Base-Backbone interact. energy: -0.017
local terms energy: -49.777954
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -7.809
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: 10
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -81.346979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.346979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.346979 (E_RNA)
where:
Base-Base interactions energy: -35.548
where: short stacking energy: -24.998
Base-Backbone interact. energy: -0.344
local terms energy: -45.454864
where:
bonds (distance) C4'-P energy: -8.044
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -2.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -78.868430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.868430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.868430 (E_RNA)
where:
Base-Base interactions energy: -30.232
where: short stacking energy: -25.015
Base-Backbone interact. energy: -0.135
local terms energy: -48.501347
where:
bonds (distance) C4'-P energy: -9.691
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -0.378
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: 1, replica: 7
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -192.888115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.888115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.888115 (E_RNA)
where:
Base-Base interactions energy: -117.765
where: short stacking energy: -62.091
Base-Backbone interact. energy: -0.054
local terms energy: -75.068741
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -17.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -196.940167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.940167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.940167 (E_RNA)
where:
Base-Base interactions energy: -120.638
where: short stacking energy: -59.354
Base-Backbone interact. energy: -0.671
local terms energy: -75.631202
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -17.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -172.713611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.713611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.713611 (E_RNA)
where:
Base-Base interactions energy: -101.014
where: short stacking energy: -58.475
Base-Backbone interact. energy: -0.100
local terms energy: -71.599544
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -18.685
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -14.153
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: 8
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -186.569697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.569697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.569697 (E_RNA)
where:
Base-Base interactions energy: -117.324
where: short stacking energy: -66.219
Base-Backbone interact. energy: -0.060
local terms energy: -69.185842
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -16.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -144.264291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.264291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.264291 (E_RNA)
where:
Base-Base interactions energy: -81.021
where: short stacking energy: -36.937
Base-Backbone interact. energy: -0.114
local terms energy: -63.129723
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -11.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -147.632909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.632909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.632909 (E_RNA)
where:
Base-Base interactions energy: -90.359
where: short stacking energy: -51.087
Base-Backbone interact. energy: -0.032
local terms energy: -57.241646
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -8.613
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: 1
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -91.893533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.893533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.893533 (E_RNA)
where:
Base-Base interactions energy: -35.123
where: short stacking energy: -35.123
Base-Backbone interact. energy: -0.602
local terms energy: -56.167942
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -10.364
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -5.549
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: 10
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -88.073083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.073083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.073083 (E_RNA)
where:
Base-Base interactions energy: -40.088
where: short stacking energy: -36.649
Base-Backbone interact. energy: -0.138
local terms energy: -47.847305
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -6.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -91.399640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.399640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.399640 (E_RNA)
where:
Base-Base interactions energy: -32.439
where: short stacking energy: -32.354
Base-Backbone interact. energy: 0.983
local terms energy: -59.944074
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -6.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -83.791788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.791788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.791788 (E_RNA)
where:
Base-Base interactions energy: -27.260
where: short stacking energy: -27.260
Base-Backbone interact. energy: 1.842
local terms energy: -58.373633
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -3.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -200.796386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.796386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.796386 (E_RNA)
where:
Base-Base interactions energy: -131.540
where: short stacking energy: -60.420
Base-Backbone interact. energy: -0.011
local terms energy: -69.245586
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -6.959
tors. eta vs tors. theta energy: -17.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -191.504056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.504056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.504056 (E_RNA)
where:
Base-Base interactions energy: -120.307
where: short stacking energy: -61.944
Base-Backbone interact. energy: -0.379
local terms energy: -70.817701
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -15.615
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -16.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -178.291435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.291435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.291435 (E_RNA)
where:
Base-Base interactions energy: -104.271
where: short stacking energy: -50.173
Base-Backbone interact. energy: -0.062
local terms energy: -73.958261
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -16.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -174.921657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.921657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.921657 (E_RNA)
where:
Base-Base interactions energy: -104.003
where: short stacking energy: -51.246
Base-Backbone interact. energy: -0.110
local terms energy: -70.808894
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -14.166
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: 414
Temperature: 1.100000
Total energy: -158.914311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.914311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.914311 (E_RNA)
where:
Base-Base interactions energy: -96.474
where: short stacking energy: -48.447
Base-Backbone interact. energy: -0.098
local terms energy: -62.341837
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -11.459
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: 6
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -123.768524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.768524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.768524 (E_RNA)
where:
Base-Base interactions energy: -69.555
where: short stacking energy: -39.257
Base-Backbone interact. energy: -0.093
local terms energy: -54.121233
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -8.375
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -8.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -83.920287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.920287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.920287 (E_RNA)
where:
Base-Base interactions energy: -28.138
where: short stacking energy: -26.136
Base-Backbone interact. energy: 0.729
local terms energy: -56.511898
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -4.254
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: 1
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -75.979082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.979082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.979082 (E_RNA)
where:
Base-Base interactions energy: -29.516
where: short stacking energy: -29.516
Base-Backbone interact. energy: -0.367
local terms energy: -46.095585
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -3.852
tors. eta vs tors. theta energy: -4.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -80.247478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.247478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.247478 (E_RNA)
where:
Base-Base interactions energy: -36.511
where: short stacking energy: -28.374
Base-Backbone interact. energy: -0.527
local terms energy: -43.209258
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: 0.689
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: 9
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -105.787534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.787534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.787534 (E_RNA)
where:
Base-Base interactions energy: -52.651
where: short stacking energy: -23.368
Base-Backbone interact. energy: -0.023
local terms energy: -53.114137
where:
bonds (distance) C4'-P energy: -10.198
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -5.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -203.489050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.489050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.489050 (E_RNA)
where:
Base-Base interactions energy: -128.089
where: short stacking energy: -66.140
Base-Backbone interact. energy: -0.075
local terms energy: -75.325860
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -18.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -195.478719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.478719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.478719 (E_RNA)
where:
Base-Base interactions energy: -117.931
where: short stacking energy: -58.565
Base-Backbone interact. energy: -0.595
local terms energy: -76.952948
where:
bonds (distance) C4'-P energy: -17.758
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -18.920
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: 7
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -183.431268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.431268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.431268 (E_RNA)
where:
Base-Base interactions energy: -112.392
where: short stacking energy: -56.519
Base-Backbone interact. energy: -0.684
local terms energy: -70.355017
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -11.847
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -20.097
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: 4, replica: 2
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -175.667257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.667257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.667257 (E_RNA)
where:
Base-Base interactions energy: -104.075
where: short stacking energy: -58.727
Base-Backbone interact. energy: -0.006
local terms energy: -71.587026
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -15.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -166.952378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.952378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.952378 (E_RNA)
where:
Base-Base interactions energy: -99.309
where: short stacking energy: -51.728
Base-Backbone interact. energy: -0.223
local terms energy: -67.420483
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -14.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -150.269191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.269191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.269191 (E_RNA)
where:
Base-Base interactions energy: -85.360
where: short stacking energy: -43.936
Base-Backbone interact. energy: -0.036
local terms energy: -64.873206
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -10.104
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: 10
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -75.957110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.957110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.957110 (E_RNA)
where:
Base-Base interactions energy: -23.378
where: short stacking energy: -23.378
Base-Backbone interact. energy: 1.102
local terms energy: -53.681535
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -11.394
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -1.337
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: 4
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -89.274461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.274461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.274461 (E_RNA)
where:
Base-Base interactions energy: -27.223
where: short stacking energy: -27.223
Base-Backbone interact. energy: -0.477
local terms energy: -61.573985
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -7.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -65.154652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.154652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.154652 (E_RNA)
where:
Base-Base interactions energy: -21.447
where: short stacking energy: -21.536
Base-Backbone interact. energy: -0.194
local terms energy: -43.513950
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -5.807
tors. eta vs tors. theta energy: 0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -78.617630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.617630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.617630 (E_RNA)
where:
Base-Base interactions energy: -32.704
where: short stacking energy: -32.089
Base-Backbone interact. energy: -0.235
local terms energy: -45.678648
where:
bonds (distance) C4'-P energy: -6.578
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -1.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -196.904271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.904271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.904271 (E_RNA)
where:
Base-Base interactions energy: -122.366
where: short stacking energy: -69.031
Base-Backbone interact. energy: 0.253
local terms energy: -74.790927
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -20.846
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: 8
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -193.377475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.377475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.377475 (E_RNA)
where:
Base-Base interactions energy: -122.433
where: short stacking energy: -62.119
Base-Backbone interact. energy: -0.144
local terms energy: -70.800430
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -13.566
tors. eta vs tors. theta energy: -17.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -177.980255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.980255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.980255 (E_RNA)
where:
Base-Base interactions energy: -106.014
where: short stacking energy: -58.836
Base-Backbone interact. energy: -0.019
local terms energy: -71.946660
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -11.137
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -18.070
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: 416
Temperature: 1.050000
Total energy: -166.747262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.747262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.747262 (E_RNA)
where:
Base-Base interactions energy: -97.332
where: short stacking energy: -51.420
Base-Backbone interact. energy: -1.040
local terms energy: -68.374745
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -13.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -157.475695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.475695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.475695 (E_RNA)
where:
Base-Base interactions energy: -87.352
where: short stacking energy: -53.679
Base-Backbone interact. energy: -0.119
local terms energy: -70.004216
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -13.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -137.972997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.972997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.972997 (E_RNA)
where:
Base-Base interactions energy: -80.460
where: short stacking energy: -42.575
Base-Backbone interact. energy: -0.152
local terms energy: -57.361183
where:
bonds (distance) C4'-P energy: -9.744
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -4.622
tors. eta vs tors. theta energy: -14.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -91.382704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.382704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.382704 (E_RNA)
where:
Base-Base interactions energy: -36.658
where: short stacking energy: -36.658
Base-Backbone interact. energy: -0.242
local terms energy: -54.482649
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -7.578
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -6.289
tors. eta vs tors. theta energy: -9.070
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: 10
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -87.215955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.215955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.215955 (E_RNA)
where:
Base-Base interactions energy: -32.183
where: short stacking energy: -32.156
Base-Backbone interact. energy: -0.192
local terms energy: -54.840985
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -9.495
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -4.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -91.366526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.366526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.366526 (E_RNA)
where:
Base-Base interactions energy: -40.549
where: short stacking energy: -32.795
Base-Backbone interact. energy: -0.852
local terms energy: -49.965792
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -1.106
tors. eta vs tors. theta energy: -5.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -65.720681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.720681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.720681 (E_RNA)
where:
Base-Base interactions energy: -20.895
where: short stacking energy: -16.653
Base-Backbone interact. energy: -0.775
local terms energy: -44.051109
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: 4.299
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: 5
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -195.905743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.905743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.905743 (E_RNA)
where:
Base-Base interactions energy: -125.079
where: short stacking energy: -72.625
Base-Backbone interact. energy: -0.324
local terms energy: -70.502338
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -13.027
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: -20.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -193.863123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.863123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.863123 (E_RNA)
where:
Base-Base interactions energy: -115.327
where: short stacking energy: -63.617
Base-Backbone interact. energy: -0.007
local terms energy: -78.529043
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -18.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -189.687948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.687948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.687948 (E_RNA)
where:
Base-Base interactions energy: -116.885
where: short stacking energy: -64.742
Base-Backbone interact. energy: -0.290
local terms energy: -72.513091
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -13.910
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -17.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -169.256576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.256576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.256576 (E_RNA)
where:
Base-Base interactions energy: -104.209
where: short stacking energy: -64.570
Base-Backbone interact. energy: -0.305
local terms energy: -64.742740
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -12.664
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -14.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -149.442874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.442874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.442874 (E_RNA)
where:
Base-Base interactions energy: -88.912
where: short stacking energy: -55.381
Base-Backbone interact. energy: -0.077
local terms energy: -60.454117
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -4.262
tors. eta vs tors. theta energy: -13.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -100.836107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.836107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.836107 (E_RNA)
where:
Base-Base interactions energy: -38.703
where: short stacking energy: -38.703
Base-Backbone interact. energy: 0.294
local terms energy: -62.427538
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -6.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -132.565141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.565141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.565141 (E_RNA)
where:
Base-Base interactions energy: -72.294
where: short stacking energy: -34.895
Base-Backbone interact. energy: -1.585
local terms energy: -58.685882
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -6.467
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: 8, replica: 9
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -91.422547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.422547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.422547 (E_RNA)
where:
Base-Base interactions energy: -43.159
where: short stacking energy: -37.684
Base-Backbone interact. energy: 0.490
local terms energy: -48.753285
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -7.198
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -7.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -74.392625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.392625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.392625 (E_RNA)
where:
Base-Base interactions energy: -22.774
where: short stacking energy: -22.774
Base-Backbone interact. energy: -0.603
local terms energy: -51.015768
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -10.879
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -4.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -71.963442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.963442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.963442 (E_RNA)
where:
Base-Base interactions energy: -30.884
where: short stacking energy: -26.070
Base-Backbone interact. energy: -0.264
local terms energy: -40.814749
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -11.223
flat angles P-C4'-P energy: -4.208
tors. eta vs tors. theta energy: 2.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -194.921195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.921195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.921195 (E_RNA)
where:
Base-Base interactions energy: -120.871
where: short stacking energy: -68.349
Base-Backbone interact. energy: -0.101
local terms energy: -73.948403
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -13.392
tors. eta vs tors. theta energy: -17.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -180.635738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.635738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.635738 (E_RNA)
where:
Base-Base interactions energy: -109.036
where: short stacking energy: -65.246
Base-Backbone interact. energy: -0.504
local terms energy: -71.094991
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -15.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -204.224886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.224886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.224886 (E_RNA)
where:
Base-Base interactions energy: -128.339
where: short stacking energy: -62.194
Base-Backbone interact. energy: -0.094
local terms energy: -75.791749
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -16.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -152.148646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.148646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.148646 (E_RNA)
where:
Base-Base interactions energy: -83.057
where: short stacking energy: -51.460
Base-Backbone interact. energy: -0.673
local terms energy: -68.418484
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -12.436
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: 7
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -160.963932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.963932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.963932 (E_RNA)
where:
Base-Base interactions energy: -89.462
where: short stacking energy: -52.562
Base-Backbone interact. energy: -0.007
local terms energy: -71.494727
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -18.454
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: 6, replica: 4
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -103.854555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.854555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.854555 (E_RNA)
where:
Base-Base interactions energy: -45.944
where: short stacking energy: -44.051
Base-Backbone interact. energy: -0.914
local terms energy: -56.996898
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -1.000
tors. eta vs tors. theta energy: -11.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -156.477056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.477056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.477056 (E_RNA)
where:
Base-Base interactions energy: -96.820
where: short stacking energy: -45.092
Base-Backbone interact. energy: 0.369
local terms energy: -60.026342
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -6.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -87.626152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.626152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.626152 (E_RNA)
where:
Base-Base interactions energy: -36.674
where: short stacking energy: -30.335
Base-Backbone interact. energy: -0.077
local terms energy: -50.875220
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -7.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -75.663789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.663789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.663789 (E_RNA)
where:
Base-Base interactions energy: -37.586
where: short stacking energy: -19.534
Base-Backbone interact. energy: -1.637
local terms energy: -36.440360
where:
bonds (distance) C4'-P energy: -7.347
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -6.669
flat angles P-C4'-P energy: -5.740
tors. eta vs tors. theta energy: -0.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -79.351899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.351899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.351899 (E_RNA)
where:
Base-Base interactions energy: -29.636
where: short stacking energy: -29.636
Base-Backbone interact. energy: -0.433
local terms energy: -49.283130
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -17.634
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -5.795
tors. eta vs tors. theta energy: 0.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -202.520091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.520091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.520091 (E_RNA)
where:
Base-Base interactions energy: -127.328
where: short stacking energy: -59.286
Base-Backbone interact. energy: -0.592
local terms energy: -74.600804
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -14.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -209.148350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.148350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.148350 (E_RNA)
where:
Base-Base interactions energy: -135.721
where: short stacking energy: -59.486
Base-Backbone interact. energy: -0.016
local terms energy: -73.411370
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -16.176
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: 2
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -165.906290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.906290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.906290 (E_RNA)
where:
Base-Base interactions energy: -99.484
where: short stacking energy: -55.275
Base-Backbone interact. energy: -1.417
local terms energy: -65.005043
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -11.220
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: 4, replica: 7
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -182.946840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.946840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.946840 (E_RNA)
where:
Base-Base interactions energy: -115.950
where: short stacking energy: -68.548
Base-Backbone interact. energy: -0.293
local terms energy: -66.703942
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -6.412
tors. eta vs tors. theta energy: -19.652
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: 6
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -136.567094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.567094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.567094 (E_RNA)
where:
Base-Base interactions energy: -77.706
where: short stacking energy: -51.476
Base-Backbone interact. energy: 2.408
local terms energy: -61.269852
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -12.583
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -9.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -146.580890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.580890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.580890 (E_RNA)
where:
Base-Base interactions energy: -93.184
where: short stacking energy: -49.612
Base-Backbone interact. energy: -0.121
local terms energy: -53.275469
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -11.841
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -5.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -90.018270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.018270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.018270 (E_RNA)
where:
Base-Base interactions energy: -37.458
where: short stacking energy: -37.458
Base-Backbone interact. energy: -0.249
local terms energy: -52.311309
where:
bonds (distance) C4'-P energy: -9.123
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -3.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -87.973221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.973221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.973221 (E_RNA)
where:
Base-Base interactions energy: -37.112
where: short stacking energy: -36.518
Base-Backbone interact. energy: -0.144
local terms energy: -50.717221
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -10.446
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -4.384
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: 1
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -79.767403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.767403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.767403 (E_RNA)
where:
Base-Base interactions energy: -31.907
where: short stacking energy: -31.294
Base-Backbone interact. energy: 0.288
local terms energy: -48.149364
where:
bonds (distance) C4'-P energy: -9.392
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -1.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -82.805160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.805160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.805160 (E_RNA)
where:
Base-Base interactions energy: -34.178
where: short stacking energy: -28.151
Base-Backbone interact. energy: -0.949
local terms energy: -47.678282
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -6.444
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -1.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -215.113616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.113616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.113616 (E_RNA)
where:
Base-Base interactions energy: -138.729
where: short stacking energy: -66.840
Base-Backbone interact. energy: -0.232
local terms energy: -76.152916
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -16.433
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: 5
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -204.339411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.339411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.339411 (E_RNA)
where:
Base-Base interactions energy: -139.960
where: short stacking energy: -64.324
Base-Backbone interact. energy: -0.210
local terms energy: -64.169718
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -4.775
tors. eta vs tors. theta energy: -16.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -185.961430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.961430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.961430 (E_RNA)
where:
Base-Base interactions energy: -110.280
where: short stacking energy: -65.126
Base-Backbone interact. energy: -0.114
local terms energy: -75.567107
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -14.608
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -18.160
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: 4, replica: 2
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -159.739276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.739276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.739276 (E_RNA)
where:
Base-Base interactions energy: -91.396
where: short stacking energy: -51.435
Base-Backbone interact. energy: -0.056
local terms energy: -68.287709
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -13.986
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: 5, replica: 3
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -171.158569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.158569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.158569 (E_RNA)
where:
Base-Base interactions energy: -98.821
where: short stacking energy: -49.422
Base-Backbone interact. energy: -0.004
local terms energy: -72.333006
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -17.692
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -15.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -140.596048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.596048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.596048 (E_RNA)
where:
Base-Base interactions energy: -75.561
where: short stacking energy: -39.126
Base-Backbone interact. energy: -0.012
local terms energy: -65.023147
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -9.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -94.849848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.849848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.849848 (E_RNA)
where:
Base-Base interactions energy: -53.066
where: short stacking energy: -38.756
Base-Backbone interact. energy: -1.320
local terms energy: -40.463806
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -11.511
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -3.910
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: 8, replica: 4
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -94.411622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.411622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.411622 (E_RNA)
where:
Base-Base interactions energy: -45.179
where: short stacking energy: -45.179
Base-Backbone interact. energy: -0.271
local terms energy: -48.962430
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -9.492
flat angles C4'-P-C4' energy: -10.433
flat angles P-C4'-P energy: -6.095
tors. eta vs tors. theta energy: -11.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -78.439024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.439024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.439024 (E_RNA)
where:
Base-Base interactions energy: -36.338
where: short stacking energy: -26.725
Base-Backbone interact. energy: 0.020
local terms energy: -42.120625
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -10.016
flat angles P-C4'-P energy: -3.817
tors. eta vs tors. theta energy: -1.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -82.043220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.043220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.043220 (E_RNA)
where:
Base-Base interactions energy: -29.389
where: short stacking energy: -24.424
Base-Backbone interact. energy: -0.237
local terms energy: -52.416445
where:
bonds (distance) C4'-P energy: -17.626
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -8.554
flat angles P-C4'-P energy: -12.492
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: 1, replica: 8
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -213.808477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.808477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.808477 (E_RNA)
where:
Base-Base interactions energy: -138.809
where: short stacking energy: -67.017
Base-Backbone interact. energy: -0.148
local terms energy: -74.852078
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -18.664
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: 2, replica: 5
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -202.955777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.955777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.955777 (E_RNA)
where:
Base-Base interactions energy: -122.183
where: short stacking energy: -53.799
Base-Backbone interact. energy: -0.185
local terms energy: -80.588694
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: -15.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -194.016008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.016008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.016008 (E_RNA)
where:
Base-Base interactions energy: -112.988
where: short stacking energy: -69.067
Base-Backbone interact. energy: -0.230
local terms energy: -80.797727
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -24.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -168.109738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.109738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.109738 (E_RNA)
where:
Base-Base interactions energy: -97.316
where: short stacking energy: -53.024
Base-Backbone interact. energy: -0.359
local terms energy: -70.434295
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -17.287
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: 421
Temperature: 1.100000
Total energy: -161.864690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.864690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.864690 (E_RNA)
where:
Base-Base interactions energy: -94.101
where: short stacking energy: -46.154
Base-Backbone interact. energy: -0.807
local terms energy: -66.956710
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -13.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -146.307433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.307433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.307433 (E_RNA)
where:
Base-Base interactions energy: -87.789
where: short stacking energy: -51.115
Base-Backbone interact. energy: -0.073
local terms energy: -58.445568
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -4.295
tors. eta vs tors. theta energy: -11.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -86.581525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.581525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.581525 (E_RNA)
where:
Base-Base interactions energy: -20.417
where: short stacking energy: -20.417
Base-Backbone interact. energy: -0.103
local terms energy: -66.061637
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -7.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -89.046367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.046367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.046367 (E_RNA)
where:
Base-Base interactions energy: -34.630
where: short stacking energy: -34.630
Base-Backbone interact. energy: -0.009
local terms energy: -54.407907
where:
bonds (distance) C4'-P energy: -9.189
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -6.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -81.553967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.553967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.553967 (E_RNA)
where:
Base-Base interactions energy: -31.511
where: short stacking energy: -31.141
Base-Backbone interact. energy: -0.032
local terms energy: -50.010230
where:
bonds (distance) C4'-P energy: -9.043
bonds (distance) P-C4' energy: -11.406
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -5.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -69.360768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.360768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.360768 (E_RNA)
where:
Base-Base interactions energy: -25.441
where: short stacking energy: -20.629
Base-Backbone interact. energy: -0.098
local terms energy: -43.822020
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -5.466
tors. eta vs tors. theta energy: -1.222
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: 1, replica: 8
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -198.074222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.074222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.074222 (E_RNA)
where:
Base-Base interactions energy: -119.761
where: short stacking energy: -61.737
Base-Backbone interact. energy: -0.001
local terms energy: -78.312433
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -17.641
flat angles C4'-P-C4' energy: -11.208
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -21.905
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: 2, replica: 5
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -207.399436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.399436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.399436 (E_RNA)
where:
Base-Base interactions energy: -136.519
where: short stacking energy: -61.224
Base-Backbone interact. energy: -0.358
local terms energy: -70.522785
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -16.661
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: 7
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -196.782088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.782088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.782088 (E_RNA)
where:
Base-Base interactions energy: -116.284
where: short stacking energy: -65.028
Base-Backbone interact. energy: -0.002
local terms energy: -80.496356
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -19.146
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: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -164.883584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.883584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.883584 (E_RNA)
where:
Base-Base interactions energy: -98.811
where: short stacking energy: -49.953
Base-Backbone interact. energy: -0.166
local terms energy: -65.906271
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -11.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -166.415125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.415125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.415125 (E_RNA)
where:
Base-Base interactions energy: -108.310
where: short stacking energy: -59.390
Base-Backbone interact. energy: -0.059
local terms energy: -58.046200
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -5.163
tors. eta vs tors. theta energy: -12.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -146.964095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.964095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.964095 (E_RNA)
where:
Base-Base interactions energy: -84.411
where: short stacking energy: -37.840
Base-Backbone interact. energy: -0.745
local terms energy: -61.808093
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -6.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -96.627774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.627774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.627774 (E_RNA)
where:
Base-Base interactions energy: -35.633
where: short stacking energy: -28.855
Base-Backbone interact. energy: -1.079
local terms energy: -59.915816
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -5.387
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: 9
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -81.893767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.893767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.893767 (E_RNA)
where:
Base-Base interactions energy: -28.773
where: short stacking energy: -28.751
Base-Backbone interact. energy: -0.578
local terms energy: -52.542817
where:
bonds (distance) C4'-P energy: -9.321
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -10.505
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: 9, replica: 10
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -89.253848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.253848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.253848 (E_RNA)
where:
Base-Base interactions energy: -34.343
where: short stacking energy: -32.869
Base-Backbone interact. energy: -0.001
local terms energy: -54.909346
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -4.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -82.416267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.416267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.416267 (E_RNA)
where:
Base-Base interactions energy: -34.087
where: short stacking energy: -32.273
Base-Backbone interact. energy: -0.115
local terms energy: -48.214840
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -9.107
flat angles C4'-P-C4' energy: -8.612
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -4.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -200.182722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.182722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.182722 (E_RNA)
where:
Base-Base interactions energy: -116.922
where: short stacking energy: -62.506
Base-Backbone interact. energy: -2.241
local terms energy: -81.019759
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -20.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -198.386473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.386473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.386473 (E_RNA)
where:
Base-Base interactions energy: -113.639
where: short stacking energy: -68.033
Base-Backbone interact. energy: -0.008
local terms energy: -84.739661
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -13.196
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: 3, replica: 5
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -188.300149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.300149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.300149 (E_RNA)
where:
Base-Base interactions energy: -121.012
where: short stacking energy: -59.029
Base-Backbone interact. energy: -0.095
local terms energy: -67.193541
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -14.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -176.607987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.607987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.607987 (E_RNA)
where:
Base-Base interactions energy: -104.411
where: short stacking energy: -60.161
Base-Backbone interact. energy: -0.210
local terms energy: -71.987113
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -17.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -171.121725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.121725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.121725 (E_RNA)
where:
Base-Base interactions energy: -102.199
where: short stacking energy: -51.838
Base-Backbone interact. energy: -0.184
local terms energy: -68.738427
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -12.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -152.539143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.539143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.539143 (E_RNA)
where:
Base-Base interactions energy: -86.702
where: short stacking energy: -50.661
Base-Backbone interact. energy: -0.154
local terms energy: -65.683583
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -11.217
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -14.616
tors. eta vs tors. theta energy: -13.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -81.698823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.698823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.698823 (E_RNA)
where:
Base-Base interactions energy: -29.846
where: short stacking energy: -29.846
Base-Backbone interact. energy: -0.136
local terms energy: -51.717070
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -8.222
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: 8, replica: 10
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -95.033622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.033622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.033622 (E_RNA)
where:
Base-Base interactions energy: -37.571
where: short stacking energy: -35.623
Base-Backbone interact. energy: -0.061
local terms energy: -57.401574
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -7.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -85.398498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.398498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.398498 (E_RNA)
where:
Base-Base interactions energy: -31.913
where: short stacking energy: -29.397
Base-Backbone interact. energy: 0.042
local terms energy: -53.527882
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -5.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -81.704506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.704506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.704506 (E_RNA)
where:
Base-Base interactions energy: -30.550
where: short stacking energy: -18.747
Base-Backbone interact. energy: -1.680
local terms energy: -49.474518
where:
bonds (distance) C4'-P energy: -9.582
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -11.377
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: 8
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -204.413298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.413298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.413298 (E_RNA)
where:
Base-Base interactions energy: -137.949
where: short stacking energy: -64.888
Base-Backbone interact. energy: -0.028
local terms energy: -66.436864
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -15.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -187.244280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.244280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.244280 (E_RNA)
where:
Base-Base interactions energy: -117.965
where: short stacking energy: -62.897
Base-Backbone interact. energy: 0.141
local terms energy: -69.421070
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -18.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -179.174931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.174931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.174931 (E_RNA)
where:
Base-Base interactions energy: -103.064
where: short stacking energy: -60.095
Base-Backbone interact. energy: -0.225
local terms energy: -75.886243
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -16.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -163.385233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.385233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.385233 (E_RNA)
where:
Base-Base interactions energy: -99.995
where: short stacking energy: -57.223
Base-Backbone interact. energy: -0.067
local terms energy: -63.323783
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -10.453
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -11.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -160.676513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.676513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.676513 (E_RNA)
where:
Base-Base interactions energy: -96.113
where: short stacking energy: -57.932
Base-Backbone interact. energy: 0.003
local terms energy: -64.566808
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -12.940
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: 3
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -154.803701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.803701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.803701 (E_RNA)
where:
Base-Base interactions energy: -92.909
where: short stacking energy: -49.381
Base-Backbone interact. energy: 0.999
local terms energy: -62.893426
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -11.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -85.333260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.333260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.333260 (E_RNA)
where:
Base-Base interactions energy: -28.734
where: short stacking energy: -17.597
Base-Backbone interact. energy: -0.031
local terms energy: -56.567646
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -5.500
tors. eta vs tors. theta energy: -6.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -79.495822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.495822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.495822 (E_RNA)
where:
Base-Base interactions energy: -25.759
where: short stacking energy: -25.759
Base-Backbone interact. energy: -0.072
local terms energy: -53.664520
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -6.552
tors. eta vs tors. theta energy: -3.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -86.842281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.842281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.842281 (E_RNA)
where:
Base-Base interactions energy: -38.722
where: short stacking energy: -19.678
Base-Backbone interact. energy: -1.285
local terms energy: -46.835027
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -11.926
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -0.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -78.473246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.473246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.473246 (E_RNA)
where:
Base-Base interactions energy: -27.239
where: short stacking energy: -27.239
Base-Backbone interact. energy: -0.138
local terms energy: -51.096260
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -4.707
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -4.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -195.985482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.985482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.985482 (E_RNA)
where:
Base-Base interactions energy: -116.936
where: short stacking energy: -62.541
Base-Backbone interact. energy: -0.024
local terms energy: -79.025779
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -17.865
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: 425
Temperature: 0.950000
Total energy: -198.428306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.428306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.428306 (E_RNA)
where:
Base-Base interactions energy: -128.523
where: short stacking energy: -60.986
Base-Backbone interact. energy: 0.091
local terms energy: -69.996158
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -15.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -175.561857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.561857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.561857 (E_RNA)
where:
Base-Base interactions energy: -100.580
where: short stacking energy: -54.926
Base-Backbone interact. energy: -0.003
local terms energy: -74.979366
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -17.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -162.002951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.002951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.002951 (E_RNA)
where:
Base-Base interactions energy: -94.185
where: short stacking energy: -48.288
Base-Backbone interact. energy: -0.129
local terms energy: -67.688859
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -9.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -170.166240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.166240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.166240 (E_RNA)
where:
Base-Base interactions energy: -105.775
where: short stacking energy: -55.652
Base-Backbone interact. energy: -0.001
local terms energy: -64.390751
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -11.515
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: 6, replica: 3
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -133.968203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.968203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.968203 (E_RNA)
where:
Base-Base interactions energy: -71.631
where: short stacking energy: -32.863
Base-Backbone interact. energy: -0.093
local terms energy: -62.244217
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -9.482
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: 10
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -105.726964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.726964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.726964 (E_RNA)
where:
Base-Base interactions energy: -54.744
where: short stacking energy: -48.136
Base-Backbone interact. energy: -0.144
local terms energy: -50.838957
where:
bonds (distance) C4'-P energy: -7.942
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -9.376
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: 9
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -80.064659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.064659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.064659 (E_RNA)
where:
Base-Base interactions energy: -30.427
where: short stacking energy: -30.427
Base-Backbone interact. energy: 2.490
local terms energy: -52.127940
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -5.050
tors. eta vs tors. theta energy: -3.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -75.704140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.704140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.704140 (E_RNA)
where:
Base-Base interactions energy: -22.353
where: short stacking energy: -19.457
Base-Backbone interact. energy: -0.658
local terms energy: -52.692955
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: 2.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -79.370448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.370448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.370448 (E_RNA)
where:
Base-Base interactions energy: -24.262
where: short stacking energy: -23.147
Base-Backbone interact. energy: -0.454
local terms energy: -54.653765
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -2.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -210.254199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.254199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.254199 (E_RNA)
where:
Base-Base interactions energy: -138.403
where: short stacking energy: -67.078
Base-Backbone interact. energy: -0.340
local terms energy: -71.511496
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -17.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -180.027588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.027588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.027588 (E_RNA)
where:
Base-Base interactions energy: -107.039
where: short stacking energy: -60.730
Base-Backbone interact. energy: -0.125
local terms energy: -72.862909
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -16.079
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: 6
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -185.539469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.539469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.539469 (E_RNA)
where:
Base-Base interactions energy: -114.700
where: short stacking energy: -60.602
Base-Backbone interact. energy: -0.005
local terms energy: -70.835073
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -15.895
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: 2
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -169.592567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.592567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.592567 (E_RNA)
where:
Base-Base interactions energy: -99.584
where: short stacking energy: -56.196
Base-Backbone interact. energy: -0.022
local terms energy: -69.986503
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -14.039
tors. eta vs tors. theta energy: -12.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -174.742927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.742927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.742927 (E_RNA)
where:
Base-Base interactions energy: -110.034
where: short stacking energy: -55.906
Base-Backbone interact. energy: -0.100
local terms energy: -64.608738
where:
bonds (distance) C4'-P energy: -10.163
bonds (distance) P-C4' energy: -9.412
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -19.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -150.993445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.993445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.993445 (E_RNA)
where:
Base-Base interactions energy: -82.917
where: short stacking energy: -47.827
Base-Backbone interact. energy: -0.726
local terms energy: -67.350878
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -12.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -93.008660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.008660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.008660 (E_RNA)
where:
Base-Base interactions energy: -40.585
where: short stacking energy: -40.585
Base-Backbone interact. energy: -0.078
local terms energy: -52.345148
where:
bonds (distance) C4'-P energy: -8.953
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -7.951
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -10.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -91.782430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.782430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.782430 (E_RNA)
where:
Base-Base interactions energy: -30.020
where: short stacking energy: -30.020
Base-Backbone interact. energy: -0.120
local terms energy: -61.641522
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -12.006
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: 9, replica: 4
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -73.873735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.873735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.873735 (E_RNA)
where:
Base-Base interactions energy: -24.773
where: short stacking energy: -19.781
Base-Backbone interact. energy: -0.525
local terms energy: -48.575091
where:
bonds (distance) C4'-P energy: -8.721
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -4.700
tors. eta vs tors. theta energy: -0.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -76.778892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.778892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.778892 (E_RNA)
where:
Base-Base interactions energy: -22.697
where: short stacking energy: -22.697
Base-Backbone interact. energy: 0.514
local terms energy: -54.596072
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -4.858
tors. eta vs tors. theta energy: -3.716
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: 1, replica: 7
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -209.378854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.378854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.378854 (E_RNA)
where:
Base-Base interactions energy: -129.368
where: short stacking energy: -72.414
Base-Backbone interact. energy: -0.005
local terms energy: -80.006248
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -14.711
tors. eta vs tors. theta energy: -22.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -202.962716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.962716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.962716 (E_RNA)
where:
Base-Base interactions energy: -133.711
where: short stacking energy: -69.631
Base-Backbone interact. energy: -0.114
local terms energy: -69.138243
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -18.064
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: 8
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -195.290701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.290701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.290701 (E_RNA)
where:
Base-Base interactions energy: -124.746
where: short stacking energy: -71.735
Base-Backbone interact. energy: -0.704
local terms energy: -69.840543
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -10.553
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -21.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -174.339276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.339276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.339276 (E_RNA)
where:
Base-Base interactions energy: -115.856
where: short stacking energy: -54.227
Base-Backbone interact. energy: -0.513
local terms energy: -57.970666
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -10.551
flat angles P-C4'-P energy: -6.776
tors. eta vs tors. theta energy: -13.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -162.850950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.850950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.850950 (E_RNA)
where:
Base-Base interactions energy: -92.784
where: short stacking energy: -46.408
Base-Backbone interact. energy: 0.074
local terms energy: -70.141089
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -11.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -158.799629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.799629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.799629 (E_RNA)
where:
Base-Base interactions energy: -94.221
where: short stacking energy: -51.571
Base-Backbone interact. energy: -0.001
local terms energy: -64.577795
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -14.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -91.808427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.808427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.808427 (E_RNA)
where:
Base-Base interactions energy: -37.644
where: short stacking energy: -32.571
Base-Backbone interact. energy: -0.119
local terms energy: -54.046124
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: 0.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -78.137146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.137146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.137146 (E_RNA)
where:
Base-Base interactions energy: -30.922
where: short stacking energy: -27.316
Base-Backbone interact. energy: 0.046
local terms energy: -47.261132
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -7.820
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -5.483
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: 4
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -83.221290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.221290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.221290 (E_RNA)
where:
Base-Base interactions energy: -30.900
where: short stacking energy: -27.996
Base-Backbone interact. energy: -0.098
local terms energy: -52.223306
where:
bonds (distance) C4'-P energy: -7.052
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -5.628
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: 10, replica: 1
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -82.386989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.386989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.386989 (E_RNA)
where:
Base-Base interactions energy: -27.258
where: short stacking energy: -26.695
Base-Backbone interact. energy: -1.401
local terms energy: -53.728441
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -3.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -207.411007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.411007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.411007 (E_RNA)
where:
Base-Base interactions energy: -120.576
where: short stacking energy: -71.075
Base-Backbone interact. energy: -0.004
local terms energy: -86.831720
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -21.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -197.001210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.001210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.001210 (E_RNA)
where:
Base-Base interactions energy: -121.588
where: short stacking energy: -65.577
Base-Backbone interact. energy: -0.072
local terms energy: -75.340921
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -18.376
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: 3, replica: 8
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -179.844522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.844522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.844522 (E_RNA)
where:
Base-Base interactions energy: -109.598
where: short stacking energy: -56.709
Base-Backbone interact. energy: -0.080
local terms energy: -70.165963
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -16.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -160.965480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.965480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.965480 (E_RNA)
where:
Base-Base interactions energy: -98.008
where: short stacking energy: -56.285
Base-Backbone interact. energy: 0.257
local terms energy: -63.214402
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -11.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -160.148822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.148822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.148822 (E_RNA)
where:
Base-Base interactions energy: -98.056
where: short stacking energy: -46.922
Base-Backbone interact. energy: -0.024
local terms energy: -62.068328
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -12.646
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -12.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -142.789952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.789952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.789952 (E_RNA)
where:
Base-Base interactions energy: -82.186
where: short stacking energy: -44.164
Base-Backbone interact. energy: -0.189
local terms energy: -60.415461
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -5.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -97.270019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.270019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.270019 (E_RNA)
where:
Base-Base interactions energy: -37.311
where: short stacking energy: -32.217
Base-Backbone interact. energy: -0.206
local terms energy: -59.753018
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -11.571
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: 8, replica: 9
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -78.079182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.079182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.079182 (E_RNA)
where:
Base-Base interactions energy: -37.628
where: short stacking energy: -28.057
Base-Backbone interact. energy: -0.343
local terms energy: -40.108358
where:
bonds (distance) C4'-P energy: -9.460
bonds (distance) P-C4' energy: -9.818
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: 0.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -95.706401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.706401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.706401 (E_RNA)
where:
Base-Base interactions energy: -53.537
where: short stacking energy: -27.789
Base-Backbone interact. energy: 0.342
local terms energy: -42.510957
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -10.602
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -6.608
tors. eta vs tors. theta energy: 0.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -78.100335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.100335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.100335 (E_RNA)
where:
Base-Base interactions energy: -31.713
where: short stacking energy: -28.702
Base-Backbone interact. energy: -0.170
local terms energy: -46.217182
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -9.280
flat angles P-C4'-P energy: -5.363
tors. eta vs tors. theta energy: -4.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -203.380838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.380838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.380838 (E_RNA)
where:
Base-Base interactions energy: -126.441
where: short stacking energy: -66.843
Base-Backbone interact. energy: -0.042
local terms energy: -76.897624
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -18.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -179.880526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.880526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.880526 (E_RNA)
where:
Base-Base interactions energy: -110.184
where: short stacking energy: -53.446
Base-Backbone interact. energy: -0.031
local terms energy: -69.665262
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -9.942
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: 3, replica: 6
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -190.800427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.800427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.800427 (E_RNA)
where:
Base-Base interactions energy: -117.302
where: short stacking energy: -63.819
Base-Backbone interact. energy: -0.073
local terms energy: -73.425467
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -16.353
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: 429
Temperature: 1.050000
Total energy: -174.356467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.356467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.356467 (E_RNA)
where:
Base-Base interactions energy: -108.693
where: short stacking energy: -56.407
Base-Backbone interact. energy: -0.389
local terms energy: -65.274836
where:
bonds (distance) C4'-P energy: -9.281
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -13.974
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: 5
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -158.670741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.670741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.670741 (E_RNA)
where:
Base-Base interactions energy: -94.445
where: short stacking energy: -48.799
Base-Backbone interact. energy: -0.033
local terms energy: -64.192672
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -11.780
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: 6, replica: 3
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -139.785769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.785769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.785769 (E_RNA)
where:
Base-Base interactions energy: -85.345
where: short stacking energy: -43.639
Base-Backbone interact. energy: -0.268
local terms energy: -54.172345
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -2.089
tors. eta vs tors. theta energy: -11.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -83.511053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.511053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.511053 (E_RNA)
where:
Base-Base interactions energy: -28.963
where: short stacking energy: -27.575
Base-Backbone interact. energy: -0.229
local terms energy: -54.319218
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -2.992
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: 1
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -110.606989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.606989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.606989 (E_RNA)
where:
Base-Base interactions energy: -58.489
where: short stacking energy: -26.709
Base-Backbone interact. energy: -0.602
local terms energy: -51.515646
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -16.935
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: 2.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -91.795836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.795836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.795836 (E_RNA)
where:
Base-Base interactions energy: -37.936
where: short stacking energy: -37.936
Base-Backbone interact. energy: 2.644
local terms energy: -56.503622
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -8.540
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -9.644
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: 4
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -77.939414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.939414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.939414 (E_RNA)
where:
Base-Base interactions energy: -30.949
where: short stacking energy: -30.949
Base-Backbone interact. energy: -1.206
local terms energy: -45.784130
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -12.131
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -6.508
tors. eta vs tors. theta energy: 0.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -191.153262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.153262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.153262 (E_RNA)
where:
Base-Base interactions energy: -115.978
where: short stacking energy: -62.741
Base-Backbone interact. energy: -0.109
local terms energy: -75.065915
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -12.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -194.591580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.591580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.591580 (E_RNA)
where:
Base-Base interactions energy: -115.511
where: short stacking energy: -66.343
Base-Backbone interact. energy: -0.001
local terms energy: -79.079855
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -20.427
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: 2
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -169.381167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.381167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.381167 (E_RNA)
where:
Base-Base interactions energy: -103.521
where: short stacking energy: -52.530
Base-Backbone interact. energy: 0.270
local terms energy: -66.130325
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -13.238
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: 4, replica: 6
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -182.251018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.251018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.251018 (E_RNA)
where:
Base-Base interactions energy: -113.939
where: short stacking energy: -61.533
Base-Backbone interact. energy: -0.067
local terms energy: -68.244879
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -14.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -166.542684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.542684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.542684 (E_RNA)
where:
Base-Base interactions energy: -97.406
where: short stacking energy: -49.764
Base-Backbone interact. energy: -0.501
local terms energy: -68.635491
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -8.987
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: 6, replica: 3
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -133.573779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.573779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.573779 (E_RNA)
where:
Base-Base interactions energy: -71.934
where: short stacking energy: -35.917
Base-Backbone interact. energy: -0.009
local terms energy: -61.630698
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -14.932
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -9.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -112.927280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.927280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.927280 (E_RNA)
where:
Base-Base interactions energy: -57.308
where: short stacking energy: -35.441
Base-Backbone interact. energy: -0.200
local terms energy: -55.419076
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -2.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -86.541335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.541335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.541335 (E_RNA)
where:
Base-Base interactions energy: -33.152
where: short stacking energy: -29.026
Base-Backbone interact. energy: -0.130
local terms energy: -53.259415
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -11.231
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -8.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -76.875699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.875699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.875699 (E_RNA)
where:
Base-Base interactions energy: -31.061
where: short stacking energy: -29.370
Base-Backbone interact. energy: -0.189
local terms energy: -45.626309
where:
bonds (distance) C4'-P energy: -9.167
bonds (distance) P-C4' energy: -11.783
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -70.422272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.422272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.422272 (E_RNA)
where:
Base-Base interactions energy: -32.209
where: short stacking energy: -23.467
Base-Backbone interact. energy: -0.109
local terms energy: -38.104354
where:
bonds (distance) C4'-P energy: -10.251
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -3.604
tors. eta vs tors. theta energy: 1.266
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: 8
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -198.488516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.488516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.488516 (E_RNA)
where:
Base-Base interactions energy: -125.805
where: short stacking energy: -67.568
Base-Backbone interact. energy: -0.056
local terms energy: -72.628085
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -17.414
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: 2, replica: 7
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -179.025598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.025598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.025598 (E_RNA)
where:
Base-Base interactions energy: -103.135
where: short stacking energy: -59.742
Base-Backbone interact. energy: -0.577
local terms energy: -75.313603
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -17.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -165.606949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.606949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.606949 (E_RNA)
where:
Base-Base interactions energy: -98.141
where: short stacking energy: -55.103
Base-Backbone interact. energy: -0.053
local terms energy: -67.412603
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -13.887
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: 5
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -197.940270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.940270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.940270 (E_RNA)
where:
Base-Base interactions energy: -123.422
where: short stacking energy: -68.923
Base-Backbone interact. energy: 0.282
local terms energy: -74.799649
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -18.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -189.170821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.170821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.170821 (E_RNA)
where:
Base-Base interactions energy: -118.068
where: short stacking energy: -61.092
Base-Backbone interact. energy: -0.131
local terms energy: -70.971908
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -10.735
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: 6, replica: 3
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -150.556736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.556736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.556736 (E_RNA)
where:
Base-Base interactions energy: -87.194
where: short stacking energy: -45.627
Base-Backbone interact. energy: -0.372
local terms energy: -62.991449
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -11.865
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: 7, replica: 1
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -86.273247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.273247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.273247 (E_RNA)
where:
Base-Base interactions energy: -34.145
where: short stacking energy: -33.108
Base-Backbone interact. energy: -0.040
local terms energy: -52.088266
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -2.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -92.708485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.708485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.708485 (E_RNA)
where:
Base-Base interactions energy: -39.103
where: short stacking energy: -33.178
Base-Backbone interact. energy: -0.228
local terms energy: -53.377633
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -11.971
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -6.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -79.606559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.606559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.606559 (E_RNA)
where:
Base-Base interactions energy: -33.243
where: short stacking energy: -28.628
Base-Backbone interact. energy: -0.116
local terms energy: -46.247964
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -9.515
flat angles P-C4'-P energy: -5.885
tors. eta vs tors. theta energy: -5.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -78.501177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.501177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.501177 (E_RNA)
where:
Base-Base interactions energy: -27.307
where: short stacking energy: -23.311
Base-Backbone interact. energy: -0.157
local terms energy: -51.036796
where:
bonds (distance) C4'-P energy: -12.535
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -0.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -192.936629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.936629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.936629 (E_RNA)
where:
Base-Base interactions energy: -120.319
where: short stacking energy: -65.731
Base-Backbone interact. energy: 0.227
local terms energy: -72.844535
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -14.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -189.274659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.274659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.274659 (E_RNA)
where:
Base-Base interactions energy: -112.173
where: short stacking energy: -60.325
Base-Backbone interact. energy: -0.168
local terms energy: -76.933406
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -18.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -182.858177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.858177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.858177 (E_RNA)
where:
Base-Base interactions energy: -112.634
where: short stacking energy: -58.587
Base-Backbone interact. energy: 0.924
local terms energy: -71.148243
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -17.649
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: 2
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -170.592094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.592094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.592094 (E_RNA)
where:
Base-Base interactions energy: -96.667
where: short stacking energy: -52.253
Base-Backbone interact. energy: -0.124
local terms energy: -73.801700
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -17.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -154.737342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.737342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.737342 (E_RNA)
where:
Base-Base interactions energy: -88.364
where: short stacking energy: -51.727
Base-Backbone interact. energy: -0.255
local terms energy: -66.119188
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -4.850
tors. eta vs tors. theta energy: -13.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -128.062875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.062875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.062875 (E_RNA)
where:
Base-Base interactions energy: -76.860
where: short stacking energy: -34.988
Base-Backbone interact. energy: -0.043
local terms energy: -51.159711
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -4.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -88.316965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.316965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.316965 (E_RNA)
where:
Base-Base interactions energy: -34.853
where: short stacking energy: -33.601
Base-Backbone interact. energy: -0.034
local terms energy: -53.429697
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -2.006
tors. eta vs tors. theta energy: -7.329
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: 8, replica: 1
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -86.856725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.856725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.856725 (E_RNA)
where:
Base-Base interactions energy: -35.215
where: short stacking energy: -32.215
Base-Backbone interact. energy: 0.370
local terms energy: -52.011090
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -5.978
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: 9, replica: 10
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -81.600381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.600381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.600381 (E_RNA)
where:
Base-Base interactions energy: -35.634
where: short stacking energy: -31.052
Base-Backbone interact. energy: -0.042
local terms energy: -45.924054
where:
bonds (distance) C4'-P energy: -10.467
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -9.400
flat angles P-C4'-P energy: -5.503
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: 10, replica: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -74.667616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.667616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.667616 (E_RNA)
where:
Base-Base interactions energy: -25.291
where: short stacking energy: -25.291
Base-Backbone interact. energy: -0.017
local terms energy: -49.359107
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: 1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -199.558966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.558966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.558966 (E_RNA)
where:
Base-Base interactions energy: -126.307
where: short stacking energy: -73.118
Base-Backbone interact. energy: -1.492
local terms energy: -71.760570
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -20.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -194.499261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.499261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.499261 (E_RNA)
where:
Base-Base interactions energy: -120.277
where: short stacking energy: -69.357
Base-Backbone interact. energy: -0.614
local terms energy: -73.607544
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -17.962
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: 5
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -177.074010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.074010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.074010 (E_RNA)
where:
Base-Base interactions energy: -108.089
where: short stacking energy: -54.034
Base-Backbone interact. energy: -0.025
local terms energy: -68.959779
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: -16.521
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: 2
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -169.359537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.359537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.359537 (E_RNA)
where:
Base-Base interactions energy: -98.205
where: short stacking energy: -53.124
Base-Backbone interact. energy: -0.028
local terms energy: -71.126050
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -11.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -175.304021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.304021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.304021 (E_RNA)
where:
Base-Base interactions energy: -104.151
where: short stacking energy: -58.701
Base-Backbone interact. energy: -0.028
local terms energy: -71.124370
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -18.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -143.000112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.000112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.000112 (E_RNA)
where:
Base-Base interactions energy: -85.166
where: short stacking energy: -44.588
Base-Backbone interact. energy: -0.080
local terms energy: -57.754567
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -8.019
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: 7, replica: 4
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -89.146396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.146396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.146396 (E_RNA)
where:
Base-Base interactions energy: -34.562
where: short stacking energy: -34.562
Base-Backbone interact. energy: -0.050
local terms energy: -54.533937
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -10.060
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -6.392
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: 10
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -99.856102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.856102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.856102 (E_RNA)
where:
Base-Base interactions energy: -42.267
where: short stacking energy: -37.832
Base-Backbone interact. energy: -0.030
local terms energy: -57.558843
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -8.502
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: 1
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -75.811379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.811379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.811379 (E_RNA)
where:
Base-Base interactions energy: -25.498
where: short stacking energy: -25.498
Base-Backbone interact. energy: 0.182
local terms energy: -50.495361
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -2.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -92.344271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.344271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.344271 (E_RNA)
where:
Base-Base interactions energy: -34.456
where: short stacking energy: -29.648
Base-Backbone interact. energy: -0.254
local terms energy: -57.634405
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -6.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -197.967887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.967887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.967887 (E_RNA)
where:
Base-Base interactions energy: -124.315
where: short stacking energy: -62.624
Base-Backbone interact. energy: -0.025
local terms energy: -73.627456
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -16.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -186.412362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.412362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.412362 (E_RNA)
where:
Base-Base interactions energy: -120.689
where: short stacking energy: -62.778
Base-Backbone interact. energy: -0.071
local terms energy: -65.652453
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -11.885
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -15.123
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: 2
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -171.439354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.439354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.439354 (E_RNA)
where:
Base-Base interactions energy: -102.314
where: short stacking energy: -60.734
Base-Backbone interact. energy: -1.675
local terms energy: -67.450079
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -12.666
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: 5
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -154.685011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.685011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.685011 (E_RNA)
where:
Base-Base interactions energy: -98.114
where: short stacking energy: -47.068
Base-Backbone interact. energy: -0.097
local terms energy: -56.474397
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: -8.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -178.596011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.596011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.596011 (E_RNA)
where:
Base-Base interactions energy: -110.573
where: short stacking energy: -60.320
Base-Backbone interact. energy: -0.244
local terms energy: -67.779797
where:
bonds (distance) C4'-P energy: -9.966
bonds (distance) P-C4' energy: -10.643
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -18.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -131.698276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.698276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.698276 (E_RNA)
where:
Base-Base interactions energy: -78.930
where: short stacking energy: -35.713
Base-Backbone interact. energy: -1.650
local terms energy: -51.118135
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: -3.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -88.159779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.159779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.159779 (E_RNA)
where:
Base-Base interactions energy: -38.955
where: short stacking energy: -38.666
Base-Backbone interact. energy: -0.108
local terms energy: -49.097213
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -1.838
tors. eta vs tors. theta energy: -6.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -80.393886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.393886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.393886 (E_RNA)
where:
Base-Base interactions energy: -27.233
where: short stacking energy: -23.800
Base-Backbone interact. energy: -0.146
local terms energy: -53.014167
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -16.323
flat angles C4'-P-C4' energy: -10.200
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -3.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -74.975154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.975154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.975154 (E_RNA)
where:
Base-Base interactions energy: -30.391
where: short stacking energy: -30.212
Base-Backbone interact. energy: -0.253
local terms energy: -44.331114
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -8.007
flat angles P-C4'-P energy: -2.534
tors. eta vs tors. theta energy: -2.696
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: 10, replica: 1
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -81.950549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.950549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.950549 (E_RNA)
where:
Base-Base interactions energy: -32.544
where: short stacking energy: -31.509
Base-Backbone interact. energy: -0.134
local terms energy: -49.272991
where:
bonds (distance) C4'-P energy: -8.066
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -8.204
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -6.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -200.748160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.748160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.748160 (E_RNA)
where:
Base-Base interactions energy: -125.248
where: short stacking energy: -71.756
Base-Backbone interact. energy: -0.158
local terms energy: -75.341478
where:
bonds (distance) C4'-P energy: -10.730
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -19.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -201.958134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.958134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.958134 (E_RNA)
where:
Base-Base interactions energy: -124.804
where: short stacking energy: -61.628
Base-Backbone interact. energy: -0.272
local terms energy: -76.882530
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -18.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -166.207994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.207994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.207994 (E_RNA)
where:
Base-Base interactions energy: -106.142
where: short stacking energy: -46.280
Base-Backbone interact. energy: -0.064
local terms energy: -60.002835
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -2.648
tors. eta vs tors. theta energy: -11.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -187.245281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.245281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.245281 (E_RNA)
where:
Base-Base interactions energy: -110.646
where: short stacking energy: -58.926
Base-Backbone interact. energy: -0.013
local terms energy: -76.585955
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -12.138
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: 5, replica: 5
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -164.186333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.186333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.186333 (E_RNA)
where:
Base-Base interactions energy: -99.065
where: short stacking energy: -48.070
Base-Backbone interact. energy: -0.674
local terms energy: -64.446886
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -11.971
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: 435
Temperature: 1.150000
Total energy: -135.280826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.280826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.280826 (E_RNA)
where:
Base-Base interactions energy: -77.236
where: short stacking energy: -43.100
Base-Backbone interact. energy: -1.036
local terms energy: -57.008768
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -9.177
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -6.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -105.312979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.312979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.312979 (E_RNA)
where:
Base-Base interactions energy: -65.036
where: short stacking energy: -26.934
Base-Backbone interact. energy: -0.210
local terms energy: -40.066603
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -4.863
flat angles P-C4'-P energy: -3.566
tors. eta vs tors. theta energy: -4.664
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: 8, replica: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -103.158561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.158561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.158561 (E_RNA)
where:
Base-Base interactions energy: -56.676
where: short stacking energy: -27.144
Base-Backbone interact. energy: -0.086
local terms energy: -46.396610
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -9.199
flat angles C4'-P-C4' energy: -9.160
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -4.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -78.201168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.201168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.201168 (E_RNA)
where:
Base-Base interactions energy: -31.174
where: short stacking energy: -18.030
Base-Backbone interact. energy: -0.123
local terms energy: -46.904182
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -3.114
tors. eta vs tors. theta energy: -1.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -79.821931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.821931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.821931 (E_RNA)
where:
Base-Base interactions energy: -24.909
where: short stacking energy: -24.091
Base-Backbone interact. energy: -0.118
local terms energy: -54.794639
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -6.735
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: 8
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -207.705474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.705474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.705474 (E_RNA)
where:
Base-Base interactions energy: -134.424
where: short stacking energy: -65.368
Base-Backbone interact. energy: -0.187
local terms energy: -73.094933
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -19.265
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: 7
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -188.866044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.866044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.866044 (E_RNA)
where:
Base-Base interactions energy: -117.693
where: short stacking energy: -62.289
Base-Backbone interact. energy: -0.011
local terms energy: -71.161346
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -16.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -180.027503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.027503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.027503 (E_RNA)
where:
Base-Base interactions energy: -113.858
where: short stacking energy: -66.597
Base-Backbone interact. energy: -0.334
local terms energy: -65.836120
where:
bonds (distance) C4'-P energy: -7.728
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -10.533
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -17.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -167.278721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.278721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.278721 (E_RNA)
where:
Base-Base interactions energy: -98.351
where: short stacking energy: -53.499
Base-Backbone interact. energy: -0.003
local terms energy: -68.924748
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -8.034
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: 5, replica: 5
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -162.021817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.021817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.021817 (E_RNA)
where:
Base-Base interactions energy: -108.353
where: short stacking energy: -50.712
Base-Backbone interact. energy: -0.915
local terms energy: -52.754338
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -9.848
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -12.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -125.579553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.579553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.579553 (E_RNA)
where:
Base-Base interactions energy: -75.989
where: short stacking energy: -38.018
Base-Backbone interact. energy: 0.384
local terms energy: -49.974935
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -4.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -79.515399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.515399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.515399 (E_RNA)
where:
Base-Base interactions energy: -29.502
where: short stacking energy: -25.203
Base-Backbone interact. energy: 0.580
local terms energy: -50.593721
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -5.806
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: 8, replica: 10
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -94.009557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.009557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.009557 (E_RNA)
where:
Base-Base interactions energy: -40.079
where: short stacking energy: -40.079
Base-Backbone interact. energy: -0.011
local terms energy: -53.919843
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -6.476
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: 1
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -78.822402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.822402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.822402 (E_RNA)
where:
Base-Base interactions energy: -32.538
where: short stacking energy: -27.892
Base-Backbone interact. energy: -0.289
local terms energy: -45.996046
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -8.454
flat angles P-C4'-P energy: -9.101
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: 4
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -87.089982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.089982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.089982 (E_RNA)
where:
Base-Base interactions energy: -40.229
where: short stacking energy: -38.219
Base-Backbone interact. energy: 0.472
local terms energy: -47.332752
where:
bonds (distance) C4'-P energy: -9.424
bonds (distance) P-C4' energy: -10.058
flat angles C4'-P-C4' energy: -9.020
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -9.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -206.401067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.401067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.401067 (E_RNA)
where:
Base-Base interactions energy: -123.090
where: short stacking energy: -65.800
Base-Backbone interact. energy: -0.021
local terms energy: -83.290411
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -14.013
tors. eta vs tors. theta energy: -19.937
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: 6
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -192.722979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.722979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.722979 (E_RNA)
where:
Base-Base interactions energy: -114.110
where: short stacking energy: -63.861
Base-Backbone interact. energy: -0.084
local terms energy: -78.529312
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -16.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -182.392444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.392444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.392444 (E_RNA)
where:
Base-Base interactions energy: -109.961
where: short stacking energy: -58.858
Base-Backbone interact. energy: -0.005
local terms energy: -72.425834
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -14.189
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -21.038
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: 2
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -159.897314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.897314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.897314 (E_RNA)
where:
Base-Base interactions energy: -101.362
where: short stacking energy: -56.696
Base-Backbone interact. energy: -0.105
local terms energy: -58.430706
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -10.915
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -12.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -154.698993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.698993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.698993 (E_RNA)
where:
Base-Base interactions energy: -90.552
where: short stacking energy: -49.043
Base-Backbone interact. energy: -0.689
local terms energy: -63.458667
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -13.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -111.857906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.857906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.857906 (E_RNA)
where:
Base-Base interactions energy: -59.948
where: short stacking energy: -35.684
Base-Backbone interact. energy: -0.514
local terms energy: -51.395899
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -10.606
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -1.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -83.623439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.623439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.623439 (E_RNA)
where:
Base-Base interactions energy: -38.631
where: short stacking energy: -30.068
Base-Backbone interact. energy: -0.602
local terms energy: -44.390323
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -11.684
flat angles C4'-P-C4' energy: -8.737
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: -4.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -83.927481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.927481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.927481 (E_RNA)
where:
Base-Base interactions energy: -23.775
where: short stacking energy: -23.775
Base-Backbone interact. energy: -0.123
local terms energy: -60.029574
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -12.715
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: 9, replica: 10
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -81.744962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.744962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.744962 (E_RNA)
where:
Base-Base interactions energy: -28.560
where: short stacking energy: -28.560
Base-Backbone interact. energy: 0.904
local terms energy: -54.089173
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -3.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -75.224520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.224520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.224520 (E_RNA)
where:
Base-Base interactions energy: -24.356
where: short stacking energy: -20.805
Base-Backbone interact. energy: -0.129
local terms energy: -50.739514
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -10.812
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: 1, replica: 6
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -192.179637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.179637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.179637 (E_RNA)
where:
Base-Base interactions energy: -121.371
where: short stacking energy: -53.774
Base-Backbone interact. energy: -0.314
local terms energy: -70.494097
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -8.654
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: 2, replica: 8
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -197.180165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.180165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.180165 (E_RNA)
where:
Base-Base interactions energy: -118.531
where: short stacking energy: -66.055
Base-Backbone interact. energy: -1.113
local terms energy: -77.536362
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -10.713
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -19.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -194.249736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.249736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.249736 (E_RNA)
where:
Base-Base interactions energy: -124.091
where: short stacking energy: -61.116
Base-Backbone interact. energy: -0.121
local terms energy: -70.037344
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -18.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -146.866686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.866686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.866686 (E_RNA)
where:
Base-Base interactions energy: -86.413
where: short stacking energy: -38.585
Base-Backbone interact. energy: 0.564
local terms energy: -61.017562
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -11.026
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -9.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -144.517639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.517639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.517639 (E_RNA)
where:
Base-Base interactions energy: -85.907
where: short stacking energy: -53.866
Base-Backbone interact. energy: 0.437
local terms energy: -59.047194
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -10.945
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: 6, replica: 3
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -87.954710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.954710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.954710 (E_RNA)
where:
Base-Base interactions energy: -33.483
where: short stacking energy: -31.899
Base-Backbone interact. energy: -0.807
local terms energy: -53.664954
where:
bonds (distance) C4'-P energy: -9.181
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -6.904
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: 9
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -85.133633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.133633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.133633 (E_RNA)
where:
Base-Base interactions energy: -21.268
where: short stacking energy: -21.268
Base-Backbone interact. energy: -0.130
local terms energy: -63.735096
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -7.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -79.908484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.908484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.908484 (E_RNA)
where:
Base-Base interactions energy: -29.393
where: short stacking energy: -29.393
Base-Backbone interact. energy: -0.215
local terms energy: -50.300683
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -10.104
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -2.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -78.057791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.057791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.057791 (E_RNA)
where:
Base-Base interactions energy: -28.112
where: short stacking energy: -26.621
Base-Backbone interact. energy: -0.022
local terms energy: -49.924104
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -10.815
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -3.113
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: 438
Temperature: 1.350000
Total energy: -77.674609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.674609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.674609 (E_RNA)
where:
Base-Base interactions energy: -30.274
where: short stacking energy: -28.768
Base-Backbone interact. energy: -0.160
local terms energy: -47.240802
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -10.357
flat angles C4'-P-C4' energy: -9.364
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -6.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -203.922460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.922460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.922460 (E_RNA)
where:
Base-Base interactions energy: -133.349
where: short stacking energy: -60.456
Base-Backbone interact. energy: -0.126
local terms energy: -70.446857
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -10.125
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: 2, replica: 7
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -182.646493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.646493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.646493 (E_RNA)
where:
Base-Base interactions energy: -107.668
where: short stacking energy: -58.021
Base-Backbone interact. energy: -0.000
local terms energy: -74.978532
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -14.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -185.783999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.783999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.783999 (E_RNA)
where:
Base-Base interactions energy: -113.922
where: short stacking energy: -60.322
Base-Backbone interact. energy: -0.138
local terms energy: -71.724023
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -18.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -164.302231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.302231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.302231 (E_RNA)
where:
Base-Base interactions energy: -92.982
where: short stacking energy: -53.600
Base-Backbone interact. energy: -0.154
local terms energy: -71.165522
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -12.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -155.098745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.098745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.098745 (E_RNA)
where:
Base-Base interactions energy: -89.856
where: short stacking energy: -50.344
Base-Backbone interact. energy: -0.294
local terms energy: -64.949449
where:
bonds (distance) C4'-P energy: -9.251
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -14.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -88.052411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.052411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.052411 (E_RNA)
where:
Base-Base interactions energy: -34.218
where: short stacking energy: -27.929
Base-Backbone interact. energy: -0.582
local terms energy: -53.252287
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -1.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -102.901660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.901660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.901660 (E_RNA)
where:
Base-Base interactions energy: -47.342
where: short stacking energy: -46.087
Base-Backbone interact. energy: -0.169
local terms energy: -55.390584
where:
bonds (distance) C4'-P energy: -9.740
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -7.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -93.489753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.489753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.489753 (E_RNA)
where:
Base-Base interactions energy: -33.387
where: short stacking energy: -33.387
Base-Backbone interact. energy: -0.093
local terms energy: -60.009935
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -8.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -91.479968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.479968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.479968 (E_RNA)
where:
Base-Base interactions energy: -40.596
where: short stacking energy: -35.453
Base-Backbone interact. energy: -0.080
local terms energy: -50.804451
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -12.417
flat angles C4'-P-C4' energy: -11.106
flat angles P-C4'-P energy: -5.074
tors. eta vs tors. theta energy: -7.300
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: 439
Temperature: 1.350000
Total energy: -80.115778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.115778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.115778 (E_RNA)
where:
Base-Base interactions energy: -26.378
where: short stacking energy: -26.378
Base-Backbone interact. energy: -0.018
local terms energy: -53.719641
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -5.024
tors. eta vs tors. theta energy: -1.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -196.448348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.448348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.448348 (E_RNA)
where:
Base-Base interactions energy: -126.589
where: short stacking energy: -63.695
Base-Backbone interact. energy: -0.021
local terms energy: -69.837511
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -17.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -195.428256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.428256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.428256 (E_RNA)
where:
Base-Base interactions energy: -121.346
where: short stacking energy: -65.566
Base-Backbone interact. energy: -0.056
local terms energy: -74.025948
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -20.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -154.633844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.633844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.633844 (E_RNA)
where:
Base-Base interactions energy: -95.028
where: short stacking energy: -54.863
Base-Backbone interact. energy: -0.289
local terms energy: -59.316373
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -9.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -185.947526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.947526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.947526 (E_RNA)
where:
Base-Base interactions energy: -122.275
where: short stacking energy: -62.782
Base-Backbone interact. energy: -0.578
local terms energy: -63.095002
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -15.785
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: 440
Temperature: 1.100000
Total energy: -170.500681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.500681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.500681 (E_RNA)
where:
Base-Base interactions energy: -109.891
where: short stacking energy: -53.008
Base-Backbone interact. energy: -0.222
local terms energy: -60.387827
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -11.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -94.789509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.789509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.789509 (E_RNA)
where:
Base-Base interactions energy: -35.023
where: short stacking energy: -26.486
Base-Backbone interact. energy: 2.236
local terms energy: -62.002876
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -6.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -91.340684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.340684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.340684 (E_RNA)
where:
Base-Base interactions energy: -37.225
where: short stacking energy: -37.225
Base-Backbone interact. energy: -0.745
local terms energy: -53.370740
where:
bonds (distance) C4'-P energy: -8.155
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -3.182
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -12.892
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: 3
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -100.793684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.793684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.793684 (E_RNA)
where:
Base-Base interactions energy: -46.966
where: short stacking energy: -42.859
Base-Backbone interact. energy: -0.156
local terms energy: -53.672063
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -12.593
flat angles C4'-P-C4' energy: -9.837
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -6.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -82.930383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.930383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.930383 (E_RNA)
where:
Base-Base interactions energy: -31.059
where: short stacking energy: -26.750
Base-Backbone interact. energy: -0.021
local terms energy: -51.850110
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -9.469
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: 4
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -78.176196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.176196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.176196 (E_RNA)
where:
Base-Base interactions energy: -36.399
where: short stacking energy: -26.897
Base-Backbone interact. energy: -0.461
local terms energy: -41.316100
where:
bonds (distance) C4'-P energy: -9.344
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -5.761
flat angles P-C4'-P energy: -10.523
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: 1, replica: 7
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -191.999272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.999272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.999272 (E_RNA)
where:
Base-Base interactions energy: -114.367
where: short stacking energy: -63.081
Base-Backbone interact. energy: -0.098
local terms energy: -77.534892
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -18.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -203.944170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.944170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.944170 (E_RNA)
where:
Base-Base interactions energy: -136.229
where: short stacking energy: -67.307
Base-Backbone interact. energy: -1.461
local terms energy: -66.254404
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -9.334
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -17.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -162.564580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.564580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.564580 (E_RNA)
where:
Base-Base interactions energy: -96.961
where: short stacking energy: -53.075
Base-Backbone interact. energy: -0.008
local terms energy: -65.595522
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -11.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -180.609025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.609025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.609025 (E_RNA)
where:
Base-Base interactions energy: -101.608
where: short stacking energy: -55.479
Base-Backbone interact. energy: -0.385
local terms energy: -78.615431
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -14.713
tors. eta vs tors. theta energy: -18.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -152.264342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.264342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.264342 (E_RNA)
where:
Base-Base interactions energy: -86.718
where: short stacking energy: -35.366
Base-Backbone interact. energy: -0.208
local terms energy: -65.338654
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -12.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -102.913708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.913708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.913708 (E_RNA)
where:
Base-Base interactions energy: -46.726
where: short stacking energy: -43.113
Base-Backbone interact. energy: -0.092
local terms energy: -56.095925
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -10.791
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -6.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -94.827181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.827181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.827181 (E_RNA)
where:
Base-Base interactions energy: -40.407
where: short stacking energy: -33.723
Base-Backbone interact. energy: -0.009
local terms energy: -54.411162
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -4.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -93.317429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.317429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.317429 (E_RNA)
where:
Base-Base interactions energy: -39.827
where: short stacking energy: -33.653
Base-Backbone interact. energy: -0.140
local terms energy: -53.349990
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -4.484
tors. eta vs tors. theta energy: -6.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -107.128691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.128691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.128691 (E_RNA)
where:
Base-Base interactions energy: -55.353
where: short stacking energy: -28.297
Base-Backbone interact. energy: -0.292
local terms energy: -51.483455
where:
bonds (distance) C4'-P energy: -10.158
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -7.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -73.598222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.598222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.598222 (E_RNA)
where:
Base-Base interactions energy: -27.793
where: short stacking energy: -23.907
Base-Backbone interact. energy: 0.464
local terms energy: -46.268585
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -9.329
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: 1.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -216.559893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.559893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.559893 (E_RNA)
where:
Base-Base interactions energy: -137.418
where: short stacking energy: -67.909
Base-Backbone interact. energy: -0.636
local terms energy: -78.505990
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -18.509
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -19.923
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: 7
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -183.140335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.140335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.140335 (E_RNA)
where:
Base-Base interactions energy: -112.868
where: short stacking energy: -49.643
Base-Backbone interact. energy: -0.094
local terms energy: -70.177917
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -9.566
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: 3, replica: 8
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -198.438397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.438397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.438397 (E_RNA)
where:
Base-Base interactions energy: -127.015
where: short stacking energy: -61.887
Base-Backbone interact. energy: -0.714
local terms energy: -70.708777
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -19.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -166.810083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.810083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.810083 (E_RNA)
where:
Base-Base interactions energy: -103.197
where: short stacking energy: -57.035
Base-Backbone interact. energy: -0.153
local terms energy: -63.460730
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -10.333
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -14.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -135.750954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.750954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.750954 (E_RNA)
where:
Base-Base interactions energy: -79.242
where: short stacking energy: -44.342
Base-Backbone interact. energy: -0.186
local terms energy: -56.322767
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -8.009
flat angles C4'-P-C4' energy: -11.133
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -10.517
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: 2
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -134.718251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.718251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.718251 (E_RNA)
where:
Base-Base interactions energy: -79.508
where: short stacking energy: -41.730
Base-Backbone interact. energy: -0.069
local terms energy: -55.141835
where:
bonds (distance) C4'-P energy: -9.830
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -4.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -79.486159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.486159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.486159 (E_RNA)
where:
Base-Base interactions energy: -27.352
where: short stacking energy: -20.659
Base-Backbone interact. energy: -0.204
local terms energy: -51.930290
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -10.211
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -2.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -92.974516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.974516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.974516 (E_RNA)
where:
Base-Base interactions energy: -39.191
where: short stacking energy: -26.316
Base-Backbone interact. energy: -0.231
local terms energy: -53.552541
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -6.886
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: 9, replica: 4
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -89.168113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.168113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.168113 (E_RNA)
where:
Base-Base interactions energy: -41.495
where: short stacking energy: -33.699
Base-Backbone interact. energy: 1.231
local terms energy: -48.904119
where:
bonds (distance) C4'-P energy: -7.786
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -9.830
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -9.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -69.466297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.466297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.466297 (E_RNA)
where:
Base-Base interactions energy: -27.380
where: short stacking energy: -25.988
Base-Backbone interact. energy: 0.122
local terms energy: -42.208438
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -9.301
flat angles P-C4'-P energy: -3.557
tors. eta vs tors. theta energy: 2.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -205.877225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.877225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.877225 (E_RNA)
where:
Base-Base interactions energy: -123.933
where: short stacking energy: -65.554
Base-Backbone interact. energy: -0.078
local terms energy: -81.866837
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -19.183
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: 7
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -177.272317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.272317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.272317 (E_RNA)
where:
Base-Base interactions energy: -105.663
where: short stacking energy: -56.242
Base-Backbone interact. energy: -0.128
local terms energy: -71.480899
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -9.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -192.936198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.936198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.936198 (E_RNA)
where:
Base-Base interactions energy: -114.320
where: short stacking energy: -61.512
Base-Backbone interact. energy: -0.246
local terms energy: -78.370422
where:
bonds (distance) C4'-P energy: -12.697
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -17.532
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -21.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -144.321549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.321549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.321549 (E_RNA)
where:
Base-Base interactions energy: -83.243
where: short stacking energy: -40.983
Base-Backbone interact. energy: 0.329
local terms energy: -61.407840
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -11.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -158.276881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.276881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.276881 (E_RNA)
where:
Base-Base interactions energy: -93.221
where: short stacking energy: -40.384
Base-Backbone interact. energy: -0.904
local terms energy: -64.151713
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -8.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -139.899844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.899844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.899844 (E_RNA)
where:
Base-Base interactions energy: -84.065
where: short stacking energy: -45.498
Base-Backbone interact. energy: -0.180
local terms energy: -55.654831
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -7.491
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: 10
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -98.562192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.562192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.562192 (E_RNA)
where:
Base-Base interactions energy: -44.065
where: short stacking energy: -40.658
Base-Backbone interact. energy: -0.010
local terms energy: -54.487654
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -4.908
tors. eta vs tors. theta energy: -8.265
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: 4
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -94.461249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.461249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.461249 (E_RNA)
where:
Base-Base interactions energy: -42.855
where: short stacking energy: -35.182
Base-Backbone interact. energy: -0.162
local terms energy: -51.444309
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -4.699
tors. eta vs tors. theta energy: -6.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -80.634319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.634319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.634319 (E_RNA)
where:
Base-Base interactions energy: -37.881
where: short stacking energy: -29.754
Base-Backbone interact. energy: -1.427
local terms energy: -41.326122
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -10.028
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -1.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -75.340535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.340535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.340535 (E_RNA)
where:
Base-Base interactions energy: -23.853
where: short stacking energy: -23.853
Base-Backbone interact. energy: 0.470
local terms energy: -51.957490
where:
bonds (distance) C4'-P energy: -10.376
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -4.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -198.410319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.410319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.410319 (E_RNA)
where:
Base-Base interactions energy: -115.287
where: short stacking energy: -65.203
Base-Backbone interact. energy: 0.324
local terms energy: -83.447157
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -16.785
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -21.263
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: 7
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -175.647320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.647320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.647320 (E_RNA)
where:
Base-Base interactions energy: -106.815
where: short stacking energy: -63.191
Base-Backbone interact. energy: -0.313
local terms energy: -68.519631
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -16.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -199.011683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.011683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.011683 (E_RNA)
where:
Base-Base interactions energy: -131.866
where: short stacking energy: -63.003
Base-Backbone interact. energy: -0.084
local terms energy: -67.061332
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -15.235
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -14.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -176.228424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.228424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.228424 (E_RNA)
where:
Base-Base interactions energy: -106.922
where: short stacking energy: -54.724
Base-Backbone interact. energy: -0.120
local terms energy: -69.186404
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -12.132
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: 5
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -147.827311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.827311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.827311 (E_RNA)
where:
Base-Base interactions energy: -88.072
where: short stacking energy: -46.344
Base-Backbone interact. energy: -0.441
local terms energy: -59.313896
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -10.264
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -8.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -97.060864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.060864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.060864 (E_RNA)
where:
Base-Base interactions energy: -49.526
where: short stacking energy: -27.402
Base-Backbone interact. energy: -0.262
local terms energy: -47.273564
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: 1.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -84.186126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.186126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.186126 (E_RNA)
where:
Base-Base interactions energy: -34.336
where: short stacking energy: -34.336
Base-Backbone interact. energy: -0.037
local terms energy: -49.812581
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -4.246
tors. eta vs tors. theta energy: -4.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -81.376225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.376225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.376225 (E_RNA)
where:
Base-Base interactions energy: -30.267
where: short stacking energy: -30.267
Base-Backbone interact. energy: 0.462
local terms energy: -51.570874
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -9.661
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -8.276
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: 3
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -81.440423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.440423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.440423 (E_RNA)
where:
Base-Base interactions energy: -29.701
where: short stacking energy: -29.701
Base-Backbone interact. energy: 0.263
local terms energy: -52.002207
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -6.767
tors. eta vs tors. theta energy: -6.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -75.827946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.827946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.827946 (E_RNA)
where:
Base-Base interactions energy: -28.765
where: short stacking energy: -27.115
Base-Backbone interact. energy: 0.272
local terms energy: -47.334257
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -8.524
flat angles P-C4'-P energy: -3.516
tors. eta vs tors. theta energy: -3.133
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: 1, replica: 6
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -198.279575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.279575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.279575 (E_RNA)
where:
Base-Base interactions energy: -128.431
where: short stacking energy: -58.549
Base-Backbone interact. energy: -0.043
local terms energy: -69.805825
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -12.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -193.655881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.655881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.655881 (E_RNA)
where:
Base-Base interactions energy: -113.313
where: short stacking energy: -68.042
Base-Backbone interact. energy: -0.883
local terms energy: -79.460005
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -19.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -178.957479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.957479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.957479 (E_RNA)
where:
Base-Base interactions energy: -119.584
where: short stacking energy: -55.495
Base-Backbone interact. energy: -0.239
local terms energy: -59.134063
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -12.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -180.303130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.303130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.303130 (E_RNA)
where:
Base-Base interactions energy: -107.385
where: short stacking energy: -58.191
Base-Backbone interact. energy: -0.119
local terms energy: -72.799057
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -20.403
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: 5
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -143.546778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.546778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.546778 (E_RNA)
where:
Base-Base interactions energy: -84.778
where: short stacking energy: -43.134
Base-Backbone interact. energy: 0.060
local terms energy: -58.828738
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -8.937
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: 6, replica: 10
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -115.278795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.278795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.278795 (E_RNA)
where:
Base-Base interactions energy: -58.062
where: short stacking energy: -44.031
Base-Backbone interact. energy: -0.146
local terms energy: -57.070998
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -9.609
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -9.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -99.655120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.655120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.655120 (E_RNA)
where:
Base-Base interactions energy: -48.500
where: short stacking energy: -30.365
Base-Backbone interact. energy: -0.674
local terms energy: -50.480516
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: -2.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -81.173750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.173750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.173750 (E_RNA)
where:
Base-Base interactions energy: -36.654
where: short stacking energy: -28.896
Base-Backbone interact. energy: -0.060
local terms energy: -44.459824
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -8.822
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -1.231
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: 4
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -84.067268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.067268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.067268 (E_RNA)
where:
Base-Base interactions energy: -24.050
where: short stacking energy: -20.094
Base-Backbone interact. energy: -0.475
local terms energy: -59.541878
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -10.510
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -104.316313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.316313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.316313 (E_RNA)
where:
Base-Base interactions energy: -58.313
where: short stacking energy: -28.472
Base-Backbone interact. energy: -0.180
local terms energy: -45.823426
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -12.761
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -5.711
tors. eta vs tors. theta energy: -0.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -205.120981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.120981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.120981 (E_RNA)
where:
Base-Base interactions energy: -129.820
where: short stacking energy: -62.881
Base-Backbone interact. energy: -0.412
local terms energy: -74.888351
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -16.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -177.731988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.731988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.731988 (E_RNA)
where:
Base-Base interactions energy: -108.968
where: short stacking energy: -52.933
Base-Backbone interact. energy: -0.294
local terms energy: -68.469920
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -14.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -177.559339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.559339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.559339 (E_RNA)
where:
Base-Base interactions energy: -110.577
where: short stacking energy: -60.471
Base-Backbone interact. energy: -0.642
local terms energy: -66.340191
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -13.428
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: 8
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -184.696472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.696472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.696472 (E_RNA)
where:
Base-Base interactions energy: -114.961
where: short stacking energy: -47.759
Base-Backbone interact. energy: -0.337
local terms energy: -69.398498
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -14.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -144.106283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.106283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.106283 (E_RNA)
where:
Base-Base interactions energy: -88.060
where: short stacking energy: -57.566
Base-Backbone interact. energy: -0.086
local terms energy: -55.960255
where:
bonds (distance) C4'-P energy: -9.500
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -10.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -114.880017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.880017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.880017 (E_RNA)
where:
Base-Base interactions energy: -49.594
where: short stacking energy: -44.309
Base-Backbone interact. energy: -0.063
local terms energy: -65.222425
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -10.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -94.803901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.803901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.803901 (E_RNA)
where:
Base-Base interactions energy: -51.818
where: short stacking energy: -32.375
Base-Backbone interact. energy: 0.190
local terms energy: -43.175646
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -7.164
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -0.303
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: 8, replica: 2
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -79.170745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.170745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.170745 (E_RNA)
where:
Base-Base interactions energy: -27.622
where: short stacking energy: -27.622
Base-Backbone interact. energy: -0.163
local terms energy: -51.386171
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -6.526
tors. eta vs tors. theta energy: -1.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -92.674250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.674250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.674250 (E_RNA)
where:
Base-Base interactions energy: -45.193
where: short stacking energy: -20.559
Base-Backbone interact. energy: -0.560
local terms energy: -46.921050
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -9.259
flat angles P-C4'-P energy: -5.808
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: 4
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -84.183990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.183990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.183990 (E_RNA)
where:
Base-Base interactions energy: -36.721
where: short stacking energy: -22.464
Base-Backbone interact. energy: -0.103
local terms energy: -47.360109
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -3.928
tors. eta vs tors. theta energy: -2.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -207.006919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.006919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.006919 (E_RNA)
where:
Base-Base interactions energy: -131.387
where: short stacking energy: -65.704
Base-Backbone interact. energy: -0.190
local terms energy: -75.429828
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -19.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -194.744859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.744859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.744859 (E_RNA)
where:
Base-Base interactions energy: -117.791
where: short stacking energy: -57.331
Base-Backbone interact. energy: -1.005
local terms energy: -75.948340
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -18.029
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: 7
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -182.978310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.978310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.978310 (E_RNA)
where:
Base-Base interactions energy: -111.075
where: short stacking energy: -66.082
Base-Backbone interact. energy: 0.259
local terms energy: -72.162365
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -21.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -181.154033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.154033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.154033 (E_RNA)
where:
Base-Base interactions energy: -112.799
where: short stacking energy: -57.098
Base-Backbone interact. energy: -0.198
local terms energy: -68.157599
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -15.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -159.317052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.317052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.317052 (E_RNA)
where:
Base-Base interactions energy: -99.026
where: short stacking energy: -48.797
Base-Backbone interact. energy: 2.652
local terms energy: -62.942243
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -16.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -96.899831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.899831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.899831 (E_RNA)
where:
Base-Base interactions energy: -47.233
where: short stacking energy: -40.196
Base-Backbone interact. energy: -0.433
local terms energy: -49.233702
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -4.747
tors. eta vs tors. theta energy: -3.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -97.525223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.525223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.525223 (E_RNA)
where:
Base-Base interactions energy: -43.661
where: short stacking energy: -34.562
Base-Backbone interact. energy: -0.150
local terms energy: -53.714617
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -4.830
tors. eta vs tors. theta energy: -7.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -87.650549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.650549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.650549 (E_RNA)
where:
Base-Base interactions energy: -33.896
where: short stacking energy: -33.896
Base-Backbone interact. energy: -0.060
local terms energy: -53.693948
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -7.470
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: 2
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -75.424148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.424148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.424148 (E_RNA)
where:
Base-Base interactions energy: -31.622
where: short stacking energy: -26.296
Base-Backbone interact. energy: -0.094
local terms energy: -43.709077
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -9.800
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -0.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -75.128363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.128363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.128363 (E_RNA)
where:
Base-Base interactions energy: -21.510
where: short stacking energy: -17.248
Base-Backbone interact. energy: -0.234
local terms energy: -53.385243
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -6.069
tors. eta vs tors. theta energy: -4.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -198.942524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.942524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.942524 (E_RNA)
where:
Base-Base interactions energy: -131.159
where: short stacking energy: -68.124
Base-Backbone interact. energy: -0.633
local terms energy: -67.150526
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -3.598
tors. eta vs tors. theta energy: -20.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -203.108975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.108975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.108975 (E_RNA)
where:
Base-Base interactions energy: -126.144
where: short stacking energy: -61.713
Base-Backbone interact. energy: -0.044
local terms energy: -76.921068
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -16.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -185.749831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.749831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.749831 (E_RNA)
where:
Base-Base interactions energy: -119.116
where: short stacking energy: -66.926
Base-Backbone interact. energy: -0.341
local terms energy: -66.293085
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -10.824
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -18.090
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: 7
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -177.376106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.376106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.376106 (E_RNA)
where:
Base-Base interactions energy: -112.271
where: short stacking energy: -54.890
Base-Backbone interact. energy: -0.100
local terms energy: -65.005538
where:
bonds (distance) C4'-P energy: -11.472
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -12.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -160.896534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.896534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.896534 (E_RNA)
where:
Base-Base interactions energy: -97.360
where: short stacking energy: -55.322
Base-Backbone interact. energy: 0.484
local terms energy: -64.020939
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -6.124
tors. eta vs tors. theta energy: -17.225
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: 448
Temperature: 1.150000
Total energy: -118.685517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.685517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.685517 (E_RNA)
where:
Base-Base interactions energy: -69.448
where: short stacking energy: -33.719
Base-Backbone interact. energy: -0.201
local terms energy: -49.036183
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: 2.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -89.782802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.782802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.782802 (E_RNA)
where:
Base-Base interactions energy: -35.009
where: short stacking energy: -30.713
Base-Backbone interact. energy: -0.208
local terms energy: -54.565978
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -2.529
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: 8, replica: 9
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -82.007495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.007495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.007495 (E_RNA)
where:
Base-Base interactions energy: -32.198
where: short stacking energy: -31.544
Base-Backbone interact. energy: -0.183
local terms energy: -49.626885
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -6.176
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -5.899
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: 9, replica: 4
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -76.993489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.993489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.993489 (E_RNA)
where:
Base-Base interactions energy: -29.690
where: short stacking energy: -14.016
Base-Backbone interact. energy: -0.404
local terms energy: -46.899250
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -10.146
flat angles C4'-P-C4' energy: -10.479
flat angles P-C4'-P energy: -8.762
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: 2
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -84.579815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.579815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.579815 (E_RNA)
where:
Base-Base interactions energy: -37.733
where: short stacking energy: -25.741
Base-Backbone interact. energy: -0.123
local terms energy: -46.723582
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -2.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -204.627150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.627150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.627150 (E_RNA)
where:
Base-Base interactions energy: -121.889
where: short stacking energy: -63.267
Base-Backbone interact. energy: -0.029
local terms energy: -82.709508
where:
bonds (distance) C4'-P energy: -17.397
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -18.960
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: 6
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -192.435396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.435396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.435396 (E_RNA)
where:
Base-Base interactions energy: -119.573
where: short stacking energy: -50.162
Base-Backbone interact. energy: -0.125
local terms energy: -72.737290
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -17.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -188.085330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.085330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.085330 (E_RNA)
where:
Base-Base interactions energy: -116.065
where: short stacking energy: -64.420
Base-Backbone interact. energy: -0.141
local terms energy: -71.879553
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -13.481
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -18.217
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: 449
Temperature: 1.050000
Total energy: -168.178711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.178711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.178711 (E_RNA)
where:
Base-Base interactions energy: -110.640
where: short stacking energy: -59.728
Base-Backbone interact. energy: -0.085
local terms energy: -57.453596
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -14.153
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: 7
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -177.642763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.642763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.642763 (E_RNA)
where:
Base-Base interactions energy: -114.232
where: short stacking energy: -53.683
Base-Backbone interact. energy: -0.024
local terms energy: -63.386612
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -10.192
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -13.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -97.653586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.653586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.653586 (E_RNA)
where:
Base-Base interactions energy: -40.121
where: short stacking energy: -33.779
Base-Backbone interact. energy: 0.053
local terms energy: -57.586451
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -5.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -99.542502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.542502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.542502 (E_RNA)
where:
Base-Base interactions energy: -55.033
where: short stacking energy: -32.076
Base-Backbone interact. energy: -0.117
local terms energy: -44.392656
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -5.048
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -3.364
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: 9
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -85.276918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.276918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.276918 (E_RNA)
where:
Base-Base interactions energy: -32.738
where: short stacking energy: -28.482
Base-Backbone interact. energy: -0.225
local terms energy: -52.314435
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -1.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -75.056203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.056203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.056203 (E_RNA)
where:
Base-Base interactions energy: -29.117
where: short stacking energy: -17.424
Base-Backbone interact. energy: -0.060
local terms energy: -45.878407
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -19.399
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -2.182
tors. eta vs tors. theta energy: 4.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -73.756783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.756783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.756783 (E_RNA)
where:
Base-Base interactions energy: -20.246
where: short stacking energy: -20.246
Base-Backbone interact. energy: -0.096
local terms energy: -53.415501
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -10.268
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -2.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -203.320318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.320318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.320318 (E_RNA)
where:
Base-Base interactions energy: -124.081
where: short stacking energy: -70.418
Base-Backbone interact. energy: -0.284
local terms energy: -78.955811
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -19.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -192.448202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.448202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.448202 (E_RNA)
where:
Base-Base interactions energy: -113.720
where: short stacking energy: -62.425
Base-Backbone interact. energy: -0.000
local terms energy: -78.727753
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -20.697
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: 8
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -195.102530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.102530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.102530 (E_RNA)
where:
Base-Base interactions energy: -118.195
where: short stacking energy: -64.623
Base-Backbone interact. energy: -0.013
local terms energy: -76.894508
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -17.885
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: 450
Temperature: 1.050000
Total energy: -153.534824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.534824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.534824 (E_RNA)
where:
Base-Base interactions energy: -92.947
where: short stacking energy: -42.905
Base-Backbone interact. energy: -0.069
local terms energy: -60.519584
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -7.495
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: 5, replica: 7
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -159.863703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.863703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.863703 (E_RNA)
where:
Base-Base interactions energy: -90.064
where: short stacking energy: -53.032
Base-Backbone interact. energy: -0.001
local terms energy: -69.798078
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: -16.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -87.153377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.153377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.153377 (E_RNA)
where:
Base-Base interactions energy: -34.154
where: short stacking energy: -20.762
Base-Backbone interact. energy: 0.201
local terms energy: -53.200020
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: 1.183
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: 7, replica: 9
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -92.133837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.133837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.133837 (E_RNA)
where:
Base-Base interactions energy: -34.761
where: short stacking energy: -34.761
Base-Backbone interact. energy: -0.003
local terms energy: -57.369594
where:
bonds (distance) C4'-P energy: -8.414
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -9.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -101.180717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.180717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.180717 (E_RNA)
where:
Base-Base interactions energy: -52.105
where: short stacking energy: -24.882
Base-Backbone interact. energy: -0.151
local terms energy: -48.924259
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -1.033
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: 9, replica: 2
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -86.433398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.433398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.433398 (E_RNA)
where:
Base-Base interactions energy: -32.840
where: short stacking energy: -27.947
Base-Backbone interact. energy: -0.372
local terms energy: -53.220650
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -6.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -75.507592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.507592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.507592 (E_RNA)
where:
Base-Base interactions energy: -28.308
where: short stacking energy: -26.488
Base-Backbone interact. energy: -0.598
local terms energy: -46.601629
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -8.538
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -2.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -196.442557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.442557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.442557 (E_RNA)
where:
Base-Base interactions energy: -122.002
where: short stacking energy: -65.593
Base-Backbone interact. energy: -0.778
local terms energy: -73.662831
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -15.595
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: 8
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -194.697486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.697486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.697486 (E_RNA)
where:
Base-Base interactions energy: -123.357
where: short stacking energy: -71.565
Base-Backbone interact. energy: -0.015
local terms energy: -71.324878
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -19.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -176.112788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.112788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.112788 (E_RNA)
where:
Base-Base interactions energy: -111.217
where: short stacking energy: -57.133
Base-Backbone interact. energy: -0.008
local terms energy: -64.887541
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -14.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -178.283124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.283124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.283124 (E_RNA)
where:
Base-Base interactions energy: -108.121
where: short stacking energy: -58.212
Base-Backbone interact. energy: -0.247
local terms energy: -69.914711
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -11.140
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -14.566
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: 5, replica: 7
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -137.506316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.506316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.506316 (E_RNA)
where:
Base-Base interactions energy: -80.562
where: short stacking energy: -30.833
Base-Backbone interact. energy: -0.224
local terms energy: -56.720105
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -8.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -90.978233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.978233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.978233 (E_RNA)
where:
Base-Base interactions energy: -46.538
where: short stacking energy: -38.061
Base-Backbone interact. energy: 0.529
local terms energy: -44.968649
where:
bonds (distance) C4'-P energy: -9.516
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -9.828
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -3.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -82.337479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.337479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.337479 (E_RNA)
where:
Base-Base interactions energy: -36.478
where: short stacking energy: -31.815
Base-Backbone interact. energy: -0.192
local terms energy: -45.667606
where:
bonds (distance) C4'-P energy: -9.310
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -9.325
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -2.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -84.496319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.496319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.496319 (E_RNA)
where:
Base-Base interactions energy: -46.711
where: short stacking energy: -36.658
Base-Backbone interact. energy: -0.123
local terms energy: -37.661915
where:
bonds (distance) C4'-P energy: -9.909
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -8.390
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: 1.130
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: 3
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -81.428424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.428424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.428424 (E_RNA)
where:
Base-Base interactions energy: -29.122
where: short stacking energy: -18.719
Base-Backbone interact. energy: 1.379
local terms energy: -53.685590
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: -1.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -75.178503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.178503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.178503 (E_RNA)
where:
Base-Base interactions energy: -24.449
where: short stacking energy: -23.553
Base-Backbone interact. energy: -0.416
local terms energy: -50.313394
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: 1.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -201.985846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.985846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.985846 (E_RNA)
where:
Base-Base interactions energy: -123.529
where: short stacking energy: -70.131
Base-Backbone interact. energy: -0.603
local terms energy: -77.853291
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -22.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -197.643709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.643709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.643709 (E_RNA)
where:
Base-Base interactions energy: -121.709
where: short stacking energy: -61.565
Base-Backbone interact. energy: -0.015
local terms energy: -75.919736
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -15.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -200.668134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.668134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.668134 (E_RNA)
where:
Base-Base interactions energy: -136.150
where: short stacking energy: -58.881
Base-Backbone interact. energy: -0.193
local terms energy: -64.324556
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -14.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -179.256643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.256643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.256643 (E_RNA)
where:
Base-Base interactions energy: -111.319
where: short stacking energy: -49.803
Base-Backbone interact. energy: -0.398
local terms energy: -67.539570
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -13.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -95.407636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.407636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.407636 (E_RNA)
where:
Base-Base interactions energy: -38.282
where: short stacking energy: -38.282
Base-Backbone interact. energy: 1.227
local terms energy: -58.352689
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -10.357
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: 6, replica: 7
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -143.195115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.195115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.195115 (E_RNA)
where:
Base-Base interactions energy: -87.449
where: short stacking energy: -52.566
Base-Backbone interact. energy: -0.231
local terms energy: -55.515154
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -7.081
tors. eta vs tors. theta energy: -12.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -87.907137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.907137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.907137 (E_RNA)
where:
Base-Base interactions energy: -32.488
where: short stacking energy: -33.288
Base-Backbone interact. energy: -0.650
local terms energy: -54.768906
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -2.379
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: 8, replica: 10
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -84.471272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.471272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.471272 (E_RNA)
where:
Base-Base interactions energy: -27.257
where: short stacking energy: -26.046
Base-Backbone interact. energy: -0.822
local terms energy: -56.391874
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -5.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -74.830325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.830325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.830325 (E_RNA)
where:
Base-Base interactions energy: -29.109
where: short stacking energy: -29.109
Base-Backbone interact. energy: 1.054
local terms energy: -46.775666
where:
bonds (distance) C4'-P energy: -7.454
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -9.353
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: 10, replica: 4
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -77.353935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.353935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.353935 (E_RNA)
where:
Base-Base interactions energy: -37.201
where: short stacking energy: -19.975
Base-Backbone interact. energy: 1.354
local terms energy: -41.506904
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -10.409
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: 0.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -205.409889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.409889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.409889 (E_RNA)
where:
Base-Base interactions energy: -124.374
where: short stacking energy: -68.216
Base-Backbone interact. energy: -0.646
local terms energy: -80.390111
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -21.163
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: 6
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -201.346877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.346877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.346877 (E_RNA)
where:
Base-Base interactions energy: -138.226
where: short stacking energy: -63.702
Base-Backbone interact. energy: -0.085
local terms energy: -63.036135
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -10.475
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -16.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -203.723770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.723770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.723770 (E_RNA)
where:
Base-Base interactions energy: -128.506
where: short stacking energy: -62.943
Base-Backbone interact. energy: -0.069
local terms energy: -75.148358
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -20.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -182.351899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.351899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.351899 (E_RNA)
where:
Base-Base interactions energy: -110.864
where: short stacking energy: -59.295
Base-Backbone interact. energy: -0.002
local terms energy: -71.485462
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -19.184
flat angles P-C4'-P energy: -5.170
tors. eta vs tors. theta energy: -16.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -93.896145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.896145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.896145 (E_RNA)
where:
Base-Base interactions energy: -36.394
where: short stacking energy: -35.599
Base-Backbone interact. energy: -0.037
local terms energy: -57.465172
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -11.521
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -2.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -158.755468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.755468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.755468 (E_RNA)
where:
Base-Base interactions energy: -91.992
where: short stacking energy: -53.758
Base-Backbone interact. energy: -0.946
local terms energy: -65.817952
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -12.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -97.619913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.619913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.619913 (E_RNA)
where:
Base-Base interactions energy: -35.505
where: short stacking energy: -32.750
Base-Backbone interact. energy: -0.095
local terms energy: -62.020448
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -6.598
tors. eta vs tors. theta energy: -9.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -85.787408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.787408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.787408 (E_RNA)
where:
Base-Base interactions energy: -40.297
where: short stacking energy: -31.770
Base-Backbone interact. energy: -0.254
local terms energy: -45.237092
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -4.147
tors. eta vs tors. theta energy: -5.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -88.485550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.485550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.485550 (E_RNA)
where:
Base-Base interactions energy: -36.938
where: short stacking energy: -36.938
Base-Backbone interact. energy: -0.011
local terms energy: -51.536752
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -8.662
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -5.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -86.088774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.088774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.088774 (E_RNA)
where:
Base-Base interactions energy: -34.883
where: short stacking energy: -32.966
Base-Backbone interact. energy: -0.129
local terms energy: -51.076389
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -5.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -207.911458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.911458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.911458 (E_RNA)
where:
Base-Base interactions energy: -127.850
where: short stacking energy: -65.602
Base-Backbone interact. energy: -0.322
local terms energy: -79.740297
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -18.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -193.767307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.767307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.767307 (E_RNA)
where:
Base-Base interactions energy: -117.483
where: short stacking energy: -62.329
Base-Backbone interact. energy: -0.722
local terms energy: -75.562218
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -19.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -190.319296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.319296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.319296 (E_RNA)
where:
Base-Base interactions energy: -109.484
where: short stacking energy: -65.068
Base-Backbone interact. energy: -0.021
local terms energy: -80.814466
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -18.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -188.199521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.199521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.199521 (E_RNA)
where:
Base-Base interactions energy: -114.581
where: short stacking energy: -67.356
Base-Backbone interact. energy: -0.000
local terms energy: -73.617998
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -20.843
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: 7
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -154.392568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.392568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.392568 (E_RNA)
where:
Base-Base interactions energy: -93.013
where: short stacking energy: -53.741
Base-Backbone interact. energy: -0.060
local terms energy: -61.319355
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -8.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -92.288670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.288670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.288670 (E_RNA)
where:
Base-Base interactions energy: -33.685
where: short stacking energy: -33.685
Base-Backbone interact. energy: -0.005
local terms energy: -58.598735
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -8.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -94.683037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.683037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.683037 (E_RNA)
where:
Base-Base interactions energy: -34.921
where: short stacking energy: -28.905
Base-Backbone interact. energy: -0.037
local terms energy: -59.724901
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -11.062
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -9.015
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: 2
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -89.089245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.089245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.089245 (E_RNA)
where:
Base-Base interactions energy: -31.916
where: short stacking energy: -31.916
Base-Backbone interact. energy: 0.053
local terms energy: -57.225913
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -4.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -80.506113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.506113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.506113 (E_RNA)
where:
Base-Base interactions energy: -35.367
where: short stacking energy: -35.367
Base-Backbone interact. energy: -0.011
local terms energy: -45.127956
where:
bonds (distance) C4'-P energy: -8.794
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -4.072
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: 10, replica: 10
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -89.610937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.610937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.610937 (E_RNA)
where:
Base-Base interactions energy: -42.305
where: short stacking energy: -25.075
Base-Backbone interact. energy: 0.488
local terms energy: -47.794133
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -10.268
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -1.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -195.887278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.887278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.887278 (E_RNA)
where:
Base-Base interactions energy: -131.760
where: short stacking energy: -67.576
Base-Backbone interact. energy: -0.019
local terms energy: -64.109018
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -14.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -192.096876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.096876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.096876 (E_RNA)
where:
Base-Base interactions energy: -118.831
where: short stacking energy: -64.302
Base-Backbone interact. energy: -0.001
local terms energy: -73.265497
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -14.767
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: 8
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -191.833003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.833003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.833003 (E_RNA)
where:
Base-Base interactions energy: -117.783
where: short stacking energy: -66.396
Base-Backbone interact. energy: -0.188
local terms energy: -73.862649
where:
bonds (distance) C4'-P energy: -10.411
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -14.255
tors. eta vs tors. theta energy: -17.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -162.515863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.515863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.515863 (E_RNA)
where:
Base-Base interactions energy: -100.306
where: short stacking energy: -52.449
Base-Backbone interact. energy: -0.002
local terms energy: -62.207598
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: -10.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -166.215400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.215400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.215400 (E_RNA)
where:
Base-Base interactions energy: -95.512
where: short stacking energy: -50.315
Base-Backbone interact. energy: -0.170
local terms energy: -70.533562
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -16.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -101.500027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.500027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.500027 (E_RNA)
where:
Base-Base interactions energy: -41.223
where: short stacking energy: -39.781
Base-Backbone interact. energy: -0.008
local terms energy: -60.269451
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -7.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -84.864482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.864482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.864482 (E_RNA)
where:
Base-Base interactions energy: -38.393
where: short stacking energy: -32.474
Base-Backbone interact. energy: 1.184
local terms energy: -47.654996
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -6.797
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: 8, replica: 4
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -95.696084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.696084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.696084 (E_RNA)
where:
Base-Base interactions energy: -47.796
where: short stacking energy: -26.337
Base-Backbone interact. energy: -0.984
local terms energy: -46.915697
where:
bonds (distance) C4'-P energy: -5.429
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -5.989
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: 2
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -79.667764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.667764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.667764 (E_RNA)
where:
Base-Base interactions energy: -23.508
where: short stacking energy: -23.508
Base-Backbone interact. energy: -1.170
local terms energy: -54.989224
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -3.603
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: 455
Temperature: 1.350000
Total energy: -75.385041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.385041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.385041 (E_RNA)
where:
Base-Base interactions energy: -28.338
where: short stacking energy: -24.112
Base-Backbone interact. energy: 0.372
local terms energy: -47.419254
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -10.553
flat angles C4'-P-C4' energy: -11.460
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -2.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -201.597128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.597128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.597128 (E_RNA)
where:
Base-Base interactions energy: -125.364
where: short stacking energy: -67.222
Base-Backbone interact. energy: 0.228
local terms energy: -76.460245
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -17.392
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: 5
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -184.160731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.160731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.160731 (E_RNA)
where:
Base-Base interactions energy: -113.354
where: short stacking energy: -57.869
Base-Backbone interact. energy: -0.622
local terms energy: -70.184777
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -10.788
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -15.809
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: 3, replica: 8
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -191.788235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.788235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.788235 (E_RNA)
where:
Base-Base interactions energy: -118.621
where: short stacking energy: -63.286
Base-Backbone interact. energy: -0.048
local terms energy: -73.118699
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -18.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -171.744641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.744641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.744641 (E_RNA)
where:
Base-Base interactions energy: -107.310
where: short stacking energy: -57.852
Base-Backbone interact. energy: 0.129
local terms energy: -64.563505
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -13.158
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -14.833
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: 1
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -164.458639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.458639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.458639 (E_RNA)
where:
Base-Base interactions energy: -95.001
where: short stacking energy: -53.539
Base-Backbone interact. energy: -0.000
local terms energy: -69.457305
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -13.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -132.723496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.723496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.723496 (E_RNA)
where:
Base-Base interactions energy: -78.867
where: short stacking energy: -33.981
Base-Backbone interact. energy: -0.116
local terms energy: -53.739863
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -5.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -88.002628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.002628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.002628 (E_RNA)
where:
Base-Base interactions energy: -38.276
where: short stacking energy: -31.660
Base-Backbone interact. energy: -0.066
local terms energy: -49.661376
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -12.459
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -7.373
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: 8, replica: 3
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -88.029905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.029905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.029905 (E_RNA)
where:
Base-Base interactions energy: -31.177
where: short stacking energy: -28.594
Base-Backbone interact. energy: -0.290
local terms energy: -56.562715
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -3.054
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: 2
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -76.731238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.731238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.731238 (E_RNA)
where:
Base-Base interactions energy: -31.002
where: short stacking energy: -31.002
Base-Backbone interact. energy: -0.303
local terms energy: -45.425964
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -11.568
flat angles C4'-P-C4' energy: -8.802
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -3.594
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: 10
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -71.612955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.612955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.612955 (E_RNA)
where:
Base-Base interactions energy: -37.373
where: short stacking energy: -24.325
Base-Backbone interact. energy: 2.968
local terms energy: -37.207627
where:
bonds (distance) C4'-P energy: -7.511
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: 1.054
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: 6
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -198.436476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.436476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.436476 (E_RNA)
where:
Base-Base interactions energy: -117.894
where: short stacking energy: -71.222
Base-Backbone interact. energy: -0.072
local terms energy: -80.471100
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -14.333
tors. eta vs tors. theta energy: -19.694
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: 8
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -192.861849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.861849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.861849 (E_RNA)
where:
Base-Base interactions energy: -121.987
where: short stacking energy: -59.729
Base-Backbone interact. energy: -0.271
local terms energy: -70.603452
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -15.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -167.645668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.645668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.645668 (E_RNA)
where:
Base-Base interactions energy: -97.510
where: short stacking energy: -59.657
Base-Backbone interact. energy: 0.181
local terms energy: -70.316394
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -15.908
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: 457
Temperature: 1.050000
Total energy: -164.001635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.001635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.001635 (E_RNA)
where:
Base-Base interactions energy: -98.631
where: short stacking energy: -53.437
Base-Backbone interact. energy: -0.020
local terms energy: -65.351161
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -11.706
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -16.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -161.899800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.899800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.899800 (E_RNA)
where:
Base-Base interactions energy: -99.589
where: short stacking energy: -54.032
Base-Backbone interact. energy: -0.400
local terms energy: -61.911448
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -11.805
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -14.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -136.489740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.489740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.489740 (E_RNA)
where:
Base-Base interactions energy: -76.420
where: short stacking energy: -44.242
Base-Backbone interact. energy: -0.349
local terms energy: -59.720900
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -8.990
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -9.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -134.379875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.379875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.379875 (E_RNA)
where:
Base-Base interactions energy: -79.996
where: short stacking energy: -46.480
Base-Backbone interact. energy: 2.726
local terms energy: -57.110506
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: -11.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -80.538141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.538141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.538141 (E_RNA)
where:
Base-Base interactions energy: -33.702
where: short stacking energy: -27.613
Base-Backbone interact. energy: 0.440
local terms energy: -47.275733
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -9.533
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -0.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -82.739101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.739101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.739101 (E_RNA)
where:
Base-Base interactions energy: -25.950
where: short stacking energy: -24.999
Base-Backbone interact. energy: -0.109
local terms energy: -56.680137
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -4.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -74.588260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.588260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.588260 (E_RNA)
where:
Base-Base interactions energy: -26.394
where: short stacking energy: -22.566
Base-Backbone interact. energy: -0.102
local terms energy: -48.092030
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: 1.961
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: 1, replica: 6
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -207.694247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.694247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.694247 (E_RNA)
where:
Base-Base interactions energy: -124.765
where: short stacking energy: -71.373
Base-Backbone interact. energy: -0.089
local terms energy: -82.840519
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -22.745
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: 8
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -205.281041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.281041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.281041 (E_RNA)
where:
Base-Base interactions energy: -123.505
where: short stacking energy: -68.194
Base-Backbone interact. energy: 0.040
local terms energy: -81.816510
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -20.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -176.317089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.317089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.317089 (E_RNA)
where:
Base-Base interactions energy: -103.157
where: short stacking energy: -55.700
Base-Backbone interact. energy: 0.695
local terms energy: -73.855114
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -16.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -153.332164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.332164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.332164 (E_RNA)
where:
Base-Base interactions energy: -86.026
where: short stacking energy: -50.816
Base-Backbone interact. energy: -0.001
local terms energy: -67.305245
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -12.269
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -11.457
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: 7
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -148.330572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.330572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.330572 (E_RNA)
where:
Base-Base interactions energy: -84.679
where: short stacking energy: -47.117
Base-Backbone interact. energy: -0.124
local terms energy: -63.527744
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -9.395
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: 6, replica: 9
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -144.757097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.757097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.757097 (E_RNA)
where:
Base-Base interactions energy: -82.725
where: short stacking energy: -48.370
Base-Backbone interact. energy: -0.351
local terms energy: -61.680826
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -9.183
flat angles P-C4'-P energy: -9.915
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: 7, replica: 4
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -139.319753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.319753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.319753 (E_RNA)
where:
Base-Base interactions energy: -82.424
where: short stacking energy: -41.398
Base-Backbone interact. energy: -0.758
local terms energy: -56.137755
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -5.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -82.358322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.358322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.358322 (E_RNA)
where:
Base-Base interactions energy: -30.632
where: short stacking energy: -30.632
Base-Backbone interact. energy: -0.156
local terms energy: -51.570185
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -11.185
flat angles P-C4'-P energy: -8.711
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: 9, replica: 10
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -91.804340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.804340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.804340 (E_RNA)
where:
Base-Base interactions energy: -39.111
where: short stacking energy: -32.351
Base-Backbone interact. energy: 1.168
local terms energy: -53.861836
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -9.597
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -6.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -81.500171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.500171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.500171 (E_RNA)
where:
Base-Base interactions energy: -33.307
where: short stacking energy: -32.226
Base-Backbone interact. energy: -0.239
local terms energy: -47.954303
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -10.025
flat angles P-C4'-P energy: -4.338
tors. eta vs tors. theta energy: -1.332
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: 6
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -191.307728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.307728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.307728 (E_RNA)
where:
Base-Base interactions energy: -115.755
where: short stacking energy: -59.918
Base-Backbone interact. energy: -0.230
local terms energy: -75.322891
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -19.797
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: 8
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -199.784439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.784439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.784439 (E_RNA)
where:
Base-Base interactions energy: -119.378
where: short stacking energy: -66.899
Base-Backbone interact. energy: -0.241
local terms energy: -80.164826
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -18.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -165.322516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.322516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.322516 (E_RNA)
where:
Base-Base interactions energy: -106.761
where: short stacking energy: -49.161
Base-Backbone interact. energy: -0.160
local terms energy: -58.401697
where:
bonds (distance) C4'-P energy: -8.551
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -11.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -155.714457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.714457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.714457 (E_RNA)
where:
Base-Base interactions energy: -94.113
where: short stacking energy: -54.706
Base-Backbone interact. energy: -0.346
local terms energy: -61.255604
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -10.517
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -13.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -143.372688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.372688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.372688 (E_RNA)
where:
Base-Base interactions energy: -86.772
where: short stacking energy: -33.616
Base-Backbone interact. energy: -0.936
local terms energy: -55.663955
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -10.093
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -8.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -172.283259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.283259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.283259 (E_RNA)
where:
Base-Base interactions energy: -108.570
where: short stacking energy: -56.175
Base-Backbone interact. energy: -0.572
local terms energy: -63.141611
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -3.233
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -137.650628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.650628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.650628 (E_RNA)
where:
Base-Base interactions energy: -70.270
where: short stacking energy: -45.942
Base-Backbone interact. energy: -0.046
local terms energy: -67.334410
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -15.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -100.645964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.645964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.645964 (E_RNA)
where:
Base-Base interactions energy: -38.638
where: short stacking energy: -37.757
Base-Backbone interact. energy: -1.005
local terms energy: -61.002332
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -4.732
tors. eta vs tors. theta energy: -11.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -75.731651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.731651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.731651 (E_RNA)
where:
Base-Base interactions energy: -24.128
where: short stacking energy: -18.634
Base-Backbone interact. energy: -0.235
local terms energy: -51.368632
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: 3.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -69.690278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.690278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.690278 (E_RNA)
where:
Base-Base interactions energy: -19.342
where: short stacking energy: -17.049
Base-Backbone interact. energy: -0.170
local terms energy: -50.178860
where:
bonds (distance) C4'-P energy: -10.025
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -2.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -203.998788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.998788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.998788 (E_RNA)
where:
Base-Base interactions energy: -124.283
where: short stacking energy: -65.677
Base-Backbone interact. energy: -0.591
local terms energy: -79.124501
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -13.538
tors. eta vs tors. theta energy: -20.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -181.756244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.756244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.756244 (E_RNA)
where:
Base-Base interactions energy: -110.849
where: short stacking energy: -57.393
Base-Backbone interact. energy: -0.808
local terms energy: -70.099390
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -12.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -157.279141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.279141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.279141 (E_RNA)
where:
Base-Base interactions energy: -93.002
where: short stacking energy: -51.135
Base-Backbone interact. energy: 1.377
local terms energy: -65.653569
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -11.152
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: 460
Temperature: 1.050000
Total energy: -178.390830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.390830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.390830 (E_RNA)
where:
Base-Base interactions energy: -103.242
where: short stacking energy: -54.597
Base-Backbone interact. energy: -0.005
local terms energy: -75.143765
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -20.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -184.159815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.159815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.159815 (E_RNA)
where:
Base-Base interactions energy: -115.889
where: short stacking energy: -58.733
Base-Backbone interact. energy: -1.272
local terms energy: -66.998694
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -13.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -140.746973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.746973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.746973 (E_RNA)
where:
Base-Base interactions energy: -76.447
where: short stacking energy: -38.911
Base-Backbone interact. energy: -0.251
local terms energy: -64.048200
where:
bonds (distance) C4'-P energy: -10.095
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -6.625
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: 10
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -101.460818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.460818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.460818 (E_RNA)
where:
Base-Base interactions energy: -48.213
where: short stacking energy: -47.612
Base-Backbone interact. energy: -0.110
local terms energy: -53.137675
where:
bonds (distance) C4'-P energy: -8.220
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: -8.840
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: 4
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -86.157774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.157774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.157774 (E_RNA)
where:
Base-Base interactions energy: -43.008
where: short stacking energy: -25.518
Base-Backbone interact. energy: -0.348
local terms energy: -42.801515
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -4.253
tors. eta vs tors. theta energy: -1.591
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: 9, replica: 3
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -87.852649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.852649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.852649 (E_RNA)
where:
Base-Base interactions energy: -31.975
where: short stacking energy: -31.975
Base-Backbone interact. energy: -0.315
local terms energy: -55.562360
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -10.855
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -7.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -69.554148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.554148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.554148 (E_RNA)
where:
Base-Base interactions energy: -24.804
where: short stacking energy: -24.685
Base-Backbone interact. energy: -0.289
local terms energy: -44.461575
where:
bonds (distance) C4'-P energy: -10.120
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -5.533
tors. eta vs tors. theta energy: 0.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -202.645936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.645936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.645936 (E_RNA)
where:
Base-Base interactions energy: -125.821
where: short stacking energy: -63.267
Base-Backbone interact. energy: -0.001
local terms energy: -76.824285
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -22.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -159.867768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.867768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.867768 (E_RNA)
where:
Base-Base interactions energy: -96.941
where: short stacking energy: -45.100
Base-Backbone interact. energy: -0.061
local terms energy: -62.866597
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -7.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -196.223923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.223923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.223923 (E_RNA)
where:
Base-Base interactions energy: -121.937
where: short stacking energy: -65.048
Base-Backbone interact. energy: -0.088
local terms energy: -74.199529
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -18.712
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: 9
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -170.223052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.223052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.223052 (E_RNA)
where:
Base-Base interactions energy: -105.078
where: short stacking energy: -46.707
Base-Backbone interact. energy: -0.299
local terms energy: -64.846421
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -15.057
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: 1
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -157.876764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.876764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.876764 (E_RNA)
where:
Base-Base interactions energy: -93.766
where: short stacking energy: -51.750
Base-Backbone interact. energy: -0.072
local terms energy: -64.038402
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -15.817
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: 6, replica: 7
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -140.964810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.964810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.964810 (E_RNA)
where:
Base-Base interactions energy: -84.971
where: short stacking energy: -46.777
Base-Backbone interact. energy: -0.122
local terms energy: -55.871352
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -7.010
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -10.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -94.271146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.271146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.271146 (E_RNA)
where:
Base-Base interactions energy: -35.715
where: short stacking energy: -35.715
Base-Backbone interact. energy: -0.100
local terms energy: -58.455736
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -9.708
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -11.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -90.345200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.345200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.345200 (E_RNA)
where:
Base-Base interactions energy: -37.455
where: short stacking energy: -37.455
Base-Backbone interact. energy: -0.066
local terms energy: -52.823484
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -7.456
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -8.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -75.897110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.897110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.897110 (E_RNA)
where:
Base-Base interactions energy: -35.014
where: short stacking energy: -28.526
Base-Backbone interact. energy: -0.057
local terms energy: -40.825610
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -2.498
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: 2
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -74.609898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.609898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.609898 (E_RNA)
where:
Base-Base interactions energy: -24.527
where: short stacking energy: -13.603
Base-Backbone interact. energy: -0.119
local terms energy: -49.963750
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: 3.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -212.461591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.461591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.461591 (E_RNA)
where:
Base-Base interactions energy: -139.306
where: short stacking energy: -66.779
Base-Backbone interact. energy: 0.096
local terms energy: -73.251543
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -18.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -170.780802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.780802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.780802 (E_RNA)
where:
Base-Base interactions energy: -101.109
where: short stacking energy: -63.320
Base-Backbone interact. energy: -0.001
local terms energy: -69.670010
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -11.572
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -18.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -188.502890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.502890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.502890 (E_RNA)
where:
Base-Base interactions energy: -120.220
where: short stacking energy: -62.069
Base-Backbone interact. energy: -0.645
local terms energy: -67.638093
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -11.286
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -14.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -179.692349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.692349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.692349 (E_RNA)
where:
Base-Base interactions energy: -109.004
where: short stacking energy: -62.651
Base-Backbone interact. energy: -0.054
local terms energy: -70.634241
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -6.630
tors. eta vs tors. theta energy: -19.931
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: 7
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -147.572110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.572110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.572110 (E_RNA)
where:
Base-Base interactions energy: -102.797
where: short stacking energy: -32.826
Base-Backbone interact. energy: 0.158
local terms energy: -44.932884
where:
bonds (distance) C4'-P energy: -9.256
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -10.112
flat angles P-C4'-P energy: -6.142
tors. eta vs tors. theta energy: -6.155
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: 6, replica: 1
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -151.383315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.383315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.383315 (E_RNA)
where:
Base-Base interactions energy: -94.005
where: short stacking energy: -47.405
Base-Backbone interact. energy: 0.448
local terms energy: -57.825839
where:
bonds (distance) C4'-P energy: -7.851
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -10.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -96.053792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.053792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.053792 (E_RNA)
where:
Base-Base interactions energy: -39.583
where: short stacking energy: -27.836
Base-Backbone interact. energy: -0.094
local terms energy: -56.376886
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -11.863
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -8.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -93.369056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.369056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.369056 (E_RNA)
where:
Base-Base interactions energy: -45.338
where: short stacking energy: -29.654
Base-Backbone interact. energy: -0.395
local terms energy: -47.636354
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -9.996
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -6.971
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: 2
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -82.830804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.830804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.830804 (E_RNA)
where:
Base-Base interactions energy: -28.066
where: short stacking energy: -23.224
Base-Backbone interact. energy: 0.670
local terms energy: -55.434734
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -1.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -72.221691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.221691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.221691 (E_RNA)
where:
Base-Base interactions energy: -25.343
where: short stacking energy: -20.765
Base-Backbone interact. energy: 0.997
local terms energy: -47.875875
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -8.587
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: 1, replica: 8
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -201.676738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.676738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.676738 (E_RNA)
where:
Base-Base interactions energy: -123.682
where: short stacking energy: -68.775
Base-Backbone interact. energy: -0.304
local terms energy: -77.689980
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -20.549
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: 9
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -194.994158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.994158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.994158 (E_RNA)
where:
Base-Base interactions energy: -114.864
where: short stacking energy: -67.609
Base-Backbone interact. energy: -0.034
local terms energy: -80.096546
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -18.360
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: 5
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -189.281202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.281202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.281202 (E_RNA)
where:
Base-Base interactions energy: -115.643
where: short stacking energy: -61.848
Base-Backbone interact. energy: -0.012
local terms energy: -73.625855
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -19.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -176.709156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.709156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.709156 (E_RNA)
where:
Base-Base interactions energy: -108.455
where: short stacking energy: -52.154
Base-Backbone interact. energy: -0.104
local terms energy: -68.150477
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -15.697
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: 6
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -173.491503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.491503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.491503 (E_RNA)
where:
Base-Base interactions energy: -99.979
where: short stacking energy: -48.850
Base-Backbone interact. energy: -0.480
local terms energy: -73.033056
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -13.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -164.631832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.631832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.631832 (E_RNA)
where:
Base-Base interactions energy: -99.813
where: short stacking energy: -54.291
Base-Backbone interact. energy: -0.009
local terms energy: -64.809303
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -11.627
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: 4
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -99.479107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.479107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.479107 (E_RNA)
where:
Base-Base interactions energy: -48.103
where: short stacking energy: -40.530
Base-Backbone interact. energy: -0.367
local terms energy: -51.008913
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -11.054
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: -3.272
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: 463
Temperature: 1.250000
Total energy: -105.476740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.476740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.476740 (E_RNA)
where:
Base-Base interactions energy: -43.027
where: short stacking energy: -43.027
Base-Backbone interact. energy: 1.804
local terms energy: -64.254245
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -13.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -99.716961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.716961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.716961 (E_RNA)
where:
Base-Base interactions energy: -53.547
where: short stacking energy: -33.861
Base-Backbone interact. energy: -0.260
local terms energy: -45.910177
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -2.984
tors. eta vs tors. theta energy: -3.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -82.846197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.846197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.846197 (E_RNA)
where:
Base-Base interactions energy: -27.897
where: short stacking energy: -23.105
Base-Backbone interact. energy: -0.027
local terms energy: -54.922669
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -10.153
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: 8
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -208.329457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.329457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.329457 (E_RNA)
where:
Base-Base interactions energy: -129.535
where: short stacking energy: -71.637
Base-Backbone interact. energy: -0.211
local terms energy: -78.583042
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -19.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -190.904046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.904046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.904046 (E_RNA)
where:
Base-Base interactions energy: -116.731
where: short stacking energy: -60.808
Base-Backbone interact. energy: -0.041
local terms energy: -74.131428
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -13.754
tors. eta vs tors. theta energy: -17.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -188.787835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.787835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.787835 (E_RNA)
where:
Base-Base interactions energy: -109.848
where: short stacking energy: -58.210
Base-Backbone interact. energy: -0.984
local terms energy: -77.955287
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -18.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -164.662224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.662224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.662224 (E_RNA)
where:
Base-Base interactions energy: -108.970
where: short stacking energy: -55.030
Base-Backbone interact. energy: -0.072
local terms energy: -55.620601
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -9.381
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -15.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -176.701233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.701233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.701233 (E_RNA)
where:
Base-Base interactions energy: -106.020
where: short stacking energy: -58.426
Base-Backbone interact. energy: -0.048
local terms energy: -70.633033
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -10.975
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -16.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -163.696521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.696521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.696521 (E_RNA)
where:
Base-Base interactions energy: -100.302
where: short stacking energy: -50.635
Base-Backbone interact. energy: -0.081
local terms energy: -63.313804
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -11.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -121.409211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.409211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.409211 (E_RNA)
where:
Base-Base interactions energy: -53.574
where: short stacking energy: -53.574
Base-Backbone interact. energy: -0.009
local terms energy: -67.825630
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -18.191
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: 4
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -95.405105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.405105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.405105 (E_RNA)
where:
Base-Base interactions energy: -41.249
where: short stacking energy: -41.249
Base-Backbone interact. energy: -0.038
local terms energy: -54.117812
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -6.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -116.150875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.150875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.150875 (E_RNA)
where:
Base-Base interactions energy: -64.719
where: short stacking energy: -50.071
Base-Backbone interact. energy: -0.324
local terms energy: -51.107920
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -9.308
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: -10.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -71.870173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.870173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.870173 (E_RNA)
where:
Base-Base interactions energy: -26.495
where: short stacking energy: -23.218
Base-Backbone interact. energy: -0.097
local terms energy: -45.278043
where:
bonds (distance) C4'-P energy: -2.733
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -8.615
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: 1, replica: 8
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -202.455989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.455989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.455989 (E_RNA)
where:
Base-Base interactions energy: -127.530
where: short stacking energy: -63.874
Base-Backbone interact. energy: -0.051
local terms energy: -74.875463
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -18.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -185.438530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.438530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.438530 (E_RNA)
where:
Base-Base interactions energy: -119.467
where: short stacking energy: -53.154
Base-Backbone interact. energy: -0.612
local terms energy: -65.359176
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -9.102
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: 9
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -199.198930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.198930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.198930 (E_RNA)
where:
Base-Base interactions energy: -121.448
where: short stacking energy: -68.547
Base-Backbone interact. energy: -0.001
local terms energy: -77.750302
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -19.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -175.040761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.040761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.040761 (E_RNA)
where:
Base-Base interactions energy: -110.349
where: short stacking energy: -53.886
Base-Backbone interact. energy: -0.267
local terms energy: -64.424938
where:
bonds (distance) C4'-P energy: -9.937
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -10.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -151.545541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.545541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.545541 (E_RNA)
where:
Base-Base interactions energy: -86.117
where: short stacking energy: -52.827
Base-Backbone interact. energy: -0.143
local terms energy: -65.285690
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -10.479
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: 6, replica: 6
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -168.795877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.795877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.795877 (E_RNA)
where:
Base-Base interactions energy: -110.707
where: short stacking energy: -56.513
Base-Backbone interact. energy: -0.097
local terms energy: -57.992163
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -13.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -101.985956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.985956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.985956 (E_RNA)
where:
Base-Base interactions energy: -48.667
where: short stacking energy: -42.598
Base-Backbone interact. energy: -0.025
local terms energy: -53.293936
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -2.668
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -7.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -88.626532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.626532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.626532 (E_RNA)
where:
Base-Base interactions energy: -34.691
where: short stacking energy: -34.691
Base-Backbone interact. energy: -0.151
local terms energy: -53.785184
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -8.650
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -6.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -83.022577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.022577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.022577 (E_RNA)
where:
Base-Base interactions energy: -27.036
where: short stacking energy: -26.897
Base-Backbone interact. energy: -0.412
local terms energy: -55.574509
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -5.434
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: 2
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -74.825057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.825057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.825057 (E_RNA)
where:
Base-Base interactions energy: -37.233
where: short stacking energy: -35.028
Base-Backbone interact. energy: 0.096
local terms energy: -37.687532
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -9.736
flat angles P-C4'-P energy: 2.008
tors. eta vs tors. theta energy: -7.189
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: 1, replica: 5
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -196.926984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.926984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.926984 (E_RNA)
where:
Base-Base interactions energy: -125.309
where: short stacking energy: -55.721
Base-Backbone interact. energy: -0.290
local terms energy: -71.327214
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -14.622
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: 2, replica: 8
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -194.609840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.609840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.609840 (E_RNA)
where:
Base-Base interactions energy: -125.635
where: short stacking energy: -60.088
Base-Backbone interact. energy: -0.066
local terms energy: -68.909054
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -16.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -197.105787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.105787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.105787 (E_RNA)
where:
Base-Base interactions energy: -120.690
where: short stacking energy: -65.918
Base-Backbone interact. energy: -0.589
local terms energy: -75.826741
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -16.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -175.470204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.470204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.470204 (E_RNA)
where:
Base-Base interactions energy: -108.083
where: short stacking energy: -57.950
Base-Backbone interact. energy: -0.084
local terms energy: -67.302647
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -18.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -165.002672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.002672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.002672 (E_RNA)
where:
Base-Base interactions energy: -98.530
where: short stacking energy: -59.788
Base-Backbone interact. energy: -0.070
local terms energy: -66.401809
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -16.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -138.873401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.873401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.873401 (E_RNA)
where:
Base-Base interactions energy: -80.319
where: short stacking energy: -40.651
Base-Backbone interact. energy: -0.051
local terms energy: -58.502528
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -9.027
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: 10
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -82.145581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.145581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.145581 (E_RNA)
where:
Base-Base interactions energy: -28.619
where: short stacking energy: -25.052
Base-Backbone interact. energy: -0.168
local terms energy: -53.358310
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -6.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -79.341548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.341548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.341548 (E_RNA)
where:
Base-Base interactions energy: -33.540
where: short stacking energy: -28.020
Base-Backbone interact. energy: -0.162
local terms energy: -45.639556
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -6.233
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -88.441381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.441381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.441381 (E_RNA)
where:
Base-Base interactions energy: -37.889
where: short stacking energy: -35.654
Base-Backbone interact. energy: -0.392
local terms energy: -50.160023
where:
bonds (distance) C4'-P energy: -8.729
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -11.276
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -3.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -71.414295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.414295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.414295 (E_RNA)
where:
Base-Base interactions energy: -28.449
where: short stacking energy: -20.539
Base-Backbone interact. energy: 0.041
local terms energy: -43.006147
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -10.953
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: 7.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -201.276832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.276832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.276832 (E_RNA)
where:
Base-Base interactions energy: -129.335
where: short stacking energy: -58.122
Base-Backbone interact. energy: -0.073
local terms energy: -71.868958
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -9.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -194.279812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.279812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.279812 (E_RNA)
where:
Base-Base interactions energy: -120.132
where: short stacking energy: -62.320
Base-Backbone interact. energy: -0.005
local terms energy: -74.142315
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -12.382
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -20.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -181.720730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.720730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.720730 (E_RNA)
where:
Base-Base interactions energy: -118.006
where: short stacking energy: -56.687
Base-Backbone interact. energy: -0.179
local terms energy: -63.535575
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -12.037
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -10.410
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: 4, replica: 6
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -176.297468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.297468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.297468 (E_RNA)
where:
Base-Base interactions energy: -104.978
where: short stacking energy: -54.168
Base-Backbone interact. energy: 0.016
local terms energy: -71.334758
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -14.604
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: 1
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -185.807376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.807376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.807376 (E_RNA)
where:
Base-Base interactions energy: -115.504
where: short stacking energy: -61.898
Base-Backbone interact. energy: -0.049
local terms energy: -70.254238
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -17.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -92.610560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.610560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.610560 (E_RNA)
where:
Base-Base interactions energy: -33.754
where: short stacking energy: -31.701
Base-Backbone interact. energy: -0.051
local terms energy: -58.805515
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -8.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -136.328236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.328236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.328236 (E_RNA)
where:
Base-Base interactions energy: -77.159
where: short stacking energy: -33.766
Base-Backbone interact. energy: -0.434
local terms energy: -58.734712
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -4.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -88.278586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.278586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.278586 (E_RNA)
where:
Base-Base interactions energy: -39.749
where: short stacking energy: -14.691
Base-Backbone interact. energy: -0.352
local terms energy: -48.177525
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -9.529
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -0.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -89.657354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.657354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.657354 (E_RNA)
where:
Base-Base interactions energy: -28.283
where: short stacking energy: -25.227
Base-Backbone interact. energy: 1.515
local terms energy: -62.889428
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -4.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -75.183628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.183628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.183628 (E_RNA)
where:
Base-Base interactions energy: -23.090
where: short stacking energy: -23.090
Base-Backbone interact. energy: 1.494
local terms energy: -53.587499
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -11.058
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -1.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -211.856445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.856445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.856445 (E_RNA)
where:
Base-Base interactions energy: -136.259
where: short stacking energy: -62.925
Base-Backbone interact. energy: -0.120
local terms energy: -75.477813
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -17.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -201.561769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.561769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.561769 (E_RNA)
where:
Base-Base interactions energy: -131.196
where: short stacking energy: -76.254
Base-Backbone interact. energy: -0.123
local terms energy: -70.242991
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -16.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -198.562162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.562162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.562162 (E_RNA)
where:
Base-Base interactions energy: -126.213
where: short stacking energy: -62.884
Base-Backbone interact. energy: -0.053
local terms energy: -72.296110
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -18.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -168.299331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.299331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.299331 (E_RNA)
where:
Base-Base interactions energy: -105.099
where: short stacking energy: -49.915
Base-Backbone interact. energy: -0.265
local terms energy: -62.934872
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -4.347
tors. eta vs tors. theta energy: -11.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -148.394272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.394272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.394272 (E_RNA)
where:
Base-Base interactions energy: -88.198
where: short stacking energy: -47.756
Base-Backbone interact. energy: -0.503
local terms energy: -59.693903
where:
bonds (distance) C4'-P energy: -11.758
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -6.209
tors. eta vs tors. theta energy: -8.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -91.034073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.034073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.034073 (E_RNA)
where:
Base-Base interactions energy: -35.888
where: short stacking energy: -31.446
Base-Backbone interact. energy: -0.103
local terms energy: -55.043756
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -11.378
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -4.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -144.654577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.654577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.654577 (E_RNA)
where:
Base-Base interactions energy: -77.515
where: short stacking energy: -44.492
Base-Backbone interact. energy: -0.017
local terms energy: -67.123389
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -10.804
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: 8, replica: 2
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -86.151396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.151396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.151396 (E_RNA)
where:
Base-Base interactions energy: -33.938
where: short stacking energy: -33.528
Base-Backbone interact. energy: -0.838
local terms energy: -51.375009
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -6.322
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -1.982
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: 4
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -84.759528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.759528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.759528 (E_RNA)
where:
Base-Base interactions energy: -29.417
where: short stacking energy: -27.513
Base-Backbone interact. energy: -0.340
local terms energy: -55.001968
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: 0.189
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: 3
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -87.263891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.263891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.263891 (E_RNA)
where:
Base-Base interactions energy: -33.970
where: short stacking energy: -33.876
Base-Backbone interact. energy: -0.437
local terms energy: -52.856393
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -3.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -205.003869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.003869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.003869 (E_RNA)
where:
Base-Base interactions energy: -129.834
where: short stacking energy: -59.104
Base-Backbone interact. energy: -0.241
local terms energy: -74.928734
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -19.019
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: 2, replica: 9
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -194.388570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.388570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.388570 (E_RNA)
where:
Base-Base interactions energy: -119.465
where: short stacking energy: -64.884
Base-Backbone interact. energy: -0.001
local terms energy: -74.922574
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -18.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -190.598995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.598995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.598995 (E_RNA)
where:
Base-Base interactions energy: -113.834
where: short stacking energy: -63.897
Base-Backbone interact. energy: 0.340
local terms energy: -77.105349
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -19.958
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: 6
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -164.192534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.192534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.192534 (E_RNA)
where:
Base-Base interactions energy: -97.133
where: short stacking energy: -58.344
Base-Backbone interact. energy: -0.096
local terms energy: -66.963823
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -14.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -149.435662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.435662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.435662 (E_RNA)
where:
Base-Base interactions energy: -81.641
where: short stacking energy: -43.082
Base-Backbone interact. energy: -0.288
local terms energy: -67.507222
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -11.784
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: 7
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -132.361890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.361890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.361890 (E_RNA)
where:
Base-Base interactions energy: -78.428
where: short stacking energy: -40.769
Base-Backbone interact. energy: -0.335
local terms energy: -53.598965
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -2.997
tors. eta vs tors. theta energy: -5.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -92.535650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.535650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.535650 (E_RNA)
where:
Base-Base interactions energy: -38.337
where: short stacking energy: -37.942
Base-Backbone interact. energy: -0.008
local terms energy: -54.190203
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -7.640
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -5.992
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: 4
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -82.782691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.782691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.782691 (E_RNA)
where:
Base-Base interactions energy: -27.619
where: short stacking energy: -21.012
Base-Backbone interact. energy: -0.208
local terms energy: -54.955910
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -0.342
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: 2
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -74.779917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.779917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.779917 (E_RNA)
where:
Base-Base interactions energy: -30.832
where: short stacking energy: -30.832
Base-Backbone interact. energy: -0.238
local terms energy: -43.709948
where:
bonds (distance) C4'-P energy: -10.225
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: 0.754
tors. eta vs tors. theta energy: -4.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -90.693683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.693683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.693683 (E_RNA)
where:
Base-Base interactions energy: -41.914
where: short stacking energy: -26.451
Base-Backbone interact. energy: -0.100
local terms energy: -48.679065
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -5.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -204.744572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.744572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.744572 (E_RNA)
where:
Base-Base interactions energy: -128.977
where: short stacking energy: -68.351
Base-Backbone interact. energy: -0.157
local terms energy: -75.611279
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -21.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -199.161832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.161832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.161832 (E_RNA)
where:
Base-Base interactions energy: -121.927
where: short stacking energy: -68.259
Base-Backbone interact. energy: -0.001
local terms energy: -77.234313
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -10.039
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: 3, replica: 8
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -191.883010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.883010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.883010 (E_RNA)
where:
Base-Base interactions energy: -114.413
where: short stacking energy: -62.355
Base-Backbone interact. energy: -0.001
local terms energy: -77.468388
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -21.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -177.671240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.671240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.671240 (E_RNA)
where:
Base-Base interactions energy: -112.165
where: short stacking energy: -54.292
Base-Backbone interact. energy: -0.030
local terms energy: -65.475847
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -17.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -144.939215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.939215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.939215 (E_RNA)
where:
Base-Base interactions energy: -92.749
where: short stacking energy: -39.783
Base-Backbone interact. energy: -0.124
local terms energy: -52.066547
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -9.097
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -3.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -133.716698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.716698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.716698 (E_RNA)
where:
Base-Base interactions energy: -69.233
where: short stacking energy: -46.338
Base-Backbone interact. energy: -0.104
local terms energy: -64.379287
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -8.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -92.464712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.464712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.464712 (E_RNA)
where:
Base-Base interactions energy: -39.515
where: short stacking energy: -28.717
Base-Backbone interact. energy: -0.835
local terms energy: -52.114902
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -11.524
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -4.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -77.712541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.712541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.712541 (E_RNA)
where:
Base-Base interactions energy: -31.174
where: short stacking energy: -27.538
Base-Backbone interact. energy: 1.921
local terms energy: -48.459838
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -9.682
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: 1.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -82.150606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.150606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.150606 (E_RNA)
where:
Base-Base interactions energy: -36.131
where: short stacking energy: -29.495
Base-Backbone interact. energy: -0.283
local terms energy: -45.736701
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -9.726
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -1.723
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: 2
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -79.778057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.778057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.778057 (E_RNA)
where:
Base-Base interactions energy: -34.189
where: short stacking energy: -34.189
Base-Backbone interact. energy: -0.450
local terms energy: -45.139122
where:
bonds (distance) C4'-P energy: -10.541
bonds (distance) P-C4' energy: -8.548
flat angles C4'-P-C4' energy: -7.391
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -6.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -212.730627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.730627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.730627 (E_RNA)
where:
Base-Base interactions energy: -133.241
where: short stacking energy: -73.459
Base-Backbone interact. energy: -0.007
local terms energy: -79.482103
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -21.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -198.191661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.191661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.191661 (E_RNA)
where:
Base-Base interactions energy: -125.267
where: short stacking energy: -64.573
Base-Backbone interact. energy: -0.041
local terms energy: -72.882949
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -14.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -193.862318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.862318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.862318 (E_RNA)
where:
Base-Base interactions energy: -114.848
where: short stacking energy: -66.362
Base-Backbone interact. energy: -0.628
local terms energy: -78.386297
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -21.443
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: 7
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -184.445029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.445029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.445029 (E_RNA)
where:
Base-Base interactions energy: -115.839
where: short stacking energy: -55.197
Base-Backbone interact. energy: -0.125
local terms energy: -68.481596
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -14.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -168.620677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.620677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.620677 (E_RNA)
where:
Base-Base interactions energy: -109.392
where: short stacking energy: -56.131
Base-Backbone interact. energy: -0.048
local terms energy: -59.180505
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -11.594
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: 1
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -158.371439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.371439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.371439 (E_RNA)
where:
Base-Base interactions energy: -95.580
where: short stacking energy: -40.742
Base-Backbone interact. energy: -0.099
local terms energy: -62.692933
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -7.952
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -10.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -78.977661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.977661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.977661 (E_RNA)
where:
Base-Base interactions energy: -36.083
where: short stacking energy: -29.626
Base-Backbone interact. energy: -0.108
local terms energy: -42.785934
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -7.397
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: 8, replica: 3
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -82.618034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.618034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.618034 (E_RNA)
where:
Base-Base interactions energy: -31.458
where: short stacking energy: -30.321
Base-Backbone interact. energy: -0.026
local terms energy: -51.134161
where:
bonds (distance) C4'-P energy: -9.821
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -4.346
tors. eta vs tors. theta energy: -6.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -81.073791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.073791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.073791 (E_RNA)
where:
Base-Base interactions energy: -25.069
where: short stacking energy: -25.069
Base-Backbone interact. energy: -0.049
local terms energy: -55.955379
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -4.126
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: 2
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -78.429018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.429018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.429018 (E_RNA)
where:
Base-Base interactions energy: -23.275
where: short stacking energy: -19.494
Base-Backbone interact. energy: -0.193
local terms energy: -54.961219
where:
bonds (distance) C4'-P energy: -9.688
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -207.012449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.012449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.012449 (E_RNA)
where:
Base-Base interactions energy: -132.474
where: short stacking energy: -64.705
Base-Backbone interact. energy: -0.202
local terms energy: -74.335996
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -15.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -201.042834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.042834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.042834 (E_RNA)
where:
Base-Base interactions energy: -122.157
where: short stacking energy: -70.209
Base-Backbone interact. energy: -0.157
local terms energy: -78.729227
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -22.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -188.435795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.435795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.435795 (E_RNA)
where:
Base-Base interactions energy: -113.945
where: short stacking energy: -57.821
Base-Backbone interact. energy: -0.190
local terms energy: -74.301034
where:
bonds (distance) C4'-P energy: -16.499
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -16.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -185.378781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.378781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.378781 (E_RNA)
where:
Base-Base interactions energy: -114.101
where: short stacking energy: -66.492
Base-Backbone interact. energy: -0.033
local terms energy: -71.245194
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -16.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -146.420987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.420987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.420987 (E_RNA)
where:
Base-Base interactions energy: -84.708
where: short stacking energy: -49.212
Base-Backbone interact. energy: -0.055
local terms energy: -61.657390
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -15.199
flat angles C4'-P-C4' energy: -10.720
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -12.532
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: 6, replica: 6
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -143.372703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.372703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.372703 (E_RNA)
where:
Base-Base interactions energy: -89.633
where: short stacking energy: -41.984
Base-Backbone interact. energy: -0.037
local terms energy: -53.703269
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -11.445
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -2.887
tors. eta vs tors. theta energy: -12.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -90.826513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.826513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.826513 (E_RNA)
where:
Base-Base interactions energy: -31.785
where: short stacking energy: -31.785
Base-Backbone interact. energy: -0.051
local terms energy: -58.990394
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -6.155
tors. eta vs tors. theta energy: -9.706
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: 4
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -77.518538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.518538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.518538 (E_RNA)
where:
Base-Base interactions energy: -31.428
where: short stacking energy: -31.428
Base-Backbone interact. energy: -0.108
local terms energy: -45.982347
where:
bonds (distance) C4'-P energy: -9.385
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -8.057
flat angles P-C4'-P energy: -6.800
tors. eta vs tors. theta energy: -4.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -75.247077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.247077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.247077 (E_RNA)
where:
Base-Base interactions energy: -27.262
where: short stacking energy: -27.262
Base-Backbone interact. energy: 0.576
local terms energy: -48.560390
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -10.912
flat angles C4'-P-C4' energy: -10.162
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -3.822
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: 10
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -72.774459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.774459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.774459 (E_RNA)
where:
Base-Base interactions energy: -26.647
where: short stacking energy: -23.559
Base-Backbone interact. energy: 0.868
local terms energy: -46.995579
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: 3.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -210.917676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.917676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.917676 (E_RNA)
where:
Base-Base interactions energy: -133.376
where: short stacking energy: -64.237
Base-Backbone interact. energy: -0.128
local terms energy: -77.413361
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -17.310
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -17.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -198.770427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.770427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.770427 (E_RNA)
where:
Base-Base interactions energy: -125.039
where: short stacking energy: -69.045
Base-Backbone interact. energy: -0.686
local terms energy: -73.045299
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -16.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -196.251572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.251572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.251572 (E_RNA)
where:
Base-Base interactions energy: -125.697
where: short stacking energy: -69.668
Base-Backbone interact. energy: -0.273
local terms energy: -70.281622
where:
bonds (distance) C4'-P energy: -9.863
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -18.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -156.283956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.283956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.283956 (E_RNA)
where:
Base-Base interactions energy: -94.529
where: short stacking energy: -53.363
Base-Backbone interact. energy: -0.283
local terms energy: -61.471470
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -11.413
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -11.890
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: 8
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -161.434707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.434707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.434707 (E_RNA)
where:
Base-Base interactions energy: -91.625
where: short stacking energy: -48.245
Base-Backbone interact. energy: -0.007
local terms energy: -69.802704
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -15.008
tors. eta vs tors. theta energy: -12.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -139.094852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.094852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.094852 (E_RNA)
where:
Base-Base interactions energy: -77.842
where: short stacking energy: -38.017
Base-Backbone interact. energy: -0.285
local terms energy: -60.968002
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -10.332
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: 7, replica: 3
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -94.770201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.770201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.770201 (E_RNA)
where:
Base-Base interactions energy: -38.741
where: short stacking energy: -33.073
Base-Backbone interact. energy: -0.350
local terms energy: -55.679269
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -10.083
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: 8, replica: 2
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -77.756256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.756256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.756256 (E_RNA)
where:
Base-Base interactions energy: -25.180
where: short stacking energy: -15.707
Base-Backbone interact. energy: -0.657
local terms energy: -51.920032
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: -0.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -81.471147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.471147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.471147 (E_RNA)
where:
Base-Base interactions energy: -27.146
where: short stacking energy: -27.146
Base-Backbone interact. energy: 0.332
local terms energy: -54.657626
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -2.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -87.613968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.613968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.613968 (E_RNA)
where:
Base-Base interactions energy: -27.948
where: short stacking energy: -27.948
Base-Backbone interact. energy: -0.073
local terms energy: -59.593353
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -11.254
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -9.135
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: 1, replica: 5
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -211.249100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.249100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.249100 (E_RNA)
where:
Base-Base interactions energy: -138.883
where: short stacking energy: -65.283
Base-Backbone interact. energy: -0.340
local terms energy: -72.025501
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -14.670
tors. eta vs tors. theta energy: -15.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -207.572505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.572505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.572505 (E_RNA)
where:
Base-Base interactions energy: -130.736
where: short stacking energy: -66.981
Base-Backbone interact. energy: -1.446
local terms energy: -75.390306
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -15.941
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: 9
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -195.069727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.069727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.069727 (E_RNA)
where:
Base-Base interactions energy: -124.929
where: short stacking energy: -62.901
Base-Backbone interact. energy: -0.271
local terms energy: -69.869782
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -16.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -165.523446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.523446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.523446 (E_RNA)
where:
Base-Base interactions energy: -101.265
where: short stacking energy: -55.092
Base-Backbone interact. energy: -0.072
local terms energy: -64.186610
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -13.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -171.501736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.501736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.501736 (E_RNA)
where:
Base-Base interactions energy: -105.375
where: short stacking energy: -53.791
Base-Backbone interact. energy: -0.061
local terms energy: -66.065387
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -12.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -162.931070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.931070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.931070 (E_RNA)
where:
Base-Base interactions energy: -101.701
where: short stacking energy: -56.669
Base-Backbone interact. energy: -0.013
local terms energy: -61.216385
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -15.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -89.389792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.389792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.389792 (E_RNA)
where:
Base-Base interactions energy: -39.769
where: short stacking energy: -36.033
Base-Backbone interact. energy: -0.299
local terms energy: -49.322069
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -10.133
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -3.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -83.670767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.670767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.670767 (E_RNA)
where:
Base-Base interactions energy: -29.433
where: short stacking energy: -25.268
Base-Backbone interact. energy: -0.902
local terms energy: -53.335669
where:
bonds (distance) C4'-P energy: -10.219
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -8.775
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: 9, replica: 10
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -83.961042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.961042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.961042 (E_RNA)
where:
Base-Base interactions energy: -29.079
where: short stacking energy: -29.079
Base-Backbone interact. energy: -0.016
local terms energy: -54.865695
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -12.963
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -4.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -76.147631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.147631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.147631 (E_RNA)
where:
Base-Base interactions energy: -26.859
where: short stacking energy: -23.797
Base-Backbone interact. energy: -0.172
local terms energy: -49.117088
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -212.983475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.983475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.983475 (E_RNA)
where:
Base-Base interactions energy: -143.924
where: short stacking energy: -66.360
Base-Backbone interact. energy: -0.351
local terms energy: -68.709221
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -5.267
tors. eta vs tors. theta energy: -21.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -196.574650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.574650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.574650 (E_RNA)
where:
Base-Base interactions energy: -126.061
where: short stacking energy: -61.268
Base-Backbone interact. energy: -0.249
local terms energy: -70.264906
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -14.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -191.901671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.901671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.901671 (E_RNA)
where:
Base-Base interactions energy: -118.158
where: short stacking energy: -57.656
Base-Backbone interact. energy: -0.003
local terms energy: -73.740590
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -13.289
tors. eta vs tors. theta energy: -17.278
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: 6
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -161.568690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.568690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.568690 (E_RNA)
where:
Base-Base interactions energy: -90.177
where: short stacking energy: -52.323
Base-Backbone interact. energy: -0.000
local terms energy: -71.391392
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -15.356
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: 1
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -172.807517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.807517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.807517 (E_RNA)
where:
Base-Base interactions energy: -101.875
where: short stacking energy: -51.390
Base-Backbone interact. energy: -0.010
local terms energy: -70.923134
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -14.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -165.041695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.041695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.041695 (E_RNA)
where:
Base-Base interactions energy: -99.080
where: short stacking energy: -54.414
Base-Backbone interact. energy: -0.149
local terms energy: -65.812251
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -16.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -91.447591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.447591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.447591 (E_RNA)
where:
Base-Base interactions energy: -37.790
where: short stacking energy: -29.577
Base-Backbone interact. energy: -1.616
local terms energy: -52.042179
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -5.314
tors. eta vs tors. theta energy: -2.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -87.987935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.987935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.987935 (E_RNA)
where:
Base-Base interactions energy: -30.756
where: short stacking energy: -30.756
Base-Backbone interact. energy: -0.092
local terms energy: -57.140169
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -5.051
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: 2
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -73.694890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.694890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.694890 (E_RNA)
where:
Base-Base interactions energy: -25.772
where: short stacking energy: -21.994
Base-Backbone interact. energy: -0.143
local terms energy: -47.780075
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -12.234
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -6.260
tors. eta vs tors. theta energy: -0.179
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: 4
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -82.431505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.431505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.431505 (E_RNA)
where:
Base-Base interactions energy: -35.439
where: short stacking energy: -35.122
Base-Backbone interact. energy: -0.002
local terms energy: -46.990525
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -1.321
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: 7
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -206.246967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.246967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.246967 (E_RNA)
where:
Base-Base interactions energy: -124.515
where: short stacking energy: -73.567
Base-Backbone interact. energy: -0.009
local terms energy: -81.722446
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -20.137
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: 5
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -204.197955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.197955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.197955 (E_RNA)
where:
Base-Base interactions energy: -138.022
where: short stacking energy: -61.931
Base-Backbone interact. energy: -0.242
local terms energy: -65.934199
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -12.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -185.982621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.982621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.982621 (E_RNA)
where:
Base-Base interactions energy: -115.053
where: short stacking energy: -67.143
Base-Backbone interact. energy: -0.206
local terms energy: -70.722977
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -16.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -159.131969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.131969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.131969 (E_RNA)
where:
Base-Base interactions energy: -95.628
where: short stacking energy: -51.100
Base-Backbone interact. energy: -0.225
local terms energy: -63.278966
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -11.036
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -14.410
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: 8
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -178.635375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.635375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.635375 (E_RNA)
where:
Base-Base interactions energy: -113.732
where: short stacking energy: -61.116
Base-Backbone interact. energy: -0.038
local terms energy: -64.865046
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -11.618
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -18.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -152.679007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.679007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.679007 (E_RNA)
where:
Base-Base interactions energy: -92.737
where: short stacking energy: -53.971
Base-Backbone interact. energy: -0.087
local terms energy: -59.855466
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -4.062
tors. eta vs tors. theta energy: -14.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -80.131347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.131347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.131347 (E_RNA)
where:
Base-Base interactions energy: -28.837
where: short stacking energy: -20.134
Base-Backbone interact. energy: -0.230
local terms energy: -51.064429
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -10.886
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: 8, replica: 3
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -81.643901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.643901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.643901 (E_RNA)
where:
Base-Base interactions energy: -32.532
where: short stacking energy: -16.258
Base-Backbone interact. energy: -0.908
local terms energy: -48.204604
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -11.526
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -1.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -81.479304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.479304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.479304 (E_RNA)
where:
Base-Base interactions energy: -28.131
where: short stacking energy: -28.131
Base-Backbone interact. energy: -0.085
local terms energy: -53.262767
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -9.344
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -7.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -74.033045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.033045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.033045 (E_RNA)
where:
Base-Base interactions energy: -29.407
where: short stacking energy: -29.507
Base-Backbone interact. energy: -0.366
local terms energy: -44.260619
where:
bonds (distance) C4'-P energy: -10.801
bonds (distance) P-C4' energy: -9.883
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -9.512
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: 1, replica: 7
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -199.431528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.431528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.431528 (E_RNA)
where:
Base-Base interactions energy: -124.339
where: short stacking energy: -61.667
Base-Backbone interact. energy: -0.027
local terms energy: -75.064880
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -19.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -189.577773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.577773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.577773 (E_RNA)
where:
Base-Base interactions energy: -111.725
where: short stacking energy: -64.616
Base-Backbone interact. energy: -0.091
local terms energy: -77.761613
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -18.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -206.732712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.732712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.732712 (E_RNA)
where:
Base-Base interactions energy: -133.231
where: short stacking energy: -66.856
Base-Backbone interact. energy: -0.657
local terms energy: -72.845095
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -14.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -182.932712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.932712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.932712 (E_RNA)
where:
Base-Base interactions energy: -116.019
where: short stacking energy: -59.563
Base-Backbone interact. energy: -0.157
local terms energy: -66.756438
where:
bonds (distance) C4'-P energy: -9.662
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -17.030
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: 6
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -135.428951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.428951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.428951 (E_RNA)
where:
Base-Base interactions energy: -78.370
where: short stacking energy: -32.398
Base-Backbone interact. energy: -0.405
local terms energy: -56.654570
where:
bonds (distance) C4'-P energy: -9.260
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -5.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -146.498690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.498690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.498690 (E_RNA)
where:
Base-Base interactions energy: -84.844
where: short stacking energy: -44.431
Base-Backbone interact. energy: -0.337
local terms energy: -61.317749
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -8.163
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: 7, replica: 10
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -85.193824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.193824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.193824 (E_RNA)
where:
Base-Base interactions energy: -34.753
where: short stacking energy: -24.391
Base-Backbone interact. energy: -0.054
local terms energy: -50.387068
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -6.478
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: 8, replica: 4
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -85.622336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.622336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.622336 (E_RNA)
where:
Base-Base interactions energy: -29.166
where: short stacking energy: -29.166
Base-Backbone interact. energy: 0.444
local terms energy: -56.900018
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -4.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -81.863296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.863296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.863296 (E_RNA)
where:
Base-Base interactions energy: -38.736
where: short stacking energy: -23.936
Base-Backbone interact. energy: 1.015
local terms energy: -44.142764
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -10.384
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -0.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -74.223268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.223268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.223268 (E_RNA)
where:
Base-Base interactions energy: -29.107
where: short stacking energy: -29.107
Base-Backbone interact. energy: -0.114
local terms energy: -45.002667
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -6.791
flat angles P-C4'-P energy: -3.404
tors. eta vs tors. theta energy: -11.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -195.410627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.410627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.410627 (E_RNA)
where:
Base-Base interactions energy: -124.873
where: short stacking energy: -70.279
Base-Backbone interact. energy: -0.015
local terms energy: -70.522495
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -18.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -184.583372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.583372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.583372 (E_RNA)
where:
Base-Base interactions energy: -111.064
where: short stacking energy: -63.688
Base-Backbone interact. energy: -0.020
local terms energy: -73.499737
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -12.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -195.021398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.021398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.021398 (E_RNA)
where:
Base-Base interactions energy: -116.130
where: short stacking energy: -62.384
Base-Backbone interact. energy: -0.096
local terms energy: -78.795428
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -20.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -164.100545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.100545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.100545 (E_RNA)
where:
Base-Base interactions energy: -101.090
where: short stacking energy: -53.538
Base-Backbone interact. energy: -0.314
local terms energy: -62.696194
where:
bonds (distance) C4'-P energy: -11.492
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -12.030
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: 1
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -153.022167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.022167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.022167 (E_RNA)
where:
Base-Base interactions energy: -89.568
where: short stacking energy: -54.706
Base-Backbone interact. energy: -0.244
local terms energy: -63.209225
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -8.475
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -14.548
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: 6
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -143.479605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.479605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.479605 (E_RNA)
where:
Base-Base interactions energy: -76.690
where: short stacking energy: -46.759
Base-Backbone interact. energy: -0.263
local terms energy: -66.526846
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -6.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -101.994241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.994241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.994241 (E_RNA)
where:
Base-Base interactions energy: -42.187
where: short stacking energy: -42.187
Base-Backbone interact. energy: -0.053
local terms energy: -59.754585
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -9.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -88.025951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.025951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.025951 (E_RNA)
where:
Base-Base interactions energy: -32.624
where: short stacking energy: -32.624
Base-Backbone interact. energy: -0.163
local terms energy: -55.238724
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -2.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -84.417370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.417370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.417370 (E_RNA)
where:
Base-Base interactions energy: -35.187
where: short stacking energy: -21.924
Base-Backbone interact. energy: -0.300
local terms energy: -48.930460
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -1.951
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: 10, replica: 2
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -82.189545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.189545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.189545 (E_RNA)
where:
Base-Base interactions energy: -31.907
where: short stacking energy: -31.907
Base-Backbone interact. energy: -0.425
local terms energy: -49.857839
where:
bonds (distance) C4'-P energy: -10.136
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -2.302
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: 7
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -193.094321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.094321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.094321 (E_RNA)
where:
Base-Base interactions energy: -117.402
where: short stacking energy: -60.531
Base-Backbone interact. energy: -0.095
local terms energy: -75.597671
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -13.571
tors. eta vs tors. theta energy: -18.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -190.226667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.226667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.226667 (E_RNA)
where:
Base-Base interactions energy: -118.001
where: short stacking energy: -66.280
Base-Backbone interact. energy: -0.942
local terms energy: -71.283540
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -15.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -185.134956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.134956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.134956 (E_RNA)
where:
Base-Base interactions energy: -109.125
where: short stacking energy: -57.934
Base-Backbone interact. energy: -0.010
local terms energy: -76.000093
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -17.239
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -14.255
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: 8
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -163.622006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.622006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.622006 (E_RNA)
where:
Base-Base interactions energy: -102.319
where: short stacking energy: -63.457
Base-Backbone interact. energy: -0.040
local terms energy: -61.262686
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -10.014
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -15.195
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: 5, replica: 1
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -175.148373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.148373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.148373 (E_RNA)
where:
Base-Base interactions energy: -114.688
where: short stacking energy: -46.506
Base-Backbone interact. energy: -0.613
local terms energy: -59.847479
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -10.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -161.444342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.444342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.444342 (E_RNA)
where:
Base-Base interactions energy: -97.777
where: short stacking energy: -41.912
Base-Backbone interact. energy: -0.448
local terms energy: -63.219434
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -10.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -88.542212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.542212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.542212 (E_RNA)
where:
Base-Base interactions energy: -32.116
where: short stacking energy: -32.116
Base-Backbone interact. energy: -0.066
local terms energy: -56.360375
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -10.363
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -11.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -83.347566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.347566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.347566 (E_RNA)
where:
Base-Base interactions energy: -34.993
where: short stacking energy: -19.919
Base-Backbone interact. energy: -0.116
local terms energy: -48.238525
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: 1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -88.306432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.306432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.306432 (E_RNA)
where:
Base-Base interactions energy: -29.139
where: short stacking energy: -29.139
Base-Backbone interact. energy: 0.215
local terms energy: -59.382988
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -10.459
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -6.410
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: 2
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -78.793622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.793622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.793622 (E_RNA)
where:
Base-Base interactions energy: -24.688
where: short stacking energy: -23.823
Base-Backbone interact. energy: 1.067
local terms energy: -55.172450
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -0.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -197.532801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.532801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.532801 (E_RNA)
where:
Base-Base interactions energy: -128.957
where: short stacking energy: -62.914
Base-Backbone interact. energy: -0.246
local terms energy: -68.330330
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -15.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -194.527320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.527320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.527320 (E_RNA)
where:
Base-Base interactions energy: -117.799
where: short stacking energy: -62.922
Base-Backbone interact. energy: -0.043
local terms energy: -76.685109
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -13.627
tors. eta vs tors. theta energy: -18.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -165.210171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.210171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.210171 (E_RNA)
where:
Base-Base interactions energy: -96.009
where: short stacking energy: -55.665
Base-Backbone interact. energy: -0.184
local terms energy: -69.017179
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -16.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -177.569410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.569410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.569410 (E_RNA)
where:
Base-Base interactions energy: -104.316
where: short stacking energy: -63.704
Base-Backbone interact. energy: -0.517
local terms energy: -72.735862
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -14.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -163.708769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.708769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.708769 (E_RNA)
where:
Base-Base interactions energy: -93.386
where: short stacking energy: -52.965
Base-Backbone interact. energy: -0.026
local terms energy: -70.296970
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -14.287
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: 6
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -151.037066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.037066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.037066 (E_RNA)
where:
Base-Base interactions energy: -94.073
where: short stacking energy: -35.238
Base-Backbone interact. energy: -0.560
local terms energy: -56.403671
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -8.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -104.212493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.212493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.212493 (E_RNA)
where:
Base-Base interactions energy: -43.645
where: short stacking energy: -43.645
Base-Backbone interact. energy: 0.733
local terms energy: -61.300202
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -10.909
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: 8, replica: 3
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -80.828383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.828383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.828383 (E_RNA)
where:
Base-Base interactions energy: -29.229
where: short stacking energy: -27.554
Base-Backbone interact. energy: -0.325
local terms energy: -51.274725
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -11.082
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -4.971
tors. eta vs tors. theta energy: -7.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -84.240846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.240846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.240846 (E_RNA)
where:
Base-Base interactions energy: -25.927
where: short stacking energy: -19.391
Base-Backbone interact. energy: -0.633
local terms energy: -57.680538
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -1.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -78.009945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.009945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.009945 (E_RNA)
where:
Base-Base interactions energy: -32.260
where: short stacking energy: -32.260
Base-Backbone interact. energy: 0.754
local terms energy: -46.504063
where:
bonds (distance) C4'-P energy: -8.020
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -3.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -195.824645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.824645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.824645 (E_RNA)
where:
Base-Base interactions energy: -122.862
where: short stacking energy: -63.781
Base-Backbone interact. energy: -0.408
local terms energy: -72.555385
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -18.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -187.077426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.077426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.077426 (E_RNA)
where:
Base-Base interactions energy: -113.187
where: short stacking energy: -60.873
Base-Backbone interact. energy: -0.095
local terms energy: -73.795066
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -17.159
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -13.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -167.589268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.589268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.589268 (E_RNA)
where:
Base-Base interactions energy: -96.115
where: short stacking energy: -57.034
Base-Backbone interact. energy: -0.091
local terms energy: -71.383405
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -14.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -180.369258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.369258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.369258 (E_RNA)
where:
Base-Base interactions energy: -115.970
where: short stacking energy: -60.496
Base-Backbone interact. energy: -0.636
local terms energy: -63.762553
where:
bonds (distance) C4'-P energy: -8.224
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -15.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -164.053469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.053469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.053469 (E_RNA)
where:
Base-Base interactions energy: -90.220
where: short stacking energy: -48.864
Base-Backbone interact. energy: -0.620
local terms energy: -73.214247
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -19.151
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -14.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -139.617458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.617458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.617458 (E_RNA)
where:
Base-Base interactions energy: -81.754
where: short stacking energy: -46.504
Base-Backbone interact. energy: 0.406
local terms energy: -58.268940
where:
bonds (distance) C4'-P energy: -9.357
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -10.871
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: 7, replica: 4
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -97.997262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.997262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.997262 (E_RNA)
where:
Base-Base interactions energy: -37.955
where: short stacking energy: -37.955
Base-Backbone interact. energy: -0.115
local terms energy: -59.927386
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -7.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -75.338583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.338583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.338583 (E_RNA)
where:
Base-Base interactions energy: -24.474
where: short stacking energy: -24.399
Base-Backbone interact. energy: -0.244
local terms energy: -50.620356
where:
bonds (distance) C4'-P energy: -9.060
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -3.043
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: 2
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -78.865440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.865440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.865440 (E_RNA)
where:
Base-Base interactions energy: -32.373
where: short stacking energy: -30.870
Base-Backbone interact. energy: -0.104
local terms energy: -46.388345
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -0.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -73.317834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.317834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.317834 (E_RNA)
where:
Base-Base interactions energy: -20.666
where: short stacking energy: -20.666
Base-Backbone interact. energy: -0.062
local terms energy: -52.589483
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -9.307
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: 1, replica: 8
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -190.365201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.365201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.365201 (E_RNA)
where:
Base-Base interactions energy: -115.313
where: short stacking energy: -54.567
Base-Backbone interact. energy: -0.806
local terms energy: -74.246186
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -12.672
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: 5
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -203.501397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.501397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.501397 (E_RNA)
where:
Base-Base interactions energy: -128.472
where: short stacking energy: -63.425
Base-Backbone interact. energy: -0.055
local terms energy: -74.974418
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -17.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -183.785949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.785949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.785949 (E_RNA)
where:
Base-Base interactions energy: -107.811
where: short stacking energy: -57.546
Base-Backbone interact. energy: -0.031
local terms energy: -75.944513
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -17.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -175.039811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.039811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.039811 (E_RNA)
where:
Base-Base interactions energy: -105.644
where: short stacking energy: -59.411
Base-Backbone interact. energy: -1.393
local terms energy: -68.003081
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -9.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -173.911270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.911270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.911270 (E_RNA)
where:
Base-Base interactions energy: -105.742
where: short stacking energy: -58.819
Base-Backbone interact. energy: 0.485
local terms energy: -68.654512
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -9.806
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -17.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -171.144115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.144115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.144115 (E_RNA)
where:
Base-Base interactions energy: -105.116
where: short stacking energy: -55.979
Base-Backbone interact. energy: -0.508
local terms energy: -65.519993
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -7.367
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: 7, replica: 3
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -96.421544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.421544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.421544 (E_RNA)
where:
Base-Base interactions energy: -35.594
where: short stacking energy: -26.310
Base-Backbone interact. energy: -1.464
local terms energy: -59.364139
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -6.542
tors. eta vs tors. theta energy: -11.798
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: 8, replica: 4
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -93.526002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.526002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.526002 (E_RNA)
where:
Base-Base interactions energy: -35.919
where: short stacking energy: -33.518
Base-Backbone interact. energy: -0.093
local terms energy: -57.513994
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -7.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -88.430912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.430912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.430912 (E_RNA)
where:
Base-Base interactions energy: -38.027
where: short stacking energy: -38.027
Base-Backbone interact. energy: -0.115
local terms energy: -50.289237
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -8.996
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: -8.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -77.733465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.733465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.733465 (E_RNA)
where:
Base-Base interactions energy: -33.647
where: short stacking energy: -24.211
Base-Backbone interact. energy: 1.030
local terms energy: -45.116406
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: 1.845
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: 8
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -187.606921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.606921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.606921 (E_RNA)
where:
Base-Base interactions energy: -117.517
where: short stacking energy: -56.401
Base-Backbone interact. energy: -1.090
local terms energy: -68.999877
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -15.817
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -16.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -200.560801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.560801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.560801 (E_RNA)
where:
Base-Base interactions energy: -132.582
where: short stacking energy: -63.968
Base-Backbone interact. energy: -0.154
local terms energy: -67.824847
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -15.245
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: 9
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -182.811525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.811525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.811525 (E_RNA)
where:
Base-Base interactions energy: -118.310
where: short stacking energy: -62.500
Base-Backbone interact. energy: -0.001
local terms energy: -64.501108
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -16.958
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: 1
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -176.730502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.730502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.730502 (E_RNA)
where:
Base-Base interactions energy: -107.992
where: short stacking energy: -54.336
Base-Backbone interact. energy: -0.095
local terms energy: -68.643550
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -10.767
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -18.906
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: 7
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -153.783799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.783799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.783799 (E_RNA)
where:
Base-Base interactions energy: -90.701
where: short stacking energy: -45.748
Base-Backbone interact. energy: -0.121
local terms energy: -62.962251
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -8.723
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: 6
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -167.314046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.314046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.314046 (E_RNA)
where:
Base-Base interactions energy: -100.885
where: short stacking energy: -50.913
Base-Backbone interact. energy: -0.025
local terms energy: -66.404904
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -11.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -94.541843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.541843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.541843 (E_RNA)
where:
Base-Base interactions energy: -39.269
where: short stacking energy: -29.854
Base-Backbone interact. energy: -0.217
local terms energy: -55.056348
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -11.093
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -4.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -87.007210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.007210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.007210 (E_RNA)
where:
Base-Base interactions energy: -41.070
where: short stacking energy: -29.119
Base-Backbone interact. energy: -0.523
local terms energy: -45.414360
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -7.463
flat angles P-C4'-P energy: -4.421
tors. eta vs tors. theta energy: -3.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -91.848863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.848863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.848863 (E_RNA)
where:
Base-Base interactions energy: -38.739
where: short stacking energy: -23.271
Base-Backbone interact. energy: -0.356
local terms energy: -52.753532
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -9.376
flat angles P-C4'-P energy: -6.121
tors. eta vs tors. theta energy: -3.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -72.446076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.446076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.446076 (E_RNA)
where:
Base-Base interactions energy: -23.487
where: short stacking energy: -21.072
Base-Backbone interact. energy: -0.263
local terms energy: -48.695952
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -9.521
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -3.527
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: 5
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -203.794169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.794169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.794169 (E_RNA)
where:
Base-Base interactions energy: -121.118
where: short stacking energy: -69.105
Base-Backbone interact. energy: -0.186
local terms energy: -82.490831
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -14.322
tors. eta vs tors. theta energy: -18.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -192.459137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.459137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.459137 (E_RNA)
where:
Base-Base interactions energy: -114.097
where: short stacking energy: -63.539
Base-Backbone interact. energy: -0.007
local terms energy: -78.354384
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -18.409
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -22.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -177.284734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.284734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.284734 (E_RNA)
where:
Base-Base interactions energy: -108.644
where: short stacking energy: -63.926
Base-Backbone interact. energy: -0.022
local terms energy: -68.619279
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -16.163
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: 9
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -184.673956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.673956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.673956 (E_RNA)
where:
Base-Base interactions energy: -110.277
where: short stacking energy: -55.851
Base-Backbone interact. energy: -0.092
local terms energy: -74.305223
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -15.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -166.084219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.084219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.084219 (E_RNA)
where:
Base-Base interactions energy: -102.966
where: short stacking energy: -54.416
Base-Backbone interact. energy: -0.777
local terms energy: -62.341618
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -5.387
tors. eta vs tors. theta energy: -12.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -136.821060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.821060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.821060 (E_RNA)
where:
Base-Base interactions energy: -83.380
where: short stacking energy: -42.027
Base-Backbone interact. energy: 0.030
local terms energy: -53.470890
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -11.321
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -4.595
tors. eta vs tors. theta energy: -4.813
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: 7, replica: 4
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -146.751325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.751325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.751325 (E_RNA)
where:
Base-Base interactions energy: -89.944
where: short stacking energy: -35.500
Base-Backbone interact. energy: -0.033
local terms energy: -56.774885
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -10.767
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -11.020
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: 3
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -82.705044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.705044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.705044 (E_RNA)
where:
Base-Base interactions energy: -22.189
where: short stacking energy: -18.178
Base-Backbone interact. energy: -0.329
local terms energy: -60.186941
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -3.530
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: 2
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -90.605549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.605549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.605549 (E_RNA)
where:
Base-Base interactions energy: -42.929
where: short stacking energy: -34.564
Base-Backbone interact. energy: -0.105
local terms energy: -47.571349
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -6.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -77.448621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.448621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.448621 (E_RNA)
where:
Base-Base interactions energy: -33.049
where: short stacking energy: -33.049
Base-Backbone interact. energy: 0.411
local terms energy: -44.810457
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -9.375
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -1.243
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: 485
Temperature: 0.900000
Total energy: -201.021297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.021297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.021297 (E_RNA)
where:
Base-Base interactions energy: -127.588
where: short stacking energy: -70.511
Base-Backbone interact. energy: -0.238
local terms energy: -73.195711
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -17.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -193.641272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.641272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.641272 (E_RNA)
where:
Base-Base interactions energy: -121.855
where: short stacking energy: -61.435
Base-Backbone interact. energy: -0.121
local terms energy: -71.665069
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -20.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -190.685696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.685696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.685696 (E_RNA)
where:
Base-Base interactions energy: -112.398
where: short stacking energy: -58.734
Base-Backbone interact. energy: -0.488
local terms energy: -77.800052
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -17.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -187.574818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.574818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.574818 (E_RNA)
where:
Base-Base interactions energy: -116.579
where: short stacking energy: -66.410
Base-Backbone interact. energy: -0.002
local terms energy: -70.994013
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -19.572
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: 9
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -154.678327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.678327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.678327 (E_RNA)
where:
Base-Base interactions energy: -91.615
where: short stacking energy: -45.860
Base-Backbone interact. energy: -0.248
local terms energy: -62.815010
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -8.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -173.485870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.485870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.485870 (E_RNA)
where:
Base-Base interactions energy: -111.826
where: short stacking energy: -56.680
Base-Backbone interact. energy: -0.007
local terms energy: -61.652501
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -10.016
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -14.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -143.282100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.282100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.282100 (E_RNA)
where:
Base-Base interactions energy: -82.660
where: short stacking energy: -36.564
Base-Backbone interact. energy: -0.238
local terms energy: -60.384337
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -4.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -83.583166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.583166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.583166 (E_RNA)
where:
Base-Base interactions energy: -38.731
where: short stacking energy: -23.073
Base-Backbone interact. energy: -0.064
local terms energy: -44.788137
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -12.329
flat angles C4'-P-C4' energy: -10.788
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: 2.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -79.096001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.096001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.096001 (E_RNA)
where:
Base-Base interactions energy: -29.406
where: short stacking energy: -19.921
Base-Backbone interact. energy: -0.139
local terms energy: -49.550442
where:
bonds (distance) C4'-P energy: -9.560
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -2.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -82.364636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.364636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.364636 (E_RNA)
where:
Base-Base interactions energy: -35.452
where: short stacking energy: -31.425
Base-Backbone interact. energy: -0.230
local terms energy: -46.682728
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -11.775
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -1.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -191.819143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.819143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.819143 (E_RNA)
where:
Base-Base interactions energy: -118.156
where: short stacking energy: -60.116
Base-Backbone interact. energy: -0.238
local terms energy: -73.425055
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -18.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -190.656635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.656635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.656635 (E_RNA)
where:
Base-Base interactions energy: -117.715
where: short stacking energy: -64.049
Base-Backbone interact. energy: 0.073
local terms energy: -73.015511
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -17.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -191.664072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.664072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.664072 (E_RNA)
where:
Base-Base interactions energy: -109.789
where: short stacking energy: -60.060
Base-Backbone interact. energy: -0.042
local terms energy: -81.832569
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -22.267
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: 4, replica: 1
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -184.628788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.628788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.628788 (E_RNA)
where:
Base-Base interactions energy: -110.348
where: short stacking energy: -63.468
Base-Backbone interact. energy: -0.092
local terms energy: -74.188659
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -18.113
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -16.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -174.629382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.629382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.629382 (E_RNA)
where:
Base-Base interactions energy: -107.786
where: short stacking energy: -57.693
Base-Backbone interact. energy: -0.107
local terms energy: -66.736755
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -14.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -142.444143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.444143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.444143 (E_RNA)
where:
Base-Base interactions energy: -85.353
where: short stacking energy: -47.417
Base-Backbone interact. energy: -0.002
local terms energy: -57.088770
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -10.049
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: 7
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -125.351118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.351118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.351118 (E_RNA)
where:
Base-Base interactions energy: -69.222
where: short stacking energy: -34.143
Base-Backbone interact. energy: -0.251
local terms energy: -55.878849
where:
bonds (distance) C4'-P energy: -8.685
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -3.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -88.017609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.017609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.017609 (E_RNA)
where:
Base-Base interactions energy: -31.779
where: short stacking energy: -29.792
Base-Backbone interact. energy: -0.083
local terms energy: -56.155665
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -10.073
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -4.254
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: 2
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -74.427598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.427598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.427598 (E_RNA)
where:
Base-Base interactions energy: -26.508
where: short stacking energy: -23.881
Base-Backbone interact. energy: 1.646
local terms energy: -49.565468
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -10.753
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -4.172
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: 10
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -89.458673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.458673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.458673 (E_RNA)
where:
Base-Base interactions energy: -36.841
where: short stacking energy: -36.841
Base-Backbone interact. energy: -0.065
local terms energy: -52.552526
where:
bonds (distance) C4'-P energy: -9.301
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -4.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -198.722925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.722925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.722925 (E_RNA)
where:
Base-Base interactions energy: -121.527
where: short stacking energy: -66.124
Base-Backbone interact. energy: -0.016
local terms energy: -77.180525
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -20.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -185.175132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.175132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.175132 (E_RNA)
where:
Base-Base interactions energy: -114.243
where: short stacking energy: -61.004
Base-Backbone interact. energy: -0.150
local terms energy: -70.781471
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -15.197
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: 5
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -189.630122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.630122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.630122 (E_RNA)
where:
Base-Base interactions energy: -110.836
where: short stacking energy: -61.815
Base-Backbone interact. energy: -0.002
local terms energy: -78.791891
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -22.852
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: 1
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -193.369524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.369524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.369524 (E_RNA)
where:
Base-Base interactions energy: -121.868
where: short stacking energy: -62.728
Base-Backbone interact. energy: -0.334
local terms energy: -71.167513
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -21.030
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: 4
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -169.716031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.716031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.716031 (E_RNA)
where:
Base-Base interactions energy: -108.745
where: short stacking energy: -60.668
Base-Backbone interact. energy: -0.068
local terms energy: -60.903077
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -5.635
tors. eta vs tors. theta energy: -13.860
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: 7
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -142.787696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.787696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.787696 (E_RNA)
where:
Base-Base interactions energy: -88.548
where: short stacking energy: -46.053
Base-Backbone interact. energy: -0.179
local terms energy: -54.060744
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -6.015
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -7.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -155.741422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.741422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.741422 (E_RNA)
where:
Base-Base interactions energy: -92.112
where: short stacking energy: -47.619
Base-Backbone interact. energy: -0.182
local terms energy: -63.447080
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -9.670
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: 2
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -78.330035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.330035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.330035 (E_RNA)
where:
Base-Base interactions energy: -30.066
where: short stacking energy: -28.587
Base-Backbone interact. energy: -0.054
local terms energy: -48.209561
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: 3.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -81.235164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.235164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.235164 (E_RNA)
where:
Base-Base interactions energy: -31.378
where: short stacking energy: -20.847
Base-Backbone interact. energy: -0.010
local terms energy: -49.847417
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -9.764
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -3.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -76.961303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.961303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.961303 (E_RNA)
where:
Base-Base interactions energy: -24.002
where: short stacking energy: -19.324
Base-Backbone interact. energy: -0.113
local terms energy: -52.847064
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -10.413
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -2.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -195.892491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.892491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.892491 (E_RNA)
where:
Base-Base interactions energy: -118.570
where: short stacking energy: -64.922
Base-Backbone interact. energy: -0.291
local terms energy: -77.031322
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -13.387
tors. eta vs tors. theta energy: -18.832
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: 8
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -193.998724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.998724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.998724 (E_RNA)
where:
Base-Base interactions energy: -122.549
where: short stacking energy: -65.206
Base-Backbone interact. energy: -0.011
local terms energy: -71.438810
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -17.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -175.438028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.438028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.438028 (E_RNA)
where:
Base-Base interactions energy: -101.272
where: short stacking energy: -65.219
Base-Backbone interact. energy: -0.070
local terms energy: -74.096197
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -17.159
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -16.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -191.906355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.906355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.906355 (E_RNA)
where:
Base-Base interactions energy: -116.079
where: short stacking energy: -59.577
Base-Backbone interact. energy: -0.002
local terms energy: -75.825185
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -14.731
tors. eta vs tors. theta energy: -18.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -176.925327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.925327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.925327 (E_RNA)
where:
Base-Base interactions energy: -109.558
where: short stacking energy: -66.738
Base-Backbone interact. energy: -0.018
local terms energy: -67.348895
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -9.581
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -19.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -160.892613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.892613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.892613 (E_RNA)
where:
Base-Base interactions energy: -99.710
where: short stacking energy: -49.156
Base-Backbone interact. energy: -0.026
local terms energy: -61.156840
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -9.759
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -13.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -108.281699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.281699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.281699 (E_RNA)
where:
Base-Base interactions energy: -61.113
where: short stacking energy: -36.871
Base-Backbone interact. energy: -1.128
local terms energy: -46.039993
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -11.865
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -6.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -155.472901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.472901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.472901 (E_RNA)
where:
Base-Base interactions energy: -101.033
where: short stacking energy: -51.774
Base-Backbone interact. energy: -0.067
local terms energy: -54.373523
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -9.230
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -9.680
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: 9, replica: 10
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -87.904749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.904749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.904749 (E_RNA)
where:
Base-Base interactions energy: -36.932
where: short stacking energy: -19.717
Base-Backbone interact. energy: -0.243
local terms energy: -50.729861
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -2.934
tors. eta vs tors. theta energy: -3.096
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: 10, replica: 3
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -80.858394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.858394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.858394 (E_RNA)
where:
Base-Base interactions energy: -30.386
where: short stacking energy: -24.571
Base-Backbone interact. energy: -0.627
local terms energy: -49.845217
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -5.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -196.145460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.145460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.145460 (E_RNA)
where:
Base-Base interactions energy: -120.495
where: short stacking energy: -60.766
Base-Backbone interact. energy: -0.862
local terms energy: -74.789238
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -17.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -191.910639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.910639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.910639 (E_RNA)
where:
Base-Base interactions energy: -109.295
where: short stacking energy: -70.117
Base-Backbone interact. energy: -0.004
local terms energy: -82.611642
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -22.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -189.461769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.461769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.461769 (E_RNA)
where:
Base-Base interactions energy: -124.140
where: short stacking energy: -50.112
Base-Backbone interact. energy: -0.060
local terms energy: -65.261588
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -13.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -176.378772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.378772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.378772 (E_RNA)
where:
Base-Base interactions energy: -105.538
where: short stacking energy: -62.900
Base-Backbone interact. energy: 0.251
local terms energy: -71.092361
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -19.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -160.451365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.451365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.451365 (E_RNA)
where:
Base-Base interactions energy: -101.628
where: short stacking energy: -52.041
Base-Backbone interact. energy: -0.141
local terms energy: -58.681853
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -6.074
tors. eta vs tors. theta energy: -12.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -151.803059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.803059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.803059 (E_RNA)
where:
Base-Base interactions energy: -85.456
where: short stacking energy: -40.838
Base-Backbone interact. energy: -0.003
local terms energy: -66.343771
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -11.304
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: 7, replica: 2
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -107.282001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.282001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.282001 (E_RNA)
where:
Base-Base interactions energy: -58.093
where: short stacking energy: -28.984
Base-Backbone interact. energy: -0.684
local terms energy: -48.504991
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -7.725
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: 8, replica: 9
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -114.956846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.956846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.956846 (E_RNA)
where:
Base-Base interactions energy: -61.186
where: short stacking energy: -33.286
Base-Backbone interact. energy: -0.178
local terms energy: -53.592777
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -9.298
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: 9, replica: 10
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -77.018053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.018053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.018053 (E_RNA)
where:
Base-Base interactions energy: -27.986
where: short stacking energy: -27.986
Base-Backbone interact. energy: -0.445
local terms energy: -48.586467
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -0.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -68.827696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.827696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.827696 (E_RNA)
where:
Base-Base interactions energy: -22.940
where: short stacking energy: -13.651
Base-Backbone interact. energy: -0.089
local terms energy: -45.799157
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: 0.342
tors. eta vs tors. theta energy: -1.716
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: 1, replica: 1
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -197.845259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.845259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.845259 (E_RNA)
where:
Base-Base interactions energy: -117.823
where: short stacking energy: -67.493
Base-Backbone interact. energy: 1.867
local terms energy: -81.889032
where:
bonds (distance) C4'-P energy: -18.218
bonds (distance) P-C4' energy: -16.860
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -18.537
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: 2, replica: 6
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -196.647665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.647665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.647665 (E_RNA)
where:
Base-Base interactions energy: -120.555
where: short stacking energy: -59.984
Base-Backbone interact. energy: -0.610
local terms energy: -75.482313
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -18.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -167.579321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.579321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.579321 (E_RNA)
where:
Base-Base interactions energy: -102.479
where: short stacking energy: -59.243
Base-Backbone interact. energy: -0.002
local terms energy: -65.098428
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -16.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -170.778398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.778398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.778398 (E_RNA)
where:
Base-Base interactions energy: -112.604
where: short stacking energy: -55.663
Base-Backbone interact. energy: -0.093
local terms energy: -58.081406
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -10.150
flat angles C4'-P-C4' energy: -10.369
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -15.893
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: 5, replica: 5
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -127.837079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.837079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.837079 (E_RNA)
where:
Base-Base interactions energy: -69.346
where: short stacking energy: -35.054
Base-Backbone interact. energy: -0.053
local terms energy: -58.438037
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -5.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -130.732942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.732942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.732942 (E_RNA)
where:
Base-Base interactions energy: -68.329
where: short stacking energy: -42.229
Base-Backbone interact. energy: -0.542
local terms energy: -61.862571
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -7.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -98.071009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.071009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.071009 (E_RNA)
where:
Base-Base interactions energy: -39.140
where: short stacking energy: -38.744
Base-Backbone interact. energy: -0.066
local terms energy: -58.865396
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -6.014
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: 2
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -80.901170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.901170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.901170 (E_RNA)
where:
Base-Base interactions energy: -36.431
where: short stacking energy: -31.004
Base-Backbone interact. energy: -0.005
local terms energy: -44.465202
where:
bonds (distance) C4'-P energy: -8.247
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -7.399
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: 9, replica: 3
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -73.182525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.182525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.182525 (E_RNA)
where:
Base-Base interactions energy: -32.335
where: short stacking energy: -24.967
Base-Backbone interact. energy: -0.148
local terms energy: -40.699692
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -9.546
flat angles P-C4'-P energy: -3.619
tors. eta vs tors. theta energy: -0.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -79.257329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.257329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.257329 (E_RNA)
where:
Base-Base interactions energy: -27.773
where: short stacking energy: -26.657
Base-Backbone interact. energy: -0.249
local terms energy: -51.235532
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -3.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -197.959186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.959186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.959186 (E_RNA)
where:
Base-Base interactions energy: -126.124
where: short stacking energy: -59.418
Base-Backbone interact. energy: -0.441
local terms energy: -71.393780
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -14.345
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: 4
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -170.869206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.869206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.869206 (E_RNA)
where:
Base-Base interactions energy: -106.549
where: short stacking energy: -47.266
Base-Backbone interact. energy: -0.112
local terms energy: -64.207714
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -6.023
tors. eta vs tors. theta energy: -11.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -186.832642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.832642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.832642 (E_RNA)
where:
Base-Base interactions energy: -113.107
where: short stacking energy: -57.755
Base-Backbone interact. energy: -0.008
local terms energy: -73.717247
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -16.600
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: 491
Temperature: 1.050000
Total energy: -153.531717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.531717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.531717 (E_RNA)
where:
Base-Base interactions energy: -95.259
where: short stacking energy: -42.870
Base-Backbone interact. energy: -0.235
local terms energy: -58.038252
where:
bonds (distance) C4'-P energy: -9.135
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -10.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -155.695866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.695866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.695866 (E_RNA)
where:
Base-Base interactions energy: -104.243
where: short stacking energy: -46.630
Base-Backbone interact. energy: -0.107
local terms energy: -51.345833
where:
bonds (distance) C4'-P energy: -8.494
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -3.283
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: 6, replica: 7
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -140.714065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.714065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.714065 (E_RNA)
where:
Base-Base interactions energy: -78.417
where: short stacking energy: -37.262
Base-Backbone interact. energy: -0.009
local terms energy: -62.287753
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -6.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -80.467439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.467439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.467439 (E_RNA)
where:
Base-Base interactions energy: -33.058
where: short stacking energy: -20.594
Base-Backbone interact. energy: 0.551
local terms energy: -47.960660
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -6.323
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: 8, replica: 3
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -80.192861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.192861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.192861 (E_RNA)
where:
Base-Base interactions energy: -29.605
where: short stacking energy: -22.613
Base-Backbone interact. energy: -0.074
local terms energy: -50.513760
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: -4.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -87.202668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.202668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.202668 (E_RNA)
where:
Base-Base interactions energy: -32.983
where: short stacking energy: -28.530
Base-Backbone interact. energy: -0.004
local terms energy: -54.215064
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -5.188
tors. eta vs tors. theta energy: -4.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -76.175774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.175774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.175774 (E_RNA)
where:
Base-Base interactions energy: -31.083
where: short stacking energy: -21.515
Base-Backbone interact. energy: -0.077
local terms energy: -45.015098
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -3.179
tors. eta vs tors. theta energy: -0.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -188.769302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.769302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.769302 (E_RNA)
where:
Base-Base interactions energy: -119.340
where: short stacking energy: -69.137
Base-Backbone interact. energy: -0.002
local terms energy: -69.427445
where:
bonds (distance) C4'-P energy: -7.443
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -19.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -192.059094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.059094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.059094 (E_RNA)
where:
Base-Base interactions energy: -117.336
where: short stacking energy: -68.947
Base-Backbone interact. energy: -0.096
local terms energy: -74.626411
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -17.060
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -21.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -169.936988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.936988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.936988 (E_RNA)
where:
Base-Base interactions energy: -103.559
where: short stacking energy: -58.085
Base-Backbone interact. energy: 0.030
local terms energy: -66.408187
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -3.438
tors. eta vs tors. theta energy: -17.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -161.751449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.751449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.751449 (E_RNA)
where:
Base-Base interactions energy: -88.824
where: short stacking energy: -52.291
Base-Backbone interact. energy: -0.341
local terms energy: -72.587342
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -14.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -153.627958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.627958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.627958 (E_RNA)
where:
Base-Base interactions energy: -87.648
where: short stacking energy: -39.973
Base-Backbone interact. energy: -0.011
local terms energy: -65.968125
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -12.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -156.467926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.467926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.467926 (E_RNA)
where:
Base-Base interactions energy: -93.146
where: short stacking energy: -53.161
Base-Backbone interact. energy: -0.007
local terms energy: -63.314407
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -13.684
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: 3
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -116.626803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.626803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.626803 (E_RNA)
where:
Base-Base interactions energy: -62.257
where: short stacking energy: -32.036
Base-Backbone interact. energy: -0.121
local terms energy: -54.248862
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -10.275
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -5.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -80.023022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.023022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.023022 (E_RNA)
where:
Base-Base interactions energy: -28.530
where: short stacking energy: -28.530
Base-Backbone interact. energy: -0.011
local terms energy: -51.481799
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -0.799
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: 492
Temperature: 1.300000
Total energy: -77.817401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.817401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.817401 (E_RNA)
where:
Base-Base interactions energy: -34.420
where: short stacking energy: -24.512
Base-Backbone interact. energy: -0.281
local terms energy: -43.115593
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -7.416
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -0.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -76.901360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.901360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.901360 (E_RNA)
where:
Base-Base interactions energy: -22.409
where: short stacking energy: -21.531
Base-Backbone interact. energy: -0.100
local terms energy: -54.392242
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -5.957
tors. eta vs tors. theta energy: -3.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -206.095794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.095794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.095794 (E_RNA)
where:
Base-Base interactions energy: -129.602
where: short stacking energy: -68.356
Base-Backbone interact. energy: -0.006
local terms energy: -76.488701
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -20.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -199.163613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.163613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.163613 (E_RNA)
where:
Base-Base interactions energy: -122.950
where: short stacking energy: -69.796
Base-Backbone interact. energy: -0.013
local terms energy: -76.200612
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -20.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -183.440130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.440130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.440130 (E_RNA)
where:
Base-Base interactions energy: -112.196
where: short stacking energy: -64.994
Base-Backbone interact. energy: -0.534
local terms energy: -70.709698
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -18.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -170.539861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.539861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.539861 (E_RNA)
where:
Base-Base interactions energy: -99.483
where: short stacking energy: -58.430
Base-Backbone interact. energy: -0.028
local terms energy: -71.029097
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -14.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -153.185102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.185102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.185102 (E_RNA)
where:
Base-Base interactions energy: -87.568
where: short stacking energy: -46.015
Base-Backbone interact. energy: -1.436
local terms energy: -64.180364
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -8.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -148.908064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.908064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.908064 (E_RNA)
where:
Base-Base interactions energy: -92.764
where: short stacking energy: -50.361
Base-Backbone interact. energy: -0.302
local terms energy: -55.841826
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -6.093
tors. eta vs tors. theta energy: -9.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -93.278234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.278234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.278234 (E_RNA)
where:
Base-Base interactions energy: -35.938
where: short stacking energy: -34.837
Base-Backbone interact. energy: -0.121
local terms energy: -57.219905
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -5.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -94.664153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.664153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.664153 (E_RNA)
where:
Base-Base interactions energy: -38.617
where: short stacking energy: -38.617
Base-Backbone interact. energy: -0.342
local terms energy: -55.705382
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -6.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -74.885674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.885674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.885674 (E_RNA)
where:
Base-Base interactions energy: -27.969
where: short stacking energy: -19.800
Base-Backbone interact. energy: -0.385
local terms energy: -46.531876
where:
bonds (distance) C4'-P energy: -6.266
bonds (distance) P-C4' energy: -17.940
flat angles C4'-P-C4' energy: -7.294
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -5.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -77.650574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.650574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.650574 (E_RNA)
where:
Base-Base interactions energy: -22.467
where: short stacking energy: -21.986
Base-Backbone interact. energy: -0.599
local terms energy: -54.584623
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -4.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -200.591294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.591294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.591294 (E_RNA)
where:
Base-Base interactions energy: -126.598
where: short stacking energy: -66.767
Base-Backbone interact. energy: -0.236
local terms energy: -73.757165
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -14.627
tors. eta vs tors. theta energy: -20.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -197.292206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.292206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.292206 (E_RNA)
where:
Base-Base interactions energy: -123.179
where: short stacking energy: -64.658
Base-Backbone interact. energy: 0.159
local terms energy: -74.272588
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -22.293
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: 3, replica: 1
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -187.518505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.518505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.518505 (E_RNA)
where:
Base-Base interactions energy: -121.425
where: short stacking energy: -62.403
Base-Backbone interact. energy: -0.018
local terms energy: -66.075870
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -11.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -178.402040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.402040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.402040 (E_RNA)
where:
Base-Base interactions energy: -96.616
where: short stacking energy: -58.728
Base-Backbone interact. energy: -0.123
local terms energy: -81.662699
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -19.245
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -22.950
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: 8
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -159.145822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.145822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.145822 (E_RNA)
where:
Base-Base interactions energy: -95.834
where: short stacking energy: -48.271
Base-Backbone interact. energy: -0.873
local terms energy: -62.439570
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -8.580
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -15.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -133.307201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.307201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.307201 (E_RNA)
where:
Base-Base interactions energy: -73.288
where: short stacking energy: -45.133
Base-Backbone interact. energy: -1.025
local terms energy: -58.993440
where:
bonds (distance) C4'-P energy: -6.962
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -7.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -90.361221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.361221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.361221 (E_RNA)
where:
Base-Base interactions energy: -29.448
where: short stacking energy: -28.641
Base-Backbone interact. energy: 3.564
local terms energy: -64.477035
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -7.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -80.536681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.536681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.536681 (E_RNA)
where:
Base-Base interactions energy: -27.064
where: short stacking energy: -17.110
Base-Backbone interact. energy: -0.147
local terms energy: -53.324760
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -8.019
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: 0.077
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: 9, replica: 2
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -87.517018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.517018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.517018 (E_RNA)
where:
Base-Base interactions energy: -35.377
where: short stacking energy: -34.989
Base-Backbone interact. energy: -0.090
local terms energy: -52.050607
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -5.567
tors. eta vs tors. theta energy: -3.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -77.443187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.443187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.443187 (E_RNA)
where:
Base-Base interactions energy: -26.481
where: short stacking energy: -26.481
Base-Backbone interact. energy: -0.091
local terms energy: -50.871770
where:
bonds (distance) C4'-P energy: -8.652
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -5.411
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: 5
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -194.791240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.791240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.791240 (E_RNA)
where:
Base-Base interactions energy: -120.265
where: short stacking energy: -66.813
Base-Backbone interact. energy: -0.962
local terms energy: -73.564495
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -21.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -202.816790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.816790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.816790 (E_RNA)
where:
Base-Base interactions energy: -128.459
where: short stacking energy: -60.161
Base-Backbone interact. energy: -0.121
local terms energy: -74.236122
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -18.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -174.025012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.025012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.025012 (E_RNA)
where:
Base-Base interactions energy: -113.843
where: short stacking energy: -51.810
Base-Backbone interact. energy: -0.755
local terms energy: -59.426537
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -7.144
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: 4, replica: 7
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -174.761303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.761303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.761303 (E_RNA)
where:
Base-Base interactions energy: -106.468
where: short stacking energy: -54.771
Base-Backbone interact. energy: -0.040
local terms energy: -68.253073
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -13.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -177.485685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.485685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.485685 (E_RNA)
where:
Base-Base interactions energy: -109.643
where: short stacking energy: -56.848
Base-Backbone interact. energy: -0.822
local terms energy: -67.020952
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -14.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -142.521924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.521924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.521924 (E_RNA)
where:
Base-Base interactions energy: -80.189
where: short stacking energy: -44.628
Base-Backbone interact. energy: -0.112
local terms energy: -62.221606
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -9.051
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: 7, replica: 3
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -102.113444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.113444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.113444 (E_RNA)
where:
Base-Base interactions energy: -48.800
where: short stacking energy: -42.036
Base-Backbone interact. energy: 0.051
local terms energy: -53.364296
where:
bonds (distance) C4'-P energy: -5.227
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -9.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -84.400292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.400292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.400292 (E_RNA)
where:
Base-Base interactions energy: -34.929
where: short stacking energy: -24.310
Base-Backbone interact. energy: 0.882
local terms energy: -50.353682
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -0.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -123.300827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.300827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.300827 (E_RNA)
where:
Base-Base interactions energy: -58.974
where: short stacking energy: -25.025
Base-Backbone interact. energy: -0.210
local terms energy: -64.116432
where:
bonds (distance) C4'-P energy: -14.146
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -10.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -74.309848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.309848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.309848 (E_RNA)
where:
Base-Base interactions energy: -25.848
where: short stacking energy: -24.397
Base-Backbone interact. energy: -0.246
local terms energy: -48.216079
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -8.568
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -2.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -187.927542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.927542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.927542 (E_RNA)
where:
Base-Base interactions energy: -117.982
where: short stacking energy: -65.326
Base-Backbone interact. energy: -0.867
local terms energy: -69.078592
where:
bonds (distance) C4'-P energy: -8.291
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -19.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -184.071297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.071297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.071297 (E_RNA)
where:
Base-Base interactions energy: -106.494
where: short stacking energy: -59.843
Base-Backbone interact. energy: -0.103
local terms energy: -77.473674
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -19.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -166.443590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.443590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.443590 (E_RNA)
where:
Base-Base interactions energy: -99.778
where: short stacking energy: -51.080
Base-Backbone interact. energy: -0.008
local terms energy: -66.657662
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -13.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -169.713982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.713982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.713982 (E_RNA)
where:
Base-Base interactions energy: -104.301
where: short stacking energy: -56.346
Base-Backbone interact. energy: -0.379
local terms energy: -65.034572
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -9.017
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: 5, replica: 6
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -161.347376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.347376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.347376 (E_RNA)
where:
Base-Base interactions energy: -94.110
where: short stacking energy: -49.738
Base-Backbone interact. energy: -0.023
local terms energy: -67.214227
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -13.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -168.889214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.889214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.889214 (E_RNA)
where:
Base-Base interactions energy: -106.473
where: short stacking energy: -56.650
Base-Backbone interact. energy: -0.587
local terms energy: -61.829143
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -11.747
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: 7, replica: 10
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -99.107274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.107274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.107274 (E_RNA)
where:
Base-Base interactions energy: -42.566
where: short stacking energy: -37.020
Base-Backbone interact. energy: -0.198
local terms energy: -56.343306
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -6.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -88.383434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.383434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.383434 (E_RNA)
where:
Base-Base interactions energy: -32.780
where: short stacking energy: -25.637
Base-Backbone interact. energy: -0.013
local terms energy: -55.589806
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -10.447
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: 2
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -119.728713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.728713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.728713 (E_RNA)
where:
Base-Base interactions energy: -77.490
where: short stacking energy: -42.108
Base-Backbone interact. energy: -0.028
local terms energy: -42.210731
where:
bonds (distance) C4'-P energy: 1.020
bonds (distance) P-C4' energy: -11.305
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -8.475
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: 9
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -77.221535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.221535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.221535 (E_RNA)
where:
Base-Base interactions energy: -30.959
where: short stacking energy: -30.178
Base-Backbone interact. energy: -0.082
local terms energy: -46.180831
where:
bonds (distance) C4'-P energy: -7.573
bonds (distance) P-C4' energy: -12.643
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -3.950
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: 1, replica: 4
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -189.594379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.594379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.594379 (E_RNA)
where:
Base-Base interactions energy: -112.374
where: short stacking energy: -68.739
Base-Backbone interact. energy: -0.014
local terms energy: -77.205601
where:
bonds (distance) C4'-P energy: -10.522
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -22.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -185.246830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.246830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.246830 (E_RNA)
where:
Base-Base interactions energy: -108.811
where: short stacking energy: -62.970
Base-Backbone interact. energy: -0.167
local terms energy: -76.268262
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -16.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -169.898187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.898187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.898187 (E_RNA)
where:
Base-Base interactions energy: -97.409
where: short stacking energy: -59.082
Base-Backbone interact. energy: -0.273
local terms energy: -72.215426
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: -14.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -182.404567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.404567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.404567 (E_RNA)
where:
Base-Base interactions energy: -105.471
where: short stacking energy: -59.261
Base-Backbone interact. energy: -0.083
local terms energy: -76.850350
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -19.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -165.244545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.244545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.244545 (E_RNA)
where:
Base-Base interactions energy: -97.054
where: short stacking energy: -57.979
Base-Backbone interact. energy: -0.029
local terms energy: -68.161002
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -11.298
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: 8
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -154.584569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.584569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.584569 (E_RNA)
where:
Base-Base interactions energy: -101.201
where: short stacking energy: -55.037
Base-Backbone interact. energy: -0.001
local terms energy: -53.382724
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -7.726
flat angles C4'-P-C4' energy: -10.050
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -11.654
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: 10
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -95.680081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.680081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.680081 (E_RNA)
where:
Base-Base interactions energy: -42.639
where: short stacking energy: -25.708
Base-Backbone interact. energy: -0.227
local terms energy: -52.814204
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -10.397
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: 8, replica: 2
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -129.440648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.440648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.440648 (E_RNA)
where:
Base-Base interactions energy: -86.046
where: short stacking energy: -32.887
Base-Backbone interact. energy: 1.235
local terms energy: -44.630360
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -9.846
flat angles P-C4'-P energy: -5.904
tors. eta vs tors. theta energy: -3.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -81.954325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.954325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.954325 (E_RNA)
where:
Base-Base interactions energy: -24.631
where: short stacking energy: -24.078
Base-Backbone interact. energy: -0.226
local terms energy: -57.097937
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -2.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -78.571503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.571503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.571503 (E_RNA)
where:
Base-Base interactions energy: -41.587
where: short stacking energy: -34.976
Base-Backbone interact. energy: -0.011
local terms energy: -36.973901
where:
bonds (distance) C4'-P energy: -5.747
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -10.194
flat angles P-C4'-P energy: -4.384
tors. eta vs tors. theta energy: -2.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -185.748005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.748005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.748005 (E_RNA)
where:
Base-Base interactions energy: -117.858
where: short stacking energy: -63.080
Base-Backbone interact. energy: -0.008
local terms energy: -67.882675
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -14.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -188.820530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.820530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.820530 (E_RNA)
where:
Base-Base interactions energy: -115.192
where: short stacking energy: -56.624
Base-Backbone interact. energy: -0.024
local terms energy: -73.604649
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -16.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -180.418782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.418782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.418782 (E_RNA)
where:
Base-Base interactions energy: -107.246
where: short stacking energy: -65.280
Base-Backbone interact. energy: -0.004
local terms energy: -73.168765
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -16.578
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: 7
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -158.967336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.967336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.967336 (E_RNA)
where:
Base-Base interactions energy: -90.889
where: short stacking energy: -45.655
Base-Backbone interact. energy: -0.074
local terms energy: -68.004064
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -10.125
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: 8
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -167.488007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.488007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.488007 (E_RNA)
where:
Base-Base interactions energy: -94.284
where: short stacking energy: -55.559
Base-Backbone interact. energy: -0.074
local terms energy: -73.130122
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -14.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -169.176679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.176679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.176679 (E_RNA)
where:
Base-Base interactions energy: -106.234
where: short stacking energy: -59.466
Base-Backbone interact. energy: -0.002
local terms energy: -62.940820
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -11.414
flat angles P-C4'-P energy: -6.317
tors. eta vs tors. theta energy: -19.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -141.685218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.685218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.685218 (E_RNA)
where:
Base-Base interactions energy: -85.926
where: short stacking energy: -42.312
Base-Backbone interact. energy: -0.168
local terms energy: -55.591981
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -9.011
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: 10
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -82.452914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.452914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.452914 (E_RNA)
where:
Base-Base interactions energy: -36.490
where: short stacking energy: -32.136
Base-Backbone interact. energy: -0.047
local terms energy: -45.915921
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -11.254
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: -1.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -82.926382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.926382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.926382 (E_RNA)
where:
Base-Base interactions energy: -34.656
where: short stacking energy: -26.396
Base-Backbone interact. energy: 1.233
local terms energy: -49.503400
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: 0.864
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: 3
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -80.205623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.205623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.205623 (E_RNA)
where:
Base-Base interactions energy: -32.214
where: short stacking energy: -32.214
Base-Backbone interact. energy: 3.064
local terms energy: -51.056091
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -4.644
tors. eta vs tors. theta energy: -4.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -195.478563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.478563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.478563 (E_RNA)
where:
Base-Base interactions energy: -118.644
where: short stacking energy: -65.947
Base-Backbone interact. energy: -0.109
local terms energy: -76.725351
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -17.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -179.496328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.496328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.496328 (E_RNA)
where:
Base-Base interactions energy: -107.949
where: short stacking energy: -63.740
Base-Backbone interact. energy: 0.988
local terms energy: -72.535106
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -15.359
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: 5
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -183.846891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.846891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.846891 (E_RNA)
where:
Base-Base interactions energy: -109.924
where: short stacking energy: -49.418
Base-Backbone interact. energy: -0.109
local terms energy: -73.813939
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -13.710
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: 4, replica: 8
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -163.469754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.469754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.469754 (E_RNA)
where:
Base-Base interactions energy: -99.379
where: short stacking energy: -49.559
Base-Backbone interact. energy: -0.718
local terms energy: -63.372609
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -10.312
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: 7
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -145.473699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.473699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.473699 (E_RNA)
where:
Base-Base interactions energy: -84.316
where: short stacking energy: -28.119
Base-Backbone interact. energy: 0.492
local terms energy: -61.649793
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -1.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -160.248535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.248535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.248535 (E_RNA)
where:
Base-Base interactions energy: -105.448
where: short stacking energy: -55.524
Base-Backbone interact. energy: -0.097
local terms energy: -54.703776
where:
bonds (distance) C4'-P energy: -7.550
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -10.638
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -12.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -164.370424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.370424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.370424 (E_RNA)
where:
Base-Base interactions energy: -102.042
where: short stacking energy: -45.263
Base-Backbone interact. energy: -0.110
local terms energy: -62.218571
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -10.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -90.024756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.024756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.024756 (E_RNA)
where:
Base-Base interactions energy: -31.556
where: short stacking energy: -31.556
Base-Backbone interact. energy: -0.078
local terms energy: -58.390001
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -3.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -80.752902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.752902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.752902 (E_RNA)
where:
Base-Base interactions energy: -40.350
where: short stacking energy: -38.467
Base-Backbone interact. energy: -0.150
local terms energy: -40.252551
where:
bonds (distance) C4'-P energy: -7.884
bonds (distance) P-C4' energy: -11.790
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -1.270
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: 10, replica: 3
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -71.942510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.942510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.942510 (E_RNA)
where:
Base-Base interactions energy: -25.053
where: short stacking energy: -25.053
Base-Backbone interact. energy: -0.054
local terms energy: -46.834547
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -1.825
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)
out arg RESULTS//1/119-VP1-13b79d4c_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 1
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -186.341289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.341289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.341289 (E_RNA)
where:
Base-Base interactions energy: -109.288
where: short stacking energy: -60.055
Base-Backbone interact. energy: -0.581
local terms energy: -76.472733
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -15.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -190.842002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.842002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.842002 (E_RNA)
where:
Base-Base interactions energy: -122.887
where: short stacking energy: -61.517
Base-Backbone interact. energy: -0.013
local terms energy: -67.941880
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -17.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -191.104719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.104719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.104719 (E_RNA)
where:
Base-Base interactions energy: -125.160
where: short stacking energy: -58.677
Base-Backbone interact. energy: -0.405
local terms energy: -65.539524
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -16.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -184.776571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.776571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.776571 (E_RNA)
where:
Base-Base interactions energy: -114.719
where: short stacking energy: -61.706
Base-Backbone interact. energy: -0.141
local terms energy: -69.917001
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -14.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -179.637934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.637934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.637934 (E_RNA)
where:
Base-Base interactions energy: -107.542
where: short stacking energy: -61.108
Base-Backbone interact. energy: -0.098
local terms energy: -71.997636
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -18.216
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: 7
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -168.747584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.747584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.747584 (E_RNA)
where:
Base-Base interactions energy: -105.436
where: short stacking energy: -57.819
Base-Backbone interact. energy: -0.186
local terms energy: -63.125702
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -14.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -152.836549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.836549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.836549 (E_RNA)
where:
Base-Base interactions energy: -98.641
where: short stacking energy: -49.836
Base-Backbone interact. energy: -0.821
local terms energy: -53.374956
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -8.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -91.411333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.411333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.411333 (E_RNA)
where:
Base-Base interactions energy: -39.872
where: short stacking energy: -39.872
Base-Backbone interact. energy: -0.013
local terms energy: -51.526708
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -4.840
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -10.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -81.308870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.308870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.308870 (E_RNA)
where:
Base-Base interactions energy: -29.438
where: short stacking energy: -29.423
Base-Backbone interact. energy: -0.193
local terms energy: -51.678208
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -1.084
tors. eta vs tors. theta energy: -7.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -74.953427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.953427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.953427 (E_RNA)
where:
Base-Base interactions energy: -29.464
where: short stacking energy: -27.576
Base-Backbone interact. energy: -0.766
local terms energy: -44.723983
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -6.806
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -0.974
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)
DONE
DONE
DONE
DONE